Daily Papers

Genuine leather, such as the hides of cows, crocodiles, lizards and goats usually contain natural and artificial defects, like holes, fly bites, tick marks, veining, cuts, wrinkles and others. A traditional solution to identify the defects is by manual defect inspection, which involves skilled experts. It is time consuming and may incur a high error rate and results in low productivity. This paper presents a series of automatic image processing processes to perform the classification of leather defects by adopting deep learning approaches. Particularly, the leather images are first partitioned into small patches,then it undergoes a pre-processing technique, namely the Canny edge detection to enhance defect visualization. Next, artificial neural network (ANN) and convolutional neural network (CNN) are employed to extract the rich image features. The best classification result achieved is 80.3 %, evaluated on a data set that consists of 2000 samples. In addition, the performance metrics such as confusion matrix and Receiver Operating Characteristic (ROC) are reported to demonstrate the efficiency of the method proposed.

Data representation is a fundamental task in machine learning. The representation of data affects the performance of the whole machine learning system. In a long history, the representation of data is done by feature engineering, and researchers aim at designing better features for specific tasks. Recently, the rapid development of deep learning and representation learning has brought new inspiration to various domains. In natural language processing, the most widely used feature representation is the Bag-of-Words model. This model has the data sparsity problem and cannot keep the word order information. Other features such as part-of-speech tagging or more complex syntax features can only fit for specific tasks in most cases. This thesis focuses on word representation and document representation. We compare the existing systems and present our new model. First, for generating word embeddings, we make comprehensive comparisons among existing word embedding models. In terms of theory, we figure out the relationship between the two most important models, i.e., Skip-gram and GloVe. In our experiments, we analyze three key points in generating word embeddings, including the model construction, the training corpus and parameter design. We evaluate word embeddings with three types of tasks, and we argue that they cover the existing use of word embeddings. Through theory and practical experiments, we present some guidelines for how to generate a good word embedding. Second, in Chinese character or word representation. We introduce the joint training of Chinese character and word. ... Third, for document representation, we analyze the existing document representation models, including recursive NNs, recurrent NNs and convolutional NNs. We point out the drawbacks of these models and present our new model, the recurrent convolutional neural networks. ...

Neural network approaches for meta-learning distributions over functions have desirable properties such as increased flexibility and a reduced complexity of inference. Building on the successes of denoising diffusion models for generative modelling, we propose Neural Diffusion Processes (NDPs), a novel approach that learns to sample from a rich distribution over functions through its finite marginals. By introducing a custom attention block we are able to incorporate properties of stochastic processes, such as exchangeability, directly into the NDP's architecture. We empirically show that NDPs can capture functional distributions close to the true Bayesian posterior, demonstrating that they can successfully emulate the behaviour of Gaussian processes and surpass the performance of neural processes. NDPs enable a variety of downstream tasks, including regression, implicit hyperparameter marginalisation, non-Gaussian posterior prediction and global optimisation.

Deep learning approaches have demonstrated success in modeling analog audio effects. Nevertheless, challenges remain in modeling more complex effects that involve time-varying nonlinear elements, such as dynamic range compressors. Existing neural network approaches for modeling compression either ignore the device parameters, do not attain sufficient accuracy, or otherwise require large noncausal models prohibiting real-time operation. In this work, we propose a modification to temporal convolutional networks (TCNs) enabling greater efficiency without sacrificing performance. By utilizing very sparse convolutional kernels through rapidly growing dilations, our model attains a significant receptive field using fewer layers, reducing computation. Through a detailed evaluation we demonstrate our efficient and causal approach achieves state-of-the-art performance in modeling the analog LA-2A, is capable of real-time operation on CPU, and only requires 10 minutes of training data.

Recent progress in Graph Neural Networks has resulted in wide adoption by many applications, including recommendation systems. The reason for Graph Neural Networks' superiority over other approaches is that many problems in recommendation systems can be naturally modeled as graphs, where nodes can be either users or items and edges represent preference relationships. In current Graph Neural Network approaches, nodes are represented with a static vector learned at training time. This static vector might only be suitable to capture some of the nuances of users or items they define. To overcome this limitation, we propose using a recently proposed model inspired by category theory: Sheaf Neural Networks. Sheaf Neural Networks, and its connected Laplacian, can address the previous problem by associating every node (and edge) with a vector space instead than a single vector. The vector space representation is richer and allows picking the proper representation at inference time. This approach can be generalized for different related tasks on graphs and achieves state-of-the-art performance in terms of F1-Score@N in collaborative filtering and Hits@20 in link prediction. For collaborative filtering, the approach is evaluated on the MovieLens 100K with a 5.1% improvement, on MovieLens 1M with a 5.4% improvement and on Book-Crossing with a 2.8% improvement, while for link prediction on the ogbl-ddi dataset with a 1.6% refinement with respect to the respective baselines.

The heterogeneous network is a robust data abstraction that can model entities of different types interacting in various ways. Such heterogeneity brings rich semantic information but presents nontrivial challenges in aggregating the heterogeneous relationships between objects - especially those of higher-order indirect relations. Recent graph neural network approaches for representation learning on heterogeneous networks typically employ the attention mechanism, which is often only optimized for predictions based on direct links. Furthermore, even though most deep learning methods can aggregate higher-order information by building deeper models, such a scheme can diminish the degree of interpretability. To overcome these challenges, we explore an architecture - Layer-stacked ATTention Embedding (LATTE) - that automatically decomposes higher-order meta relations at each layer to extract the relevant heterogeneous neighborhood structures for each node. Additionally, by successively stacking layer representations, the learned node embedding offers a more interpretable aggregation scheme for nodes of different types at different neighborhood ranges. We conducted experiments on several benchmark heterogeneous network datasets. In both transductive and inductive node classification tasks, LATTE can achieve state-of-the-art performance compared to existing approaches, all while offering a lightweight model. With extensive experimental analyses and visualizations, the framework can demonstrate the ability to extract informative insights on heterogeneous networks.

Humans and animals have the ability to continually acquire, fine-tune, and transfer knowledge and skills throughout their lifespan. This ability, referred to as lifelong learning, is mediated by a rich set of neurocognitive mechanisms that together contribute to the development and specialization of our sensorimotor skills as well as to long-term memory consolidation and retrieval. Consequently, lifelong learning capabilities are crucial for autonomous agents interacting in the real world and processing continuous streams of information. However, lifelong learning remains a long-standing challenge for machine learning and neural network models since the continual acquisition of incrementally available information from non-stationary data distributions generally leads to catastrophic forgetting or interference. This limitation represents a major drawback for state-of-the-art deep neural network models that typically learn representations from stationary batches of training data, thus without accounting for situations in which information becomes incrementally available over time. In this review, we critically summarize the main challenges linked to lifelong learning for artificial learning systems and compare existing neural network approaches that alleviate, to different extents, catastrophic forgetting. We discuss well-established and emerging research motivated by lifelong learning factors in biological systems such as structural plasticity, memory replay, curriculum and transfer learning, intrinsic motivation, and multisensory integration.

Despite advances in learning-based methods, finding valid Lyapunov functions for nonlinear dynamical systems remains challenging. Current neural network approaches face two main issues: challenges in scalable verification and limited interpretability. To address these, we propose an end-to-end framework using transformers to construct analytical Lyapunov functions (local), which simplifies formal verification, enhances interpretability, and provides valuable insights for control engineers. Our framework consists of a transformer-based trainer that generates candidate Lyapunov functions and a falsifier that verifies candidate expressions and refines the model via risk-seeking policy gradient. Unlike Alfarano et al. (2024), which utilizes pre-training and seeks global Lyapunov functions for low-dimensional systems, our model is trained from scratch via reinforcement learning (RL) and succeeds in finding local Lyapunov functions for high-dimensional and non-polynomial systems. Given the analytical nature of the candidates, we employ efficient optimization methods for falsification during training and formal verification tools for the final verification. We demonstrate the efficiency of our approach on a range of nonlinear dynamical systems with up to ten dimensions and show that it can discover Lyapunov functions not previously identified in the control literature.

Although existing neural network approaches have achieved great success on Chinese spelling correction, there is still room to improve. The model is required to avoid over-correction and to distinguish a correct token from its phonological and visually similar ones. In this paper, we propose an error-guided correction model (EGCM) to improve Chinese spelling correction. By borrowing the powerful ability of BERT, we propose a novel zero-shot error detection method to do a preliminary detection, which guides our model to attend more on the probably wrong tokens in encoding and to avoid modifying the correct tokens in generating. Furthermore, we introduce a new loss function to integrate the error confusion set, which enables our model to distinguish easily misused tokens. Moreover, our model supports highly parallel decoding to meet real application requirements. Experiments are conducted on widely used benchmarks. Our model achieves superior performance against state-of-the-art approaches by a remarkable margin, on both the correction quality and computation speed.

Detecting if a text is humorous is a hard task to do computationally, as it usually requires linguistic and common sense insights. In machine learning, humor detection is usually modeled as a binary classification task, trained to predict if the given text is a joke or another type of text. Rather than using completely different non-humorous texts, we propose using text generation algorithms for imitating the original joke dataset to increase the difficulty for the learning algorithm. We constructed several different joke and non-joke datasets to test the humor detection abilities of different language technologies. In particular, we compare the humor detection capabilities of classic neural network approaches with the state-of-the-art Dutch language model RobBERT. In doing so, we create and compare the first Dutch humor detection systems. We found that while other language models perform well when the non-jokes came from completely different domains, RobBERT was the only one that was able to distinguish jokes from generated negative examples. This performance illustrates the usefulness of using text generation to create negative datasets for humor recognition, and also shows that transformer models are a large step forward in humor detection.

Learning to reliably perceive and understand the scene is an integral enabler for robots to operate in the real-world. This problem is inherently challenging due to the multitude of object types as well as appearance changes caused by varying illumination and weather conditions. Leveraging complementary modalities can enable learning of semantically richer representations that are resilient to such perturbations. Despite the tremendous progress in recent years, most multimodal convolutional neural network approaches directly concatenate feature maps from individual modality streams rendering the model incapable of focusing only on relevant complementary information for fusion. To address this limitation, we propose a mutimodal semantic segmentation framework that dynamically adapts the fusion of modality-specific features while being sensitive to the object category, spatial location and scene context in a self-supervised manner. Specifically, we propose an architecture consisting of two modality-specific encoder streams that fuse intermediate encoder representations into a single decoder using our proposed self-supervised model adaptation fusion mechanism which optimally combines complementary features. As intermediate representations are not aligned across modalities, we introduce an attention scheme for better correlation. In addition, we propose a computationally efficient unimodal segmentation architecture termed AdapNet++ that incorporates a new encoder with multiscale residual units and an efficient atrous spatial pyramid pooling that has a larger effective receptive field with more than 10x fewer parameters, complemented with a strong decoder with a multi-resolution supervision scheme that recovers high-resolution details. Comprehensive empirical evaluations on several benchmarks demonstrate that both our unimodal and multimodal architectures achieve state-of-the-art performance.

Recent advances in deep learning and large language models (LLMs) have facilitated the deployment of the mixture-of-experts (MoE) mechanism in the stock investment domain. While these models have demonstrated promising trading performance, they are often unimodal, neglecting the wealth of information available in other modalities, such as textual data. Moreover, the traditional neural network-based router selection mechanism fails to consider contextual and real-world nuances, resulting in suboptimal expert selection. To address these limitations, we propose LLMoE, a novel framework that employs LLMs as the router within the MoE architecture. Specifically, we replace the conventional neural network-based router with LLMs, leveraging their extensive world knowledge and reasoning capabilities to select experts based on historical price data and stock news. This approach provides a more effective and interpretable selection mechanism. Our experiments on multimodal real-world stock datasets demonstrate that LLMoE outperforms state-of-the-art MoE models and other deep neural network approaches. Additionally, the flexible architecture of LLMoE allows for easy adaptation to various downstream tasks.

We introduce Reverse Derivative Ascent: a categorical analogue of gradient based methods for machine learning. Our algorithm is defined at the level of so-called reverse differential categories. It can be used to learn the parameters of models which are expressed as morphisms of such categories. Our motivating example is boolean circuits: we show how our algorithm can be applied to such circuits by using the theory of reverse differential categories. Note our methodology allows us to learn the parameters of boolean circuits directly, in contrast to existing binarised neural network approaches. Moreover, we demonstrate its empirical value by giving experimental results on benchmark machine learning datasets.

Deep learning approaches have provided state-of-the-art performance in many applications by relying on large and overparameterized neural networks. However, such networks have been shown to be very brittle and are difficult to deploy on resource-limited platforms. Model pruning, i.e., reducing the size of the network, is a widely adopted strategy that can lead to a more robust and compact model. Many heuristics exist for model pruning, but empirical studies show that some heuristics improve performance whereas others can make models more brittle or have other side effects. This work aims to shed light on how different pruning methods alter the network's internal feature representation and the corresponding impact on model performance. To facilitate a comprehensive comparison and characterization of the high-dimensional model feature space, we introduce a visual geometric analysis of feature representations. We decomposed and evaluated a set of critical geometric concepts from the common adopted classification loss, and used them to design a visualization system to compare and highlight the impact of pruning on model performance and feature representation. The proposed tool provides an environment for in-depth comparison of pruning methods and a comprehensive understanding of how model response to common data corruption. By leveraging the proposed visualization, machine learning researchers can reveal the similarities between pruning methods and redundant in robustness evaluation benchmarks, obtain geometric insights about the differences between pruned models that achieve superior robustness performance, and identify samples that are robust or fragile to model pruning and common data corruption to model pruning and data corruption but also obtain insights and explanations on how some pruned models achieve superior robustness performance.

Graph-based collaborative filtering methods have prevailing performance for recommender systems since they can capture high-order information between users and items, in which the graphs are constructed from the observed user-item interactions that might miss links or contain spurious positive interactions in industrial scenarios. The Bayesian Graph Neural Network framework approaches this issue with generative models for the interaction graphs. The critical problem is to devise a proper family of graph generative models tailored to recommender systems. We propose an efficient generative model that jointly considers the preferences of users, the concurrence of items and some important graph structure information. Experiments on four popular benchmark datasets demonstrate the effectiveness of our proposed graph generative methods for recommender systems.

State-space models (SSMs) offer a powerful framework for dynamical system analysis, wherein the temporal dynamics of the system are assumed to be captured through the evolution of the latent states, which govern the values of the observations. This paper provides a selective review of recent advancements in deep neural network-based approaches for SSMs, and presents a unified perspective for discrete time deep state space models and continuous time ones such as latent neural Ordinary Differential and Stochastic Differential Equations. It starts with an overview of the classical maximum likelihood based approach for learning SSMs, reviews variational autoencoder as a general learning pipeline for neural network-based approaches in the presence of latent variables, and discusses in detail representative deep learning models that fall under the SSM framework. Very recent developments, where SSMs are used as standalone architectural modules for improving efficiency in sequence modeling, are also examined. Finally, examples involving mixed frequency and irregularly-spaced time series data are presented to demonstrate the advantage of SSMs in these settings.

Explanation methods facilitate the development of models that learn meaningful concepts and avoid exploiting spurious correlations. We illustrate a previously unrecognized limitation of the popular neural network explanation method Grad-CAM: as a side effect of the gradient averaging step, Grad-CAM sometimes highlights locations the model did not actually use. To solve this problem, we propose HiResCAM, a novel class-specific explanation method that is guaranteed to highlight only the locations the model used to make each prediction. We prove that HiResCAM is a generalization of CAM and explore the relationships between HiResCAM and other gradient-based explanation methods. Experiments on PASCAL VOC 2012, including crowd-sourced evaluations, illustrate that while HiResCAM's explanations faithfully reflect the model, Grad-CAM often expands the attention to create bigger and smoother visualizations. Overall, this work advances convolutional neural network explanation approaches and may aid in the development of trustworthy models for sensitive applications.

In an era of information explosion, recommender systems are vital tools to deliver personalized recommendations for users. The key of recommender systems is to forecast users' future behaviors based on previous user-item interactions. Due to their strong expressive power of capturing high-order connectivities in user-item interaction data, recent years have witnessed a rising interest in leveraging Graph Neural Networks (GNNs) to boost the prediction performance of recommender systems. Nonetheless, classic Matrix Factorization (MF) and Deep Neural Network (DNN) approaches still play an important role in real-world large-scale recommender systems due to their scalability advantages. Despite the existence of GNN-acceleration solutions, it remains an open question whether GNN-based recommender systems can scale as efficiently as classic MF and DNN methods. In this paper, we propose a Linear-Time Graph Neural Network (LTGNN) to scale up GNN-based recommender systems to achieve comparable scalability as classic MF approaches while maintaining GNNs' powerful expressiveness for superior prediction accuracy. Extensive experiments and ablation studies are presented to validate the effectiveness and scalability of the proposed algorithm. Our implementation based on PyTorch is available.

We present a system that allows for accurate, fast, and robust estimation of camera parameters and depth maps from casual monocular videos of dynamic scenes. Most conventional structure from motion and monocular SLAM techniques assume input videos that feature predominantly static scenes with large amounts of parallax. Such methods tend to produce erroneous estimates in the absence of these conditions. Recent neural network-based approaches attempt to overcome these challenges; however, such methods are either computationally expensive or brittle when run on dynamic videos with uncontrolled camera motion or unknown field of view. We demonstrate the surprising effectiveness of a deep visual SLAM framework: with careful modifications to its training and inference schemes, this system can scale to real-world videos of complex dynamic scenes with unconstrained camera paths, including videos with little camera parallax. Extensive experiments on both synthetic and real videos demonstrate that our system is significantly more accurate and robust at camera pose and depth estimation when compared with prior and concurrent work, with faster or comparable running times. See interactive results on our project page: https://mega-sam.github.io/

Multimodal learning on video and text data has been receiving growing attention from many researchers in various research tasks, including text-to-video retrieval, video-to-text retrieval, and video captioning. Although many algorithms have been proposed for those challenging tasks, most of them are developed on English language datasets. Despite Indonesian being one of the most spoken languages in the world, the research progress on the multimodal video-text with Indonesian sentences is still under-explored, likely due to the absence of the public benchmark dataset. To address this issue, we construct the first public Indonesian video-text dataset by translating English sentences from the MSVD dataset to Indonesian sentences. Using our dataset, we then train neural network models which were developed for the English video-text dataset on three tasks, i.e., text-to-video retrieval, video-to-text retrieval, and video captioning. The recent neural network-based approaches to video-text tasks often utilized a feature extractor that is primarily pretrained on an English vision-language dataset. Since the availability of the pretraining resources with Indonesian sentences is relatively limited, the applicability of those approaches to our dataset is still questionable. To overcome the lack of pretraining resources, we apply cross-lingual transfer learning by utilizing the feature extractors pretrained on the English dataset, and we then fine-tune the models on our Indonesian dataset. Our experimental results show that this approach can help to improve the performance for the three tasks on all metrics. Finally, we discuss potential future works using our dataset, inspiring further research in the Indonesian multimodal video-text tasks. We believe that our dataset and our experimental results could provide valuable contributions to the community. Our dataset is available on GitHub.

Geometric deep learning, i.e., designing neural networks to handle the ubiquitous geometric data such as point clouds and graphs, have achieved great successes in the last decade. One critical inductive bias is that the model can maintain invariance towards various transformations such as translation, rotation, and scaling. The existing graph neural network (GNN) approaches can only maintain permutation-invariance, failing to guarantee invariance with respect to other transformations. Besides GNNs, other works design sophisticated transformation-invariant layers, which are computationally expensive and difficult to be extended. To solve this problem, we revisit why the existing neural networks cannot maintain transformation invariance when handling geometric data. Our findings show that transformation-invariant and distance-preserving initial representations are sufficient to achieve transformation invariance rather than needing sophisticated neural layer designs. Motivated by these findings, we propose Transformation Invariant Neural Networks (TinvNN), a straightforward and general framework for geometric data. Specifically, we realize transformation-invariant and distance-preserving initial point representations by modifying multi-dimensional scaling before feeding the representations into neural networks. We prove that TinvNN can strictly guarantee transformation invariance, being general and flexible enough to be combined with the existing neural networks. Extensive experimental results on point cloud analysis and combinatorial optimization demonstrate the effectiveness and general applicability of our proposed method. Based on the experimental results, we advocate that TinvNN should be considered a new starting point and an essential baseline for further studies of transformation-invariant geometric deep learning.

The proliferation of video content demands efficient and flexible neural network based approaches for generating new video content. In this paper, we propose a novel approach that combines zero-shot text-to-video generation with ControlNet to improve the output of these models. Our method takes multiple sketched frames as input and generates video output that matches the flow of these frames, building upon the Text-to-Video Zero architecture and incorporating ControlNet to enable additional input conditions. By first interpolating frames between the inputted sketches and then running Text-to-Video Zero using the new interpolated frames video as the control technique, we leverage the benefits of both zero-shot text-to-video generation and the robust control provided by ControlNet. Experiments demonstrate that our method excels at producing high-quality and remarkably consistent video content that more accurately aligns with the user's intended motion for the subject within the video. We provide a comprehensive resource package, including a demo video, project website, open-source GitHub repository, and a Colab playground to foster further research and application of our proposed method.

Human gaze is a crucial cue used in various applications such as human-robot interaction and virtual reality. Recently, convolution neural network (CNN) approaches have made notable progress in predicting gaze direction. However, estimating gaze in-the-wild is still a challenging problem due to the uniqueness of eye appearance, lightning conditions, and the diversity of head pose and gaze directions. In this paper, we propose a robust CNN-based model for predicting gaze in unconstrained settings. We propose to regress each gaze angle separately to improve the per-angel prediction accuracy, which will enhance the overall gaze performance. In addition, we use two identical losses, one for each angle, to improve network learning and increase its generalization. We evaluate our model with two popular datasets collected with unconstrained settings. Our proposed model achieves state-of-the-art accuracy of 3.92{\deg} and 10.41{\deg} on MPIIGaze and Gaze360 datasets, respectively. We make our code open source at https://github.com/Ahmednull/L2CS-Net.

Conformers have recently been proposed as a promising modelling approach for automatic speech recognition (ASR), outperforming recurrent neural network-based approaches and transformers. Nevertheless, in general, the performance of these end-to-end models, especially attention-based models, is particularly degraded in the case of long utterances. To address this limitation, we propose adding a fully-differentiable memory-augmented neural network between the encoder and decoder of a conformer. This external memory can enrich the generalization for longer utterances since it allows the system to store and retrieve more information recurrently. Notably, we explore the neural Turing machine (NTM) that results in our proposed Conformer-NTM model architecture for ASR. Experimental results using Librispeech train-clean-100 and train-960 sets show that the proposed system outperforms the baseline conformer without memory for long utterances.

In the fields of Optical Character Recognition (OCR) and Natural Language Processing (NLP), integrating multilingual capabilities remains a critical challenge, especially when considering languages with complex scripts such as Arabic. This paper introduces the Comprehensive Post-OCR Parsing and Receipt Understanding Dataset (CORU), a novel dataset specifically designed to enhance OCR and information extraction from receipts in multilingual contexts involving Arabic and English. CORU consists of over 20,000 annotated receipts from diverse retail settings, including supermarkets and clothing stores, alongside 30,000 annotated images for OCR that were utilized to recognize each detected line, and 10,000 items annotated for detailed information extraction. These annotations capture essential details such as merchant names, item descriptions, total prices, receipt numbers, and dates. They are structured to support three primary computational tasks: object detection, OCR, and information extraction. We establish the baseline performance for a range of models on CORU to evaluate the effectiveness of traditional methods, like Tesseract OCR, and more advanced neural network-based approaches. These baselines are crucial for processing the complex and noisy document layouts typical of real-world receipts and for advancing the state of automated multilingual document processing. Our datasets are publicly accessible (https://github.com/Update-For-Integrated-Business-AI/CORU).

Neural network classifiers have become the de-facto choice for current "pre-train then fine-tune" paradigms of visual classification. In this paper, we investigate k-Nearest-Neighbor (k-NN) classifiers, a classical model-free learning method from the pre-deep learning era, as an augmentation to modern neural network based approaches. As a lazy learning method, k-NN simply aggregates the distance between the test image and top-k neighbors in a training set. We adopt k-NN with pre-trained visual representations produced by either supervised or self-supervised methods in two steps: (1) Leverage k-NN predicted probabilities as indications for easy vs. hard examples during training. (2) Linearly interpolate the k-NN predicted distribution with that of the augmented classifier. Via extensive experiments on a wide range of classification tasks, our study reveals the generality and flexibility of k-NN integration with additional insights: (1) k-NN achieves competitive results, sometimes even outperforming a standard linear classifier. (2) Incorporating k-NN is especially beneficial for tasks where parametric classifiers perform poorly and / or in low-data regimes. We hope these discoveries will encourage people to rethink the role of pre-deep learning, classical methods in computer vision. Our code is available at: https://github.com/KMnP/nn-revisit.

Node features and structural information of a graph are both crucial for semi-supervised node classification problems. A variety of graph neural network (GNN) based approaches have been proposed to tackle these problems, which typically determine output labels through feature aggregation. This can be problematic, as it implies conditional independence of output nodes given hidden representations, despite their direct connections in the graph. To learn the direct influence among output nodes in a graph, we propose the Explicit Pairwise Factorized Graph Neural Network (EPFGNN), which models the whole graph as a partially observed Markov Random Field. It contains explicit pairwise factors to model output-output relations and uses a GNN backbone to model input-output relations. To balance model complexity and expressivity, the pairwise factors have a shared component and a separate scaling coefficient for each edge. We apply the EM algorithm to train our model, and utilize a star-shaped piecewise likelihood for the tractable surrogate objective. We conduct experiments on various datasets, which shows that our model can effectively improve the performance for semi-supervised node classification on graphs.

The sheer size of modern neural networks makes model serving a serious computational challenge. A popular class of compression techniques overcomes this challenge by pruning or sparsifying the weights of pretrained networks. While useful, these techniques often face serious tradeoffs between computational requirements and compression quality. In this work, we propose a novel optimization-based pruning framework that considers the combined effect of pruning (and updating) multiple weights subject to a sparsity constraint. Our approach, CHITA, extends the classical Optimal Brain Surgeon framework and results in significant improvements in speed, memory, and performance over existing optimization-based approaches for network pruning. CHITA's main workhorse performs combinatorial optimization updates on a memory-friendly representation of local quadratic approximation(s) of the loss function. On a standard benchmark of pretrained models and datasets, CHITA leads to significantly better sparsity-accuracy tradeoffs than competing methods. For example, for MLPNet with only 2% of the weights retained, our approach improves the accuracy by 63% relative to the state of the art. Furthermore, when used in conjunction with fine-tuning SGD steps, our method achieves significant accuracy gains over the state-of-the-art approaches.

Recently, we proposed a novel speaker diarization method called End-to-End-Neural-Diarization-vector clustering (EEND-vector clustering) that integrates clustering-based and end-to-end neural network-based diarization approaches into one framework. The proposed method combines advantages of both frameworks, i.e. high diarization performance and handling of overlapped speech based on EEND, and robust handling of long recordings with an arbitrary number of speakers based on clustering-based approaches. However, the method was only evaluated so far on simulated 2-speaker meeting-like data. This paper is to (1) report recent advances we made to this framework, including newly introduced robust constrained clustering algorithms, and (2) experimentally show that the method can now significantly outperform competitive diarization methods such as Encoder-Decoder Attractor (EDA)-EEND, on CALLHOME data which comprises real conversational speech data including overlapped speech and an arbitrary number of speakers. By further analyzing the experimental results, this paper also discusses pros and cons of the proposed method and reveals potential for further improvement. A set of the code to reproduce the results is available at https://github.com/nttcslab-sp/EEND-vector-clustering.

Music source separation involves a large input field to model a long-term dependence of an audio signal. Previous convolutional neural network (CNN)-based approaches address the large input field modeling using sequentially down- and up-sampling feature maps or dilated convolution. In this paper, we claim the importance of a rapid growth of a receptive field and a simultaneous modeling of multi-resolution data in a single convolution layer, and propose a novel CNN architecture called densely connected dilated DenseNet (D3Net). D3Net involves a novel multi-dilated convolution that has different dilation factors in a single layer to model different resolutions simultaneously. By combining the multi-dilated convolution with DenseNet architecture, D3Net avoids the aliasing problem that exists when we naively incorporate the dilated convolution in DenseNet. Experimental results on MUSDB18 dataset show that D3Net achieves state-of-the-art performance with an average signal to distortion ratio (SDR) of 6.01 dB.

Skin disease is one of the most common types of human diseases, which may happen to everyone regardless of age, gender or race. Due to the high visual diversity, human diagnosis highly relies on personal experience; and there is a serious shortage of experienced dermatologists in many countries. To alleviate this problem, computer-aided diagnosis with state-of-the-art (SOTA) machine learning techniques would be a promising solution. In this paper, we aim at understanding the performance of convolutional neural network (CNN) based approaches. We first build two versions of skin disease datasets from Internet images: (a) Skin-10, which contains 10 common classes of skin disease with a total of 10,218 images; (b) Skin-100, which is a larger dataset that consists of 19,807 images of 100 skin disease classes. Based on these datasets, we benchmark several SOTA CNN models and show that the accuracy of skin-100 is much lower than the accuracy of skin-10. We then implement an ensemble method based on several CNN models and achieve the best accuracy of 79.01\% for Skin-10 and 53.54\% for Skin-100. We also present an object detection based approach by introducing bounding boxes into the Skin-10 dataset. Our results show that object detection can help improve the accuracy of some skin disease classes.

Neural networks have achieved remarkable performance in various application domains. Nevertheless, a large number of weights in pre-trained deep neural networks prohibit them from being deployed on smartphones and embedded systems. It is highly desirable to obtain lightweight versions of neural networks for inference in edge devices. Many cost-effective approaches were proposed to prune dense and convolutional layers that are common in deep neural networks and dominant in the parameter space. However, a unified theoretical foundation for the problem mostly is missing. In this paper, we identify the close connection between matrix spectrum learning and neural network training for dense and convolutional layers and argue that weight pruning is essentially a matrix sparsification process to preserve the spectrum. Based on the analysis, we also propose a matrix sparsification algorithm tailored for neural network pruning that yields better pruning result. We carefully design and conduct experiments to support our arguments. Hence we provide a consolidated viewpoint for neural network pruning and enhance the interpretability of deep neural networks by identifying and preserving the critical neural weights.

Obtaining versions of deep neural networks that are both highly-accurate and highly-sparse is one of the main challenges in the area of model compression, and several high-performance pruning techniques have been investigated by the community. Yet, much less is known about the interaction between sparsity and the standard stochastic optimization techniques used for training sparse networks, and most existing work uses standard dense schedules and hyperparameters for training sparse networks. In this work, we examine the impact of high sparsity on model training using the standard computer vision and natural language processing sparsity benchmarks. We begin by showing that using standard dense training recipes for sparse training is suboptimal, and results in under-training. We provide new approaches for mitigating this issue for both sparse pre-training of vision models (e.g. ResNet50/ImageNet) and sparse fine-tuning of language models (e.g. BERT/GLUE), achieving state-of-the-art results in both settings in the high-sparsity regime, and providing detailed analyses for the difficulty of sparse training in both scenarios. Our work sets a new threshold in terms of the accuracies that can be achieved under high sparsity, and should inspire further research into improving sparse model training, to reach higher accuracies under high sparsity, but also to do so efficiently.

Systems based on artificial neural networks (ANNs) have achieved state-of-the-art results in many natural language processing tasks. Although ANNs do not require manually engineered features, ANNs have many hyperparameters to be optimized. The choice of hyperparameters significantly impacts models' performances. However, the ANN hyperparameters are typically chosen by manual, grid, or random search, which either requires expert experiences or is computationally expensive. Recent approaches based on Bayesian optimization using Gaussian processes (GPs) is a more systematic way to automatically pinpoint optimal or near-optimal machine learning hyperparameters. Using a previously published ANN model yielding state-of-the-art results for dialog act classification, we demonstrate that optimizing hyperparameters using GP further improves the results, and reduces the computational time by a factor of 4 compared to a random search. Therefore it is a useful technique for tuning ANN models to yield the best performances for natural language processing tasks.

Alzheimer's disease (AD) is a chronic neurodegenerative disorder and the leading cause of dementia, significantly impacting cost, mortality, and burden worldwide. The advent of high-throughput omics technologies, such as genomics, transcriptomics, proteomics, and epigenomics, has revolutionized the molecular understanding of AD. Conventional AI approaches typically require the completion of all omics data at the outset to achieve optimal AD diagnosis, which are inefficient and may be unnecessary. To reduce the clinical cost and improve the accuracy of AD diagnosis using multi-omics data, we propose a novel staged graph convolutional network with uncertainty quantification (SGUQ). SGUQ begins with mRNA and progressively incorporates DNA methylation and miRNA data only when necessary, reducing overall costs and exposure to harmful tests. Experimental results indicate that 46.23% of the samples can be reliably predicted using only single-modal omics data (mRNA), while an additional 16.04% of the samples can achieve reliable predictions when combining two omics data types (mRNA + DNA methylation). In addition, the proposed staged SGUQ achieved an accuracy of 0.858 on ROSMAP dataset, which outperformed existing methods significantly. The proposed SGUQ can not only be applied to AD diagnosis using multi-omics data but also has the potential for clinical decision-making using multi-viewed data. Our implementation is publicly available at https://github.com/chenzhao2023/multiomicsuncertainty.

Acid mine drainage (AMD) is one of the common environmental problems in the coal mining industry that was formed by the oxidation of sulfide minerals in the overburden or waste rock. The prediction of acid generation through AMD is important to do in overburden management and planning the post-mining land use. One of the methods used to predict AMD is a lab-scale kinetic test to determine the rate of acid formation over time using representative samples in the field. However, this test requires a long-time procedure and large amount of chemical reagents lead to inefficient cost. On the other hand, there is potential for machine learning to learn the pattern behind the lab-scale kinetic test data. This study describes an approach to use artificial neural network (ANN) modeling to predict the result from lab-scale kinetic tests. Various ANN model is used based on 83 weeks experiments of lab-scale kinetic tests with 100\% potential acid-forming rock. The model approaches the monitoring of pH, ORP, conductivity, TDS, sulfate, and heavy metals (Fe and Mn). The overall Nash-Sutcliffe Efficiency (NSE) obtained in this study was 0.99 on training and validation data, indicating a strong correlation and accurate prediction compared to the actual lab-scale kinetic tests data. This show the ANN ability to learn patterns, trends, and seasonality from past data for accurate forecasting, thereby highlighting its significant contribution to solving AMD problems. This research is also expected to establish the foundation for a new approach to predict AMD, with time efficient, accurate, and cost-effectiveness in future applications.

Spatio-temporal modeling is foundational for smart city applications, yet it is often hindered by data scarcity in many cities and regions. To bridge this gap, we propose a novel generative pre-training framework, GPD, for spatio-temporal few-shot learning with urban knowledge transfer. Unlike conventional approaches that heavily rely on common feature extraction or intricate few-shot learning designs, our solution takes a novel approach by performing generative pre-training on a collection of neural network parameters optimized with data from source cities. We recast spatio-temporal few-shot learning as pre-training a generative diffusion model, which generates tailored neural networks guided by prompts, allowing for adaptability to diverse data distributions and city-specific characteristics. GPD employs a Transformer-based denoising diffusion model, which is model-agnostic to integrate with powerful spatio-temporal neural networks. By addressing challenges arising from data gaps and the complexity of generalizing knowledge across cities, our framework consistently outperforms state-of-the-art baselines on multiple real-world datasets for tasks such as traffic speed prediction and crowd flow prediction. The implementation of our approach is available: https://github.com/tsinghua-fib-lab/GPD.

This paper presents a new challenging information extraction task in the domain of materials science. We develop an annotation scheme for marking information on experiments related to solid oxide fuel cells in scientific publications, such as involved materials and measurement conditions. With this paper, we publish our annotation guidelines, as well as our SOFC-Exp corpus consisting of 45 open-access scholarly articles annotated by domain experts. A corpus and an inter-annotator agreement study demonstrate the complexity of the suggested named entity recognition and slot filling tasks as well as high annotation quality. We also present strong neural-network based models for a variety of tasks that can be addressed on the basis of our new data set. On all tasks, using BERT embeddings leads to large performance gains, but with increasing task complexity, adding a recurrent neural network on top seems beneficial. Our models will serve as competitive baselines in future work, and analysis of their performance highlights difficult cases when modeling the data and suggests promising research directions.

Accurately modeling protein 3D structure is essential for the design of functional proteins. An important sub-task of structure modeling is protein side-chain packing: predicting the conformation of side-chains (rotamers) given the protein's backbone structure and amino-acid sequence. Conventional approaches for this task rely on expensive sampling procedures over hand-crafted energy functions and rotamer libraries. Recently, several deep learning methods have been developed to tackle the problem in a data-driven way, albeit with vastly different formulations (from image-to-image translation to directly predicting atomic coordinates). Here, we frame the problem as a joint regression over the side-chains' true degrees of freedom: the dihedral chi angles. We carefully study possible objective functions for this task, while accounting for the underlying symmetries of the task. We propose Holographic Packer (H-Packer), a novel two-stage algorithm for side-chain packing built on top of two light-weight rotationally equivariant neural networks. We evaluate our method on CASP13 and CASP14 targets. H-Packer is computationally efficient and shows favorable performance against conventional physics-based algorithms and is competitive against alternative deep learning solutions.

The deep convolutional neural network (DCNN) in computer vision has given promising results. It is widely applied in many areas, from medicine, agriculture, self-driving car, biometric system, and almost all computer vision-based applications. Filters or weights are the critical elements responsible for learning in DCNN. Backpropagation has been the primary learning algorithm for DCNN and provides promising results, but the size and numbers of the filters remain hyper-parameters. Various studies have been done in the last decade on semi-supervised, self-supervised, and unsupervised methods and their properties. The effects of filter initialization, size-shape selection, and the number of filters on learning and optimization have not been investigated in a separate publication to collate all the options. Such attributes are often treated as hyper-parameters and lack mathematical understanding. Computer vision algorithms have many limitations in real-life applications, and understanding the learning process is essential to have some significant improvement. To the best of our knowledge, no separate investigation has been published discussing the filters; this is our primary motivation. This study focuses on arguments for choosing specific physical parameters of filters, initialization, and learning technic over scattered methods. The promising unsupervised approaches have been evaluated. Additionally, the limitations, current challenges, and future scope have been discussed in this paper.

State-of-the-art approaches for training Differentially Private (DP) Deep Neural Networks (DNN) face difficulties to estimate tight bounds on the sensitivity of the network's layers, and instead rely on a process of per-sample gradient clipping. This clipping process not only biases the direction of gradients but also proves costly both in memory consumption and in computation. To provide sensitivity bounds and bypass the drawbacks of the clipping process, we propose to rely on Lipschitz constrained networks. Our theoretical analysis reveals an unexplored link between the Lipschitz constant with respect to their input and the one with respect to their parameters. By bounding the Lipschitz constant of each layer with respect to its parameters, we prove that we can train these networks with privacy guarantees. Our analysis not only allows the computation of the aforementioned sensitivities at scale, but also provides guidance on how to maximize the gradient-to-noise ratio for fixed privacy guarantees. The code has been released as a Python package available at https://github.com/Algue-Rythme/lip-dp

State-of-the-art deep learning models have a parameter count that reaches into the billions. Training, storing and transferring such models is energy and time consuming, thus costly. A big part of these costs is caused by training the network. Model compression lowers storage and transfer costs, and can further make training more efficient by decreasing the number of computations in the forward and/or backward pass. Thus, compressing networks also at training time while maintaining a high performance is an important research topic. This work is a survey on methods which reduce the number of trained weights in deep learning models throughout the training. Most of the introduced methods set network parameters to zero which is called pruning. The presented pruning approaches are categorized into pruning at initialization, lottery tickets and dynamic sparse training. Moreover, we discuss methods that freeze parts of a network at its random initialization. By freezing weights, the number of trainable parameters is shrunken which reduces gradient computations and the dimensionality of the model's optimization space. In this survey we first propose dimensionality reduced training as an underlying mathematical model that covers pruning and freezing during training. Afterwards, we present and discuss different dimensionality reduced training methods.

In this paper, we explore low-power custom quantised Multi-Layer Perceptrons (MLPs) as an Intrusion Detection System (IDS) for automotive controller area network (CAN). We utilise the FINN framework from AMD/Xilinx to quantise, train and generate hardware IP of our MLP to detect denial of service (DoS) and fuzzying attacks on CAN network, using ZCU104 (XCZU7EV) FPGA as our target ECU architecture with integrated IDS capabilities. Our approach achieves significant improvements in latency (0.12 ms per-message processing latency) and inference energy consumption (0.25 mJ per inference) while achieving similar classification performance as state-of-the-art approaches in the literature.

This study addresses the challenges of multi-label text classification. The difficulties arise from imbalanced data sets, varied text lengths, and numerous subjective feature labels. Existing solutions include traditional machine learning and deep neural networks for predictions. However, both approaches have their limitations. Traditional machine learning often overlooks the associations between words, while deep neural networks, despite their better classification performance, come with increased training complexity and time. This paper proposes a method utilizing the bag-of-words model approach based on the GloVe model and the CNN-BiLSTM network. The principle is to use the word vector matrix trained by the GloVe model as the input for the text embedding layer. Given that the GloVe model requires no further training, the neural network model can be trained more efficiently. The method achieves an accuracy rate of 87.26% on the test set and an F1 score of 0.8737, showcasing promising results.

Event cameras are bio-inspired sensors that respond to local changes in light intensity and feature low latency, high energy efficiency, and high dynamic range. Meanwhile, Spiking Neural Networks (SNNs) have gained significant attention due to their remarkable efficiency and fault tolerance. By synergistically harnessing the energy efficiency inherent in event cameras and the spike-based processing capabilities of SNNs, their integration could enable ultra-low-power application scenarios, such as action recognition tasks. However, existing approaches often entail converting asynchronous events into conventional frames, leading to additional data mapping efforts and a loss of sparsity, contradicting the design concept of SNNs and event cameras. To address this challenge, we propose SpikePoint, a novel end-to-end point-based SNN architecture. SpikePoint excels at processing sparse event cloud data, effectively extracting both global and local features through a singular-stage structure. Leveraging the surrogate training method, SpikePoint achieves high accuracy with few parameters and maintains low power consumption, specifically employing the identity mapping feature extractor on diverse datasets. SpikePoint achieves state-of-the-art (SOTA) performance on four event-based action recognition datasets using only 16 timesteps, surpassing other SNN methods. Moreover, it also achieves SOTA performance across all methods on three datasets, utilizing approximately 0.3\% of the parameters and 0.5\% of power consumption employed by artificial neural networks (ANNs). These results emphasize the significance of Point Cloud and pave the way for many ultra-low-power event-based data processing applications.

We present 3DRegNet, a novel deep learning architecture for the registration of 3D scans. Given a set of 3D point correspondences, we build a deep neural network to address the following two challenges: (i) classification of the point correspondences into inliers/outliers, and (ii) regression of the motion parameters that align the scans into a common reference frame. With regard to regression, we present two alternative approaches: (i) a Deep Neural Network (DNN) registration and (ii) a Procrustes approach using SVD to estimate the transformation. Our correspondence-based approach achieves a higher speedup compared to competing baselines. We further propose the use of a refinement network, which consists of a smaller 3DRegNet as a refinement to improve the accuracy of the registration. Extensive experiments on two challenging datasets demonstrate that we outperform other methods and achieve state-of-the-art results. The code is available.

In the past few years, Differentiable Neural Architecture Search (DNAS) rapidly imposed itself as the trending approach to automate the discovery of deep neural network architectures. This rise is mainly due to the popularity of DARTS, one of the first major DNAS methods. In contrast with previous works based on Reinforcement Learning or Evolutionary Algorithms, DNAS is faster by several orders of magnitude and uses fewer computational resources. In this comprehensive survey, we focus specifically on DNAS and review recent approaches in this field. Furthermore, we propose a novel challenge-based taxonomy to classify DNAS methods. We also discuss the contributions brought to DNAS in the past few years and its impact on the global NAS field. Finally, we conclude by giving some insights into future research directions for the DNAS field.

As soon as abstract mathematical computations were adapted to computation on digital computers, the problem of efficient representation, manipulation, and communication of the numerical values in those computations arose. Strongly related to the problem of numerical representation is the problem of quantization: in what manner should a set of continuous real-valued numbers be distributed over a fixed discrete set of numbers to minimize the number of bits required and also to maximize the accuracy of the attendant computations? This perennial problem of quantization is particularly relevant whenever memory and/or computational resources are severely restricted, and it has come to the forefront in recent years due to the remarkable performance of Neural Network models in computer vision, natural language processing, and related areas. Moving from floating-point representations to low-precision fixed integer values represented in four bits or less holds the potential to reduce the memory footprint and latency by a factor of 16x; and, in fact, reductions of 4x to 8x are often realized in practice in these applications. Thus, it is not surprising that quantization has emerged recently as an important and very active sub-area of research in the efficient implementation of computations associated with Neural Networks. In this article, we survey approaches to the problem of quantizing the numerical values in deep Neural Network computations, covering the advantages/disadvantages of current methods. With this survey and its organization, we hope to have presented a useful snapshot of the current research in quantization for Neural Networks and to have given an intelligent organization to ease the evaluation of future research in this area.

Structured pruning is one of the most popular approaches to effectively compress the heavy deep neural networks (DNNs) into compact sub-networks while retaining performance. The existing methods suffer from multi-stage procedures along with significant engineering efforts and human expertise. The Only-Train-Once (OTO) series has been recently proposed to resolve the many pain points by streamlining the workflow by automatically conducting (i) search space generation, (ii) structured sparse optimization, and (iii) sub-network construction. However, the built-in sparse optimizers in the OTO series, i.e., the Half-Space Projected Gradient (HSPG) family, have limitations that require hyper-parameter tuning and the implicit controls of the sparsity exploration, consequently requires intervening by human expertise. To address such limitations, we propose a Hybrid Efficient Structured Sparse Optimizer (HESSO). HESSO could automatically and efficiently train a DNN to produce a high-performing subnetwork. Meanwhile, it is almost tuning-free and enjoys user-friendly integration for generic training applications. To address another common issue of irreversible performance collapse observed in pruning DNNs, we further propose a Corrective Redundant Identification Cycle (CRIC) for reliably identifying indispensable structures. We numerically demonstrate the efficacy of HESSO and its enhanced version HESSO-CRIC on a variety of applications ranging from computer vision to natural language processing, including large language model. The numerical results showcase that HESSO can achieve competitive even superior performance to varying state-of-the-arts and support most DNN architectures. Meanwhile, CRIC can effectively prevent the irreversible performance collapse and further enhance the performance of HESSO on certain applications. The code is available at https://github.com/microsoft/only_train_once.

In this paper, we propose XG-BoT, an explainable deep graph neural network model for botnet node detection. The proposed model comprises a botnet detector and an explainer for automatic forensics. The XG-BoT detector can effectively detect malicious botnet nodes in large-scale networks. Specifically, it utilizes a grouped reversible residual connection with a graph isomorphism network to learn expressive node representations from botnet communication graphs. The explainer, based on the GNNExplainer and saliency map in XG-BoT, can perform automatic network forensics by highlighting suspicious network flows and related botnet nodes. We evaluated XG-BoT using real-world, large-scale botnet network graph datasets. Overall, XG-BoT outperforms state-of-the-art approaches in terms of key evaluation metrics. Additionally, we demonstrate that the XG-BoT explainers can generate useful explanations for automatic network forensics.

The theory of open quantum systems lays the foundations for a substantial part of modern research in quantum science and engineering. Rooted in the dimensionality of their extended Hilbert spaces, the high computational complexity of simulating open quantum systems calls for the development of strategies to approximate their dynamics. In this paper, we present an approach for tackling open quantum system dynamics. Using an exact probabilistic formulation of quantum physics based on positive operator-valued measure (POVM), we compactly represent quantum states with autoregressive transformer neural networks; such networks bring significant algorithmic flexibility due to efficient exact sampling and tractable density. We further introduce the concept of String States to partially restore the symmetry of the autoregressive transformer neural network and improve the description of local correlations. Efficient algorithms have been developed to simulate the dynamics of the Liouvillian superoperator using a forward-backward trapezoid method and find the steady state via a variational formulation. Our approach is benchmarked on prototypical one and two-dimensional systems, finding results which closely track the exact solution and achieve higher accuracy than alternative approaches based on using Markov chain Monte Carlo to sample restricted Boltzmann machines. Our work provides general methods for understanding quantum dynamics in various contexts, as well as techniques for solving high-dimensional probabilistic differential equations in classical setups.

In this paper we present a new framework for time-series modeling that combines the best of traditional statistical models and neural networks. We focus on time-series with long-range dependencies, needed for monitoring fine granularity data (e.g. minutes, seconds, milliseconds), prevalent in operational use-cases. Traditional models, such as auto-regression fitted with least squares (Classic-AR) can model time-series with a concise and interpretable model. When dealing with long-range dependencies, Classic-AR models can become intractably slow to fit for large data. Recently, sequence-to-sequence models, such as Recurrent Neural Networks, which were originally intended for natural language processing, have become popular for time-series. However, they can be overly complex for typical time-series data and lack interpretability. A scalable and interpretable model is needed to bridge the statistical and deep learning-based approaches. As a first step towards this goal, we propose modelling AR-process dynamics using a feed-forward neural network approach, termed AR-Net. We show that AR-Net is as interpretable as Classic-AR but also scales to long-range dependencies. Our results lead to three major conclusions: First, AR-Net learns identical AR-coefficients as Classic-AR, thus being equally interpretable. Second, the computational complexity with respect to the order of the AR process, is linear for AR-Net as compared to a quadratic for Classic-AR. This makes it possible to model long-range dependencies within fine granularity data. Third, by introducing regularization, AR-Net automatically selects and learns sparse AR-coefficients. This eliminates the need to know the exact order of the AR-process and allows to learn sparse weights for a model with long-range dependencies.

This paper presents DeepTective, a deep learning approach to detect vulnerabilities in PHP source code. Our approach implements a novel hybrid technique that combines Gated Recurrent Units and Graph Convolutional Networks to detect SQLi, XSS and OSCI vulnerabilities leveraging both syntactic and semantic information. We evaluate DeepTective and compare it to the state of the art on an established synthetic dataset and on a novel real-world dataset collected from GitHub. Experimental results show that DeepTective achieves near perfect classification on the synthetic dataset, and an F1 score of 88.12% on the realistic dataset, outperforming related approaches. We validate DeepTective in the wild by discovering 4 novel vulnerabilities in established WordPress plugins.

Large pretrained models, coupled with fine-tuning, are slowly becoming established as the dominant architecture in machine learning. Even though these models offer impressive performance, their practical application is often limited by the prohibitive amount of resources required for every inference. Early-exiting dynamic neural networks (EDNN) circumvent this issue by allowing a model to make some of its predictions from intermediate layers (i.e., early-exit). Training an EDNN architecture is challenging as it consists of two intertwined components: the gating mechanism (GM) that controls early-exiting decisions and the intermediate inference modules (IMs) that perform inference from intermediate representations. As a result, most existing approaches rely on thresholding confidence metrics for the gating mechanism and strive to improve the underlying backbone network and the inference modules. Although successful, this approach has two fundamental shortcomings: 1) the GMs and the IMs are decoupled during training, leading to a train-test mismatch; and 2) the thresholding gating mechanism introduces a positive bias into the predictive probabilities, making it difficult to readily extract uncertainty information. We propose a novel architecture that connects these two modules. This leads to significant performance improvements on classification datasets and enables better uncertainty characterization capabilities.

Quantum computing holds great potential for advancing the limitations of machine learning algorithms to handle higher dimensions of data and reduce overall training parameters in deep learning (DL) models. This study uses a trainable variational quantum circuit (VQC) on a gate-based quantum computing model to investigate the potential for quantum benefit in a model-free reinforcement learning problem. Through a comprehensive investigation and evaluation of the current model and capabilities of quantum computers, we designed and trained a novel hybrid quantum neural network based on the latest Qiskit and PyTorch framework. We compared its performance with a full-classical CNN with and without an incorporated VQC. Our research provides insights into the potential of deep quantum learning to solve a maze problem and, potentially, other reinforcement learning problems. We conclude that reinforcement learning problems can be practical with reasonable training epochs. Moreover, a comparative study of full-classical and hybrid quantum neural networks is discussed to understand these two approaches' performance, advantages, and disadvantages to deep-Q learning problems, especially on larger-scale maze problems larger than 4x4.

Visual patterns represent the discernible regularity in the visual world. They capture the essential nature of visual objects or scenes. Understanding and modeling visual patterns is a fundamental problem in visual recognition that has wide ranging applications. In this paper, we study the problem of visual pattern mining and propose a novel deep neural network architecture called PatternNet for discovering these patterns that are both discriminative and representative. The proposed PatternNet leverages the filters in the last convolution layer of a convolutional neural network to find locally consistent visual patches, and by combining these filters we can effectively discover unique visual patterns. In addition, PatternNet can discover visual patterns efficiently without performing expensive image patch sampling, and this advantage provides an order of magnitude speedup compared to most other approaches. We evaluate the proposed PatternNet subjectively by showing randomly selected visual patterns which are discovered by our method and quantitatively by performing image classification with the identified visual patterns and comparing our performance with the current state-of-the-art. We also directly evaluate the quality of the discovered visual patterns by leveraging the identified patterns as proposed objects in an image and compare with other relevant methods. Our proposed network and procedure, PatterNet, is able to outperform competing methods for the tasks described.

How do humans learn language, and can the first language be learned at all? These fundamental questions are still hotly debated. In contemporary linguistics, there are two major schools of thought that give completely opposite answers. According to Chomsky's theory of universal grammar, language cannot be learned because children are not exposed to sufficient data in their linguistic environment. In contrast, usage-based models of language assume a profound relationship between language structure and language use. In particular, contextual mental processing and mental representations are assumed to have the cognitive capacity to capture the complexity of actual language use at all levels. The prime example is syntax, i.e., the rules by which words are assembled into larger units such as sentences. Typically, syntactic rules are expressed as sequences of word classes. However, it remains unclear whether word classes are innate, as implied by universal grammar, or whether they emerge during language acquisition, as suggested by usage-based approaches. Here, we address this issue from a machine learning and natural language processing perspective. In particular, we trained an artificial deep neural network on predicting the next word, provided sequences of consecutive words as input. Subsequently, we analyzed the emerging activation patterns in the hidden layers of the neural network. Strikingly, we find that the internal representations of nine-word input sequences cluster according to the word class of the tenth word to be predicted as output, even though the neural network did not receive any explicit information about syntactic rules or word classes during training. This surprising result suggests, that also in the human brain, abstract representational categories such as word classes may naturally emerge as a consequence of predictive coding and processing during language acquisition.

Autonomous driving in high-speed racing, as opposed to urban environments, presents significant challenges in scene understanding due to rapid changes in the track environment. Traditional sequential network approaches may struggle to meet the real-time knowledge and decision-making demands of an autonomous agent covering large displacements in a short time. This paper proposes a novel baseline architecture for developing sophisticated models capable of true hardware-enabled parallelism, achieving neural processing speeds that mirror the agent's high velocity. The proposed model (Parallel Perception Network (PPN)) consists of two independent neural networks, segmentation and reconstruction networks, running parallelly on separate accelerated hardware. The model takes raw 3D point cloud data from the LiDAR sensor as input and converts it into a 2D Bird's Eye View Map on both devices. Each network independently extracts its input features along space and time dimensions and produces outputs parallelly. The proposed method's model is trained on a system with two NVIDIA T4 GPUs, using a combination of loss functions, including edge preservation, and demonstrates a 2x speedup in model inference time compared to a sequential configuration. Implementation is available at: https://github.com/suwesh/Parallel-Perception-Network. Learned parameters of the trained networks are provided at: https://huggingface.co/suwesh/ParallelPerceptionNetwork.

We address the challenging problem of efficient inference across many devices and resource constraints, especially on edge devices. Conventional approaches either manually design or use neural architecture search (NAS) to find a specialized neural network and train it from scratch for each case, which is computationally prohibitive (causing CO_2 emission as much as 5 cars' lifetime) thus unscalable. In this work, we propose to train a once-for-all (OFA) network that supports diverse architectural settings by decoupling training and search, to reduce the cost. We can quickly get a specialized sub-network by selecting from the OFA network without additional training. To efficiently train OFA networks, we also propose a novel progressive shrinking algorithm, a generalized pruning method that reduces the model size across many more dimensions than pruning (depth, width, kernel size, and resolution). It can obtain a surprisingly large number of sub-networks (> 10^{19}) that can fit different hardware platforms and latency constraints while maintaining the same level of accuracy as training independently. On diverse edge devices, OFA consistently outperforms state-of-the-art (SOTA) NAS methods (up to 4.0% ImageNet top1 accuracy improvement over MobileNetV3, or same accuracy but 1.5x faster than MobileNetV3, 2.6x faster than EfficientNet w.r.t measured latency) while reducing many orders of magnitude GPU hours and CO_2 emission. In particular, OFA achieves a new SOTA 80.0% ImageNet top-1 accuracy under the mobile setting (<600M MACs). OFA is the winning solution for the 3rd Low Power Computer Vision Challenge (LPCVC), DSP classification track and the 4th LPCVC, both classification track and detection track. Code and 50 pre-trained models (for many devices & many latency constraints) are released at https://github.com/mit-han-lab/once-for-all.

Techniques for automatically designing deep neural network architectures such as reinforcement learning based approaches have recently shown promising results. However, their success is based on vast computational resources (e.g. hundreds of GPUs), making them difficult to be widely used. A noticeable limitation is that they still design and train each network from scratch during the exploration of the architecture space, which is highly inefficient. In this paper, we propose a new framework toward efficient architecture search by exploring the architecture space based on the current network and reusing its weights. We employ a reinforcement learning agent as the meta-controller, whose action is to grow the network depth or layer width with function-preserving transformations. As such, the previously validated networks can be reused for further exploration, thus saves a large amount of computational cost. We apply our method to explore the architecture space of the plain convolutional neural networks (no skip-connections, branching etc.) on image benchmark datasets (CIFAR-10, SVHN) with restricted computational resources (5 GPUs). Our method can design highly competitive networks that outperform existing networks using the same design scheme. On CIFAR-10, our model without skip-connections achieves 4.23\% test error rate, exceeding a vast majority of modern architectures and approaching DenseNet. Furthermore, by applying our method to explore the DenseNet architecture space, we are able to achieve more accurate networks with fewer parameters.

Neural networks that process the parameters of other neural networks find applications in domains as diverse as classifying implicit neural representations, generating neural network weights, and predicting generalization errors. However, existing approaches either overlook the inherent permutation symmetry in the neural network or rely on intricate weight-sharing patterns to achieve equivariance, while ignoring the impact of the network architecture itself. In this work, we propose to represent neural networks as computational graphs of parameters, which allows us to harness powerful graph neural networks and transformers that preserve permutation symmetry. Consequently, our approach enables a single model to encode neural computational graphs with diverse architectures. We showcase the effectiveness of our method on a wide range of tasks, including classification and editing of implicit neural representations, predicting generalization performance, and learning to optimize, while consistently outperforming state-of-the-art methods. The source code is open-sourced at https://github.com/mkofinas/neural-graphs.

Time series are the primary data type used to record dynamic system measurements and generated in great volume by both physical sensors and online processes (virtual sensors). Time series analytics is therefore crucial to unlocking the wealth of information implicit in available data. With the recent advancements in graph neural networks (GNNs), there has been a surge in GNN-based approaches for time series analysis. These approaches can explicitly model inter-temporal and inter-variable relationships, which traditional and other deep neural network-based methods struggle to do. In this survey, we provide a comprehensive review of graph neural networks for time series analysis (GNN4TS), encompassing four fundamental dimensions: forecasting, classification, anomaly detection, and imputation. Our aim is to guide designers and practitioners to understand, build applications, and advance research of GNN4TS. At first, we provide a comprehensive task-oriented taxonomy of GNN4TS. Then, we present and discuss representative research works and introduce mainstream applications of GNN4TS. A comprehensive discussion of potential future research directions completes the survey. This survey, for the first time, brings together a vast array of knowledge on GNN-based time series research, highlighting foundations, practical applications, and opportunities of graph neural networks for time series analysis.

In this paper we propose a new method of speaker diarization that employs a deep learning architecture to learn speaker embeddings. In contrast to the traditional approaches that build their speaker embeddings using manually hand-crafted spectral features, we propose to train for this purpose a recurrent convolutional neural network applied directly on magnitude spectrograms. To compare our approach with the state of the art, we collect and release for the public an additional dataset of over 6 hours of fully annotated broadcast material. The results of our evaluation on the new dataset and three other benchmark datasets show that our proposed method significantly outperforms the competitors and reduces diarization error rate by a large margin of over 30% with respect to the baseline.

The problem of automatically generating a computer program from some specification has been studied since the early days of AI. Recently, two competing approaches for automatic program learning have received significant attention: (1) neural program synthesis, where a neural network is conditioned on input/output (I/O) examples and learns to generate a program, and (2) neural program induction, where a neural network generates new outputs directly using a latent program representation. Here, for the first time, we directly compare both approaches on a large-scale, real-world learning task. We additionally contrast to rule-based program synthesis, which uses hand-crafted semantics to guide the program generation. Our neural models use a modified attention RNN to allow encoding of variable-sized sets of I/O pairs. Our best synthesis model achieves 92% accuracy on a real-world test set, compared to the 34% accuracy of the previous best neural synthesis approach. The synthesis model also outperforms a comparable induction model on this task, but we more importantly demonstrate that the strength of each approach is highly dependent on the evaluation metric and end-user application. Finally, we show that we can train our neural models to remain very robust to the type of noise expected in real-world data (e.g., typos), while a highly-engineered rule-based system fails entirely.

Deep learning has demonstrated tremendous success in variety of application domains in the past few years. This new field of machine learning has been growing rapidly and applied in most of the application domains with some new modalities of applications, which helps to open new opportunity. There are different methods have been proposed on different category of learning approaches, which includes supervised, semi-supervised and un-supervised learning. The experimental results show state-of-the-art performance of deep learning over traditional machine learning approaches in the field of Image Processing, Computer Vision, Speech Recognition, Machine Translation, Art, Medical imaging, Medical information processing, Robotics and control, Bio-informatics, Natural Language Processing (NLP), Cyber security, and many more. This report presents a brief survey on development of DL approaches, including Deep Neural Network (DNN), Convolutional Neural Network (CNN), Recurrent Neural Network (RNN) including Long Short Term Memory (LSTM) and Gated Recurrent Units (GRU), Auto-Encoder (AE), Deep Belief Network (DBN), Generative Adversarial Network (GAN), and Deep Reinforcement Learning (DRL). In addition, we have included recent development of proposed advanced variant DL techniques based on the mentioned DL approaches. Furthermore, DL approaches have explored and evaluated in different application domains are also included in this survey. We have also comprised recently developed frameworks, SDKs, and benchmark datasets that are used for implementing and evaluating deep learning approaches. There are some surveys have published on Deep Learning in Neural Networks [1, 38] and a survey on RL [234]. However, those papers have not discussed the individual advanced techniques for training large scale deep learning models and the recently developed method of generative models [1].

The growing computational demands posed by increasingly number of neural network's parameters necessitate low-memory-consumption training approaches. Previous memory reduction techniques, such as Low-Rank Adaptation (LoRA) and ReLoRA, suffer from the limitation of low rank and saddle point issues, particularly during intensive tasks like pre-training. In this paper, we propose Sparse Spectral Training (SST), an advanced training methodology that updates all singular values and selectively updates singular vectors of network weights, thereby optimizing resource usage while closely approximating full-rank training. SST refines the training process by employing a targeted updating strategy for singular vectors, which is determined by a multinomial sampling method weighted by the significance of the singular values, ensuring both high performance and memory reduction. Through comprehensive testing on both Euclidean and hyperbolic neural networks across various tasks, including natural language generation, machine translation, node classification and link prediction, SST demonstrates its capability to outperform existing memory reduction training methods and is comparable with full-rank training in some cases. On OPT-125M, with rank equating to 8.3% of embedding dimension, SST reduces the perplexity gap to full-rank training by 67.6%, demonstrating a significant reduction of the performance loss with prevalent low-rank methods. This approach offers a strong alternative to traditional training techniques, paving the way for more efficient and scalable neural network training solutions.

For fair academic recruitment at universities and research institutions, determination of the right measure based on globally accepted academic quality features is a highly delicate, challenging, but quite important problem to be addressed. In a series of two papers, we consider the modeling part for academic quality quantification in the first paper, in this paper, and the case studies part in the second paper. For academic quality quantification modeling, we develop two computational frameworks which can be used to construct a decision-support tool: (i) an optimization-based framework and (ii) a Siamese network (a type of artificial neural network)-based framework. The output of both models is a single index called Academic Quality Index (AQI) which is a measure of the overall academic quality. The data of academics from first-class and average-class world universities, based on Times Higher Education World University Rankings and QS World University Rankings, are assumed as the reference data for tuning model parameters.

Deep neural networks are powerful predictors for a variety of tasks. However, they do not capture uncertainty directly. Using neural network ensembles to quantify uncertainty is competitive with approaches based on Bayesian neural networks while benefiting from better computational scalability. However, building ensembles of neural networks is a challenging task because, in addition to choosing the right neural architecture or hyperparameters for each member of the ensemble, there is an added cost of training each model. We propose AutoDEUQ, an automated approach for generating an ensemble of deep neural networks. Our approach leverages joint neural architecture and hyperparameter search to generate ensembles. We use the law of total variance to decompose the predictive variance of deep ensembles into aleatoric (data) and epistemic (model) uncertainties. We show that AutoDEUQ outperforms probabilistic backpropagation, Monte Carlo dropout, deep ensemble, distribution-free ensembles, and hyper ensemble methods on a number of regression benchmarks.

Audio production style transfer is the task of processing an input to impart stylistic elements from a reference recording. Existing approaches often train a neural network to estimate control parameters for a set of audio effects. However, these approaches are limited in that they can only control a fixed set of effects, where the effects must be differentiable or otherwise employ specialized training techniques. In this work, we introduce ST-ITO, Style Transfer with Inference-Time Optimization, an approach that instead searches the parameter space of an audio effect chain at inference. This method enables control of arbitrary audio effect chains, including unseen and non-differentiable effects. Our approach employs a learned metric of audio production style, which we train through a simple and scalable self-supervised pretraining strategy, along with a gradient-free optimizer. Due to the limited existing evaluation methods for audio production style transfer, we introduce a multi-part benchmark to evaluate audio production style metrics and style transfer systems. This evaluation demonstrates that our audio representation better captures attributes related to audio production and enables expressive style transfer via control of arbitrary audio effects.

Knowledge transfer between heterogeneous source and target networks and tasks has received a lot of attention in recent times as large amounts of quality labeled data can be difficult to obtain in many applications. Existing approaches typically constrain the target deep neural network (DNN) feature representations to be close to the source DNNs feature representations, which can be limiting. We, in this paper, propose a novel adversarial multi-armed bandit approach that automatically learns to route source representations to appropriate target representations following which they are combined in meaningful ways to produce accurate target models. We see upwards of 5\% accuracy improvements compared with the state-of-the-art knowledge transfer methods on four benchmark (target) image datasets CUB200, Stanford Dogs, MIT67, and Stanford40 where the source dataset is ImageNet. We qualitatively analyze the goodness of our transfer scheme by showing individual examples of the important features focused on by our target network at different layers compared with the (closest) competitors. We also observe that our improvement over other methods is higher for smaller target datasets making it an effective tool for small data applications that may benefit from transfer learning.

Graph representation learning resurges as a trending research subject owing to the widespread use of deep learning for Euclidean data, which inspire various creative designs of neural networks in the non-Euclidean domain, particularly graphs. With the success of these graph neural networks (GNN) in the static setting, we approach further practical scenarios where the graph dynamically evolves. Existing approaches typically resort to node embeddings and use a recurrent neural network (RNN, broadly speaking) to regulate the embeddings and learn the temporal dynamics. These methods require the knowledge of a node in the full time span (including both training and testing) and are less applicable to the frequent change of the node set. In some extreme scenarios, the node sets at different time steps may completely differ. To resolve this challenge, we propose EvolveGCN, which adapts the graph convolutional network (GCN) model along the temporal dimension without resorting to node embeddings. The proposed approach captures the dynamism of the graph sequence through using an RNN to evolve the GCN parameters. Two architectures are considered for the parameter evolution. We evaluate the proposed approach on tasks including link prediction, edge classification, and node classification. The experimental results indicate a generally higher performance of EvolveGCN compared with related approaches. The code is available at https://github.com/IBM/EvolveGCN.

This paper presents a novel multimodal framework to distinguish between different symptom classes of subjects in the schizophrenia spectrum and healthy controls using audio, video, and text modalities. We implemented Convolution Neural Network and Long Short Term Memory based unimodal models and experimented on various multimodal fusion approaches to come up with the proposed framework. We utilized a minimal Gated multimodal unit (mGMU) to obtain a bi-modal intermediate fusion of the features extracted from the input modalities before finally fusing the outputs of the bimodal fusions to perform subject-wise classifications. The use of mGMU units in the multimodal framework improved the performance in both weighted f1-score and weighted AUC-ROC scores.

The advent of the "pre-train, prompt" paradigm has recently extended its generalization ability and data efficiency to graph representation learning, following its achievements in Natural Language Processing (NLP). Initial graph prompt tuning approaches tailored specialized prompting functions for Graph Neural Network (GNN) models pre-trained with specific strategies, such as edge prediction, thus limiting their applicability. In contrast, another pioneering line of research has explored universal prompting via adding prompts to the input graph's feature space, thereby removing the reliance on specific pre-training strategies. However, the necessity to add feature prompts to all nodes remains an open question. Motivated by findings from prompt tuning research in the NLP domain, which suggest that highly capable pre-trained models need less conditioning signal to achieve desired behaviors, we advocate for strategically incorporating necessary and lightweight feature prompts to certain graph nodes to enhance downstream task performance. This introduces a combinatorial optimization problem, requiring a policy to decide 1) which nodes to prompt and 2) what specific feature prompts to attach. We then address the problem by framing the prompt incorporation process as a sequential decision-making problem and propose our method, RELIEF, which employs Reinforcement Learning (RL) to optimize it. At each step, the RL agent selects a node (discrete action) and determines the prompt content (continuous action), aiming to maximize cumulative performance gain. Extensive experiments on graph and node-level tasks with various pre-training strategies in few-shot scenarios demonstrate that our RELIEF outperforms fine-tuning and other prompt-based approaches in classification performance and data efficiency.

This competition focus on Urban-Sense Segmentation based on the vehicle camera view. Class highly unbalanced Urban-Sense images dataset challenge the existing solutions and further studies. Deep Conventional neural network-based semantic segmentation methods such as encoder-decoder architecture and multi-scale and pyramid-based approaches become flexible solutions applicable to real-world applications. In this competition, we mainly review the literature and conduct experiments on transformer-driven methods especially SegFormer, to achieve an optimal trade-off between performance and efficiency. For example, SegFormer-B0 achieved 74.6% mIoU with the smallest FLOPS, 15.6G, and the largest model, SegFormer- B5 archived 80.2% mIoU. According to multiple factors, including individual case failure analysis, individual class performance, training pressure and efficiency estimation, the final candidate model for the competition is SegFormer- B2 with 50.6 GFLOPS and 78.5% mIoU evaluated on the testing set. Checkout our code implementation at https://vmv.re/cv3315.

The automatic classification of applications and services is an invaluable feature for new generation mobile networks. Here, we propose and validate algorithms to perform this task, at runtime, from the raw physical channel of an operative mobile network, without having to decode and/or decrypt the transmitted flows. Towards this, we decode Downlink Control Information (DCI) messages carried within the LTE Physical Downlink Control CHannel (PDCCH). DCI messages are sent by the radio cell in clear text and, in this paper, are utilized to classify the applications and services executed at the connected mobile terminals. Two datasets are collected through a large measurement campaign: one labeled, used to train the classification algorithms, and one unlabeled, collected from four radio cells in the metropolitan area of Barcelona, in Spain. Among other approaches, our Convolutional Neural Network (CNN) classifier provides the highest classification accuracy of 99%. The CNN classifier is then augmented with the capability of rejecting sessions whose patterns do not conform to those learned during the training phase, and is subsequently utilized to attain a fine grained decomposition of the traffic for the four monitored radio cells, in an online and unsupervised fashion.

This work addresses the challenge of sub-pixel accuracy in detecting 2D local features, a cornerstone problem in computer vision. Despite the advancements brought by neural network-based methods like SuperPoint and ALIKED, these modern approaches lag behind classical ones such as SIFT in keypoint localization accuracy due to their lack of sub-pixel precision. We propose a novel network that enhances any detector with sub-pixel precision by learning an offset vector for detected features, thereby eliminating the need for designing specialized sub-pixel accurate detectors. This optimization directly minimizes test-time evaluation metrics like relative pose error. Through extensive testing with both nearest neighbors matching and the recent LightGlue matcher across various real-world datasets, our method consistently outperforms existing methods in accuracy. Moreover, it adds only around 7 ms to the time of a particular detector. The code is available at https://github.com/KimSinjeong/keypt2subpx .

Knowledge about the hidden factors that determine particular system dynamics is crucial for both explaining them and pursuing goal-directed interventions. Inferring these factors from time series data without supervision remains an open challenge. Here, we focus on spatiotemporal processes, including wave propagation and weather dynamics, for which we assume that universal causes (e.g. physics) apply throughout space and time. A recently introduced DIstributed SpatioTemporal graph Artificial Neural network Architecture (DISTANA) is used and enhanced to learn such processes, requiring fewer parameters and achieving significantly more accurate predictions compared to temporal convolutional neural networks and other related approaches. We show that DISTANA, when combined with a retrospective latent state inference principle called active tuning, can reliably derive location-respective hidden causal factors. In a current weather prediction benchmark, DISTANA infers our planet's land-sea mask solely by observing temperature dynamics and, meanwhile, uses the self inferred information to improve its own future temperature predictions.

We revisit the weakly supervised cross-modal face-name alignment task; that is, given an image and a caption, we label the faces in the image with the names occurring in the caption. Whereas past approaches have learned the latent alignment between names and faces by uncertainty reasoning over a set of images and their respective captions, in this paper, we rely on appropriate loss functions to learn the alignments in a neural network setting and propose SECLA and SECLA-B. SECLA is a Symmetry-Enhanced Contrastive Learning-based Alignment model that can effectively maximize the similarity scores between corresponding faces and names in a weakly supervised fashion. A variation of the model, SECLA-B, learns to align names and faces as humans do, that is, learning from easy to hard cases to further increase the performance of SECLA. More specifically, SECLA-B applies a two-stage learning framework: (1) Training the model on an easy subset with a few names and faces in each image-caption pair. (2) Leveraging the known pairs of names and faces from the easy cases using a bootstrapping strategy with additional loss to prevent forgetting and learning new alignments at the same time. We achieve state-of-the-art results for both the augmented Labeled Faces in the Wild dataset and the Celebrity Together dataset. In addition, we believe that our methods can be adapted to other multimodal news understanding tasks.

Compliance is a useful parametrization of tactile information that humans often utilize in manipulation tasks. It can be used to inform low-level contact-rich actions or characterize objects at a high-level. In robotic manipulation, existing approaches to estimate compliance have struggled to generalize across object shape and material. Using camera-based tactile sensors, we present a novel approach to parametrize compliance through Young's modulus E. We evaluate our method over a novel dataset of 285 common objects, including a wide array of shapes and materials with Young's moduli ranging from 5.0 kPa to 250 GPa. Data is collected over automated parallel grasps of each object. Combining analytical and data-driven approaches, we develop a hybrid system using a multi-tower neural network to analyze a sequence of tactile images from grasping. This system is shown to estimate the Young's modulus of unseen objects within an order of magnitude at 74.2% accuracy across our dataset. This is a drastic improvement over a purely analytical baseline, which exhibits only 28.9% accuracy. Importantly, this estimation system performs irrespective of object geometry and demonstrates robustness across object materials. Thus, it could be applied in a general robotic manipulation setting to characterize unknown objects and inform decision-making, for instance to sort produce by ripeness.

Neural network based end-to-end text to speech (TTS) has significantly improved the quality of synthesized speech. Prominent methods (e.g., Tacotron 2) usually first generate mel-spectrogram from text, and then synthesize speech from the mel-spectrogram using vocoder such as WaveNet. Compared with traditional concatenative and statistical parametric approaches, neural network based end-to-end models suffer from slow inference speed, and the synthesized speech is usually not robust (i.e., some words are skipped or repeated) and lack of controllability (voice speed or prosody control). In this work, we propose a novel feed-forward network based on Transformer to generate mel-spectrogram in parallel for TTS. Specifically, we extract attention alignments from an encoder-decoder based teacher model for phoneme duration prediction, which is used by a length regulator to expand the source phoneme sequence to match the length of the target mel-spectrogram sequence for parallel mel-spectrogram generation. Experiments on the LJSpeech dataset show that our parallel model matches autoregressive models in terms of speech quality, nearly eliminates the problem of word skipping and repeating in particularly hard cases, and can adjust voice speed smoothly. Most importantly, compared with autoregressive Transformer TTS, our model speeds up mel-spectrogram generation by 270x and the end-to-end speech synthesis by 38x. Therefore, we call our model FastSpeech.

Large scale deep learning model, such as modern language models and diffusion architectures, have revolutionized applications ranging from natural language processing to computer vision. However, their deployment in distributed or decentralized environments raises significant privacy concerns, as sensitive data may be exposed during inference. Traditional techniques like secure multi-party computation, homomorphic encryption, and differential privacy offer partial remedies but often incur substantial computational overhead, latency penalties, or limited compatibility with non-linear network operations. In this work, we introduce Equivariant Encryption (EE), a novel paradigm designed to enable secure, "blind" inference on encrypted data with near zero performance overhead. Unlike fully homomorphic approaches that encrypt the entire computational graph, EE selectively obfuscates critical internal representations within neural network layers while preserving the exact functionality of both linear and a prescribed set of non-linear operations. This targeted encryption ensures that raw inputs, intermediate activations, and outputs remain confidential, even when processed on untrusted infrastructure. We detail the theoretical foundations of EE, compare its performance and integration complexity against conventional privacy preserving techniques, and demonstrate its applicability across a range of architectures, from convolutional networks to large language models. Furthermore, our work provides a comprehensive threat analysis, outlining potential attack vectors and baseline strategies, and benchmarks EE against standard inference pipelines in decentralized settings. The results confirm that EE maintains high fidelity and throughput, effectively bridging the gap between robust data confidentiality and the stringent efficiency requirements of modern, large scale model inference.

Drawing upon recent advances in language model alignment, we formulate offline Reinforcement Learning as a two-stage optimization problem: First pretraining expressive generative policies on reward-free behavior datasets, then fine-tuning these policies to align with task-specific annotations like Q-values. This strategy allows us to leverage abundant and diverse behavior data to enhance generalization and enable rapid adaptation to downstream tasks using minimal annotations. In particular, we introduce Efficient Diffusion Alignment (EDA) for solving continuous control problems. EDA utilizes diffusion models for behavior modeling. However, unlike previous approaches, we represent diffusion policies as the derivative of a scalar neural network with respect to action inputs. This representation is critical because it enables direct density calculation for diffusion models, making them compatible with existing LLM alignment theories. During policy fine-tuning, we extend preference-based alignment methods like Direct Preference Optimization (DPO) to align diffusion behaviors with continuous Q-functions. Our evaluation on the D4RL benchmark shows that EDA exceeds all baseline methods in overall performance. Notably, EDA maintains about 95\% of performance and still outperforms several baselines given only 1\% of Q-labelled data during fine-tuning.

Diffusion models have shown a great ability at bridging the performance gap between predictive and generative approaches for speech enhancement. We have shown that they may even outperform their predictive counterparts for non-additive corruption types or when they are evaluated on mismatched conditions. However, diffusion models suffer from a high computational burden, mainly as they require to run a neural network for each reverse diffusion step, whereas predictive approaches only require one pass. As diffusion models are generative approaches they may also produce vocalizing and breathing artifacts in adverse conditions. In comparison, in such difficult scenarios, predictive models typically do not produce such artifacts but tend to distort the target speech instead, thereby degrading the speech quality. In this work, we present a stochastic regeneration approach where an estimate given by a predictive model is provided as a guide for further diffusion. We show that the proposed approach uses the predictive model to remove the vocalizing and breathing artifacts while producing very high quality samples thanks to the diffusion model, even in adverse conditions. We further show that this approach enables to use lighter sampling schemes with fewer diffusion steps without sacrificing quality, thus lifting the computational burden by an order of magnitude. Source code and audio examples are available online (https://uhh.de/inf-sp-storm).

The ability to observe the effects of actions performed by others and to infer their intent, most likely goals, or course of action, is known as a plan or intention recognition cognitive capability and has long been one of the fundamental research challenges in AI. Deep learning has recently been making significant inroads on various pattern recognition problems, except for intention recognition. While extensively explored since the seventies, the problem remains unsolved for most interesting cases in various areas, ranging from natural language understanding to human behavior understanding based on video feeds. This paper compares symbolic inverse planning, one of the most investigated approaches to goal recognition, to deep learning using CNN and LTSM neural network architectures, on five synthetic benchmarks often used in the literature. The results show that the deep learning approach achieves better goal-prediction accuracy and timeliness than the symbolic cost-based plan recognizer in these domains. Although preliminary, these results point to interesting future research avenues.

Recent progress in Natural Language Understanding (NLU) is driving fast-paced advances in Information Retrieval (IR), largely owed to fine-tuning deep language models (LMs) for document ranking. While remarkably effective, the ranking models based on these LMs increase computational cost by orders of magnitude over prior approaches, particularly as they must feed each query-document pair through a massive neural network to compute a single relevance score. To tackle this, we present ColBERT, a novel ranking model that adapts deep LMs (in particular, BERT) for efficient retrieval. ColBERT introduces a late interaction architecture that independently encodes the query and the document using BERT and then employs a cheap yet powerful interaction step that models their fine-grained similarity. By delaying and yet retaining this fine-granular interaction, ColBERT can leverage the expressiveness of deep LMs while simultaneously gaining the ability to pre-compute document representations offline, considerably speeding up query processing. Beyond reducing the cost of re-ranking the documents retrieved by a traditional model, ColBERT's pruning-friendly interaction mechanism enables leveraging vector-similarity indexes for end-to-end retrieval directly from a large document collection. We extensively evaluate ColBERT using two recent passage search datasets. Results show that ColBERT's effectiveness is competitive with existing BERT-based models (and outperforms every non-BERT baseline), while executing two orders-of-magnitude faster and requiring four orders-of-magnitude fewer FLOPs per query.

The introduction of emojis (or emoticons) in social media platforms has given the users an increased potential for expression. We propose a novel method called Classification of Emojis using Siamese Network Architecture (CESNA) to learn emoji-based representations of resource-poor languages by jointly training them with resource-rich languages using a siamese network. CESNA model consists of twin Bi-directional Long Short-Term Memory Recurrent Neural Networks (Bi-LSTM RNN) with shared parameters joined by a contrastive loss function based on a similarity metric. The model learns the representations of resource-poor and resource-rich language in a common emoji space by using a similarity metric based on the emojis present in sentences from both languages. The model, hence, projects sentences with similar emojis closer to each other and the sentences with different emojis farther from one another. Experiments on large-scale Twitter datasets of resource-rich languages - English and Spanish and resource-poor languages - Hindi and Telugu reveal that CESNA outperforms the state-of-the-art emoji prediction approaches based on distributional semantics, semantic rules, lexicon lists and deep neural network representations without shared parameters.

We propose a method for adapting neural networks to distribution shifts at test-time. In contrast to training-time robustness mechanisms that attempt to anticipate and counter the shift, we create a closed-loop system and make use of a test-time feedback signal to adapt a network on the fly. We show that this loop can be effectively implemented using a learning-based function, which realizes an amortized optimizer for the network. This leads to an adaptation method, named Rapid Network Adaptation (RNA), that is notably more flexible and orders of magnitude faster than the baselines. Through a broad set of experiments using various adaptation signals and target tasks, we study the efficiency and flexibility of this method. We perform the evaluations using various datasets (Taskonomy, Replica, ScanNet, Hypersim, COCO, ImageNet), tasks (depth, optical flow, semantic segmentation, classification), and distribution shifts (Cross-datasets, 2D and 3D Common Corruptions) with promising results. We end with a discussion on general formulations for handling distribution shifts and our observations from comparing with similar approaches from other domains.

Neural machine translation is a relatively new approach to statistical machine translation based purely on neural networks. The neural machine translation models often consist of an encoder and a decoder. The encoder extracts a fixed-length representation from a variable-length input sentence, and the decoder generates a correct translation from this representation. In this paper, we focus on analyzing the properties of the neural machine translation using two models; RNN Encoder--Decoder and a newly proposed gated recursive convolutional neural network. We show that the neural machine translation performs relatively well on short sentences without unknown words, but its performance degrades rapidly as the length of the sentence and the number of unknown words increase. Furthermore, we find that the proposed gated recursive convolutional network learns a grammatical structure of a sentence automatically.

As the size of deep learning models continues to grow, finding optimal models under memory and computation constraints becomes increasingly more important. Although usually the architecture and constituent building blocks of neural networks allow them to be used in a modular way, their training process is not aware of this modularity. Consequently, conventional neural network training lacks the flexibility to adapt the computational load of the model during inference. This paper proposes SortedNet, a generalized and scalable solution to harness the inherent modularity of deep neural networks across various dimensions for efficient dynamic inference. Our training considers a nested architecture for the sub-models with shared parameters and trains them together with the main model in a sorted and probabilistic manner. This sorted training of sub-networks enables us to scale the number of sub-networks to hundreds using a single round of training. We utilize a novel updating scheme during training that combines random sampling of sub-networks with gradient accumulation to improve training efficiency. Furthermore, the sorted nature of our training leads to a search-free sub-network selection at inference time; and the nested architecture of the resulting sub-networks leads to minimal storage requirement and efficient switching between sub-networks at inference. Our general dynamic training approach is demonstrated across various architectures and tasks, including large language models and pre-trained vision models. Experimental results show the efficacy of the proposed approach in achieving efficient sub-networks while outperforming state-of-the-art dynamic training approaches. Our findings demonstrate the feasibility of training up to 160 different sub-models simultaneously, showcasing the extensive scalability of our proposed method while maintaining 96% of the model performance.

Trajectory prediction plays an important role in various applications, including autonomous driving, robotics, and scene understanding. Existing approaches mainly focus on developing compact neural networks to increase prediction precision on public datasets, typically employing a standardized input duration. However, a notable issue arises when these models are evaluated with varying observation lengths, leading to a significant performance drop, a phenomenon we term the Observation Length Shift. To address this issue, we introduce a general and effective framework, the FlexiLength Network (FLN), to enhance the robustness of existing trajectory prediction techniques against varying observation periods. Specifically, FLN integrates trajectory data with diverse observation lengths, incorporates FlexiLength Calibration (FLC) to acquire temporal invariant representations, and employs FlexiLength Adaptation (FLA) to further refine these representations for more accurate future trajectory predictions. Comprehensive experiments on multiple datasets, ie, ETH/UCY, nuScenes, and Argoverse 1, demonstrate the effectiveness and flexibility of our proposed FLN framework.

While many approaches to make neural networks more fathomable have been proposed, they are restricted to interrogating the network with input data. Measures for characterizing and monitoring structural properties, however, have not been developed. In this work, we propose neural persistence, a complexity measure for neural network architectures based on topological data analysis on weighted stratified graphs. To demonstrate the usefulness of our approach, we show that neural persistence reflects best practices developed in the deep learning community such as dropout and batch normalization. Moreover, we derive a neural persistence-based stopping criterion that shortens the training process while achieving comparable accuracies as early stopping based on validation loss.

We propose a simple but strong baseline for time series classification from scratch with deep neural networks. Our proposed baseline models are pure end-to-end without any heavy preprocessing on the raw data or feature crafting. The proposed Fully Convolutional Network (FCN) achieves premium performance to other state-of-the-art approaches and our exploration of the very deep neural networks with the ResNet structure is also competitive. The global average pooling in our convolutional model enables the exploitation of the Class Activation Map (CAM) to find out the contributing region in the raw data for the specific labels. Our models provides a simple choice for the real world application and a good starting point for the future research. An overall analysis is provided to discuss the generalization capability of our models, learned features, network structures and the classification semantics.

Despite the improved accuracy of deep neural networks, the discovery of adversarial examples has raised serious safety concerns. Most existing approaches for crafting adversarial examples necessitate some knowledge (architecture, parameters, etc.) of the network at hand. In this paper, we focus on image classifiers and propose a feature-guided black-box approach to test the safety of deep neural networks that requires no such knowledge. Our algorithm employs object detection techniques such as SIFT (Scale Invariant Feature Transform) to extract features from an image. These features are converted into a mutable saliency distribution, where high probability is assigned to pixels that affect the composition of the image with respect to the human visual system. We formulate the crafting of adversarial examples as a two-player turn-based stochastic game, where the first player's objective is to minimise the distance to an adversarial example by manipulating the features, and the second player can be cooperative, adversarial, or random. We show that, theoretically, the two-player game can con- verge to the optimal strategy, and that the optimal strategy represents a globally minimal adversarial image. For Lipschitz networks, we also identify conditions that provide safety guarantees that no adversarial examples exist. Using Monte Carlo tree search we gradually explore the game state space to search for adversarial examples. Our experiments show that, despite the black-box setting, manipulations guided by a perception-based saliency distribution are competitive with state-of-the-art methods that rely on white-box saliency matrices or sophisticated optimization procedures. Finally, we show how our method can be used to evaluate robustness of neural networks in safety-critical applications such as traffic sign recognition in self-driving cars.

In recent years, deep network pruning has attracted significant attention in order to enable the rapid deployment of AI into small devices with computation and memory constraints. Pruning is often achieved by dropping redundant weights, neurons, or layers of a deep network while attempting to retain a comparable test performance. Many deep pruning algorithms have been proposed with impressive empirical success. However, existing approaches lack a quantifiable measure to estimate the compressibility of a sub-network during each pruning iteration and thus may under-prune or over-prune the model. In this work, we propose PQ Index (PQI) to measure the potential compressibility of deep neural networks and use this to develop a Sparsity-informed Adaptive Pruning (SAP) algorithm. Our extensive experiments corroborate the hypothesis that for a generic pruning procedure, PQI decreases first when a large model is being effectively regularized and then increases when its compressibility reaches a limit that appears to correspond to the beginning of underfitting. Subsequently, PQI decreases again when the model collapse and significant deterioration in the performance of the model start to occur. Additionally, our experiments demonstrate that the proposed adaptive pruning algorithm with proper choice of hyper-parameters is superior to the iterative pruning algorithms such as the lottery ticket-based pruning methods, in terms of both compression efficiency and robustness.

Airway segmentation on CT scans is critical for pulmonary disease diagnosis and endobronchial navigation. Manual extraction of airway requires strenuous efforts due to the complicated structure and various appearance of airway. For automatic airway extraction, convolutional neural networks (CNNs) based methods have recently become the state-of-the-art approach. However, there still remains a challenge for CNNs to perceive the tree-like pattern and comprehend the connectivity of airway. To address this, we propose a voxel-connectivity aware approach named AirwayNet for accurate airway segmentation. By connectivity modeling, conventional binary segmentation task is transformed into 26 tasks of connectivity prediction. Thus, our AirwayNet learns both airway structure and relationship between neighboring voxels. To take advantage of context knowledge, lung distance map and voxel coordinates are fed into AirwayNet as additional semantic information. Compared to existing approaches, AirwayNet achieved superior performance, demonstrating the effectiveness of the network's awareness of voxel connectivity.

There has been rapid growth in biomedical literature, yet capturing the heterogeneity of the bibliographic information of these articles remains relatively understudied. Although graph mining research via heterogeneous graph neural networks has taken center stage, it remains unclear whether these approaches capture the heterogeneity of the PubMed database, a vast digital repository containing over 33 million articles. We introduce PubMed Graph Benchmark (PGB), a new benchmark dataset for evaluating heterogeneous graph embeddings for biomedical literature. The benchmark contains rich metadata including abstract, authors, citations, MeSH terms, MeSH hierarchy, and some other information. The benchmark contains three different evaluation tasks encompassing systematic reviews, node classification, and node clustering. In PGB, we aggregate the metadata associated with the biomedical articles from PubMed into a unified source and make the benchmark publicly available for any future works.

Tensor Networks (TN) offer a powerful framework to efficiently represent very high-dimensional objects. TN have recently shown their potential for machine learning applications and offer a unifying view of common tensor decomposition models such as Tucker, tensor train (TT) and tensor ring (TR). However, identifying the best tensor network structure from data for a given task is challenging. In this work, we leverage the TN formalism to develop a generic and efficient adaptive algorithm to jointly learn the structure and the parameters of a TN from data. Our method is based on a simple greedy approach starting from a rank one tensor and successively identifying the most promising tensor network edges for small rank increments. Our algorithm can adaptively identify TN structures with small number of parameters that effectively optimize any differentiable objective function. Experiments on tensor decomposition, tensor completion and model compression tasks demonstrate the effectiveness of the proposed algorithm. In particular, our method outperforms the state-of-the-art evolutionary topology search [Li and Sun, 2020] for tensor decomposition of images (while being orders of magnitude faster) and finds efficient tensor network structures to compress neural networks outperforming popular TT based approaches [Novikov et al., 2015].

Recovering the physical attributes of an object's appearance from its images captured under an unknown illumination is challenging yet essential for photo-realistic rendering. Recent approaches adopt the emerging implicit scene representations and have shown impressive results.However, they unanimously adopt a surface-based representation,and hence can not well handle scenes with very complex geometry, translucent object and etc. In this paper, we propose to conduct inverse volume rendering, in contrast to surface-based, by representing a scene using microflake volume, which assumes the space is filled with infinite small flakes and light reflects or scatters at each spatial location according to microflake distributions. We further adopt the coordinate networks to implicitly encode the microflake volume, and develop a differentiable microflake volume renderer to train the network in an end-to-end way in principle.Our NeMF enables effective recovery of appearance attributes for highly complex geometry and scattering object, enables high-quality relighting, material editing, and especially simulates volume rendering effects, such as scattering, which is infeasible for surface-based approaches.

Semantic segmentation of brain tumors is a fundamental medical image analysis task involving multiple MRI imaging modalities that can assist clinicians in diagnosing the patient and successively studying the progression of the malignant entity. In recent years, Fully Convolutional Neural Networks (FCNNs) approaches have become the de facto standard for 3D medical image segmentation. The popular "U-shaped" network architecture has achieved state-of-the-art performance benchmarks on different 2D and 3D semantic segmentation tasks and across various imaging modalities. However, due to the limited kernel size of convolution layers in FCNNs, their performance of modeling long-range information is sub-optimal, and this can lead to deficiencies in the segmentation of tumors with variable sizes. On the other hand, transformer models have demonstrated excellent capabilities in capturing such long-range information in multiple domains, including natural language processing and computer vision. Inspired by the success of vision transformers and their variants, we propose a novel segmentation model termed Swin UNEt TRansformers (Swin UNETR). Specifically, the task of 3D brain tumor semantic segmentation is reformulated as a sequence to sequence prediction problem wherein multi-modal input data is projected into a 1D sequence of embedding and used as an input to a hierarchical Swin transformer as the encoder. The swin transformer encoder extracts features at five different resolutions by utilizing shifted windows for computing self-attention and is connected to an FCNN-based decoder at each resolution via skip connections. We have participated in BraTS 2021 segmentation challenge, and our proposed model ranks among the top-performing approaches in the validation phase. Code: https://monai.io/research/swin-unetr

Deep convolutional neural networks (CNNs) based approaches have achieved great performance in video matting. Many of these methods can produce accurate alpha estimation for the target body but typically yield fuzzy or incorrect target edges. This is usually caused by the following reasons: 1) The current methods always treat the target body and edge indiscriminately; 2) Target body dominates the whole target with only a tiny proportion target edge. For the first problem, we propose a CNN-based module that separately optimizes the matting target body and edge (SOBE). And on this basis, we introduce a real-time, trimap-free video matting method via progressively optimizing the matting target body and edge (POBEVM) that is much lighter than previous approaches and achieves significant improvements in the predicted target edge. For the second problem, we propose an Edge-L1-Loss (ELL) function that enforces our network on the matting target edge. Experiments demonstrate our method outperforms prior trimap-free matting methods on both Distinctions-646 (D646) and VideoMatte240K(VM) dataset, especially in edge optimization.

In this paper, we present a cross-entropy optimization method for hyperparameter optimization in stochastic gradient-based approaches to train deep neural networks. The value of a hyperparameter of a learning algorithm often has great impact on the performance of a model such as the convergence speed, the generalization performance metrics, etc. While in some cases the hyperparameters of a learning algorithm can be part of learning parameters, in other scenarios the hyperparameters of a stochastic optimization algorithm such as Adam [5] and its variants are either fixed as a constant or are kept changing in a monotonic way over time. We give an in-depth analysis of the presented method in the framework of expectation maximization (EM). The presented algorithm of cross-entropy optimization for hyperparameter optimization of a learning algorithm (CEHPO) can be equally applicable to other areas of optimization problems in deep learning. We hope that the presented methods can provide different perspectives and offer some insights for optimization problems in different areas of machine learning and beyond.

Existing models based on artificial neural networks (ANNs) for sentence classification often do not incorporate the context in which sentences appear, and classify sentences individually. However, traditional sentence classification approaches have been shown to greatly benefit from jointly classifying subsequent sentences, such as with conditional random fields. In this work, we present an ANN architecture that combines the effectiveness of typical ANN models to classify sentences in isolation, with the strength of structured prediction. Our model achieves state-of-the-art results on two different datasets for sequential sentence classification in medical abstracts.

A Sheaf Neural Network (SNN) is a type of Graph Neural Network (GNN) that operates on a sheaf, an object that equips a graph with vector spaces over its nodes and edges and linear maps between these spaces. SNNs have been shown to have useful theoretical properties that help tackle issues arising from heterophily and over-smoothing. One complication intrinsic to these models is finding a good sheaf for the task to be solved. Previous works proposed two diametrically opposed approaches: manually constructing the sheaf based on domain knowledge and learning the sheaf end-to-end using gradient-based methods. However, domain knowledge is often insufficient, while learning a sheaf could lead to overfitting and significant computational overhead. In this work, we propose a novel way of computing sheaves drawing inspiration from Riemannian geometry: we leverage the manifold assumption to compute manifold-and-graph-aware orthogonal maps, which optimally align the tangent spaces of neighbouring data points. We show that this approach achieves promising results with less computational overhead when compared to previous SNN models. Overall, this work provides an interesting connection between algebraic topology and differential geometry, and we hope that it will spark future research in this direction.

Bayesian approaches for learning deep neural networks (BNN) have been received much attention and successfully applied to various applications. Particularly, BNNs have the merit of having better generalization ability as well as better uncertainty quantification. For the success of BNN, search an appropriate architecture of the neural networks is an important task, and various algorithms to find good sparse neural networks have been proposed. In this paper, we propose a new node-sparse BNN model which has good theoretical properties and is computationally feasible. We prove that the posterior concentration rate to the true model is near minimax optimal and adaptive to the smoothness of the true model. In particular the adaptiveness is the first of its kind for node-sparse BNNs. In addition, we develop a novel MCMC algorithm which makes the Bayesian inference of the node-sparse BNN model feasible in practice.

Graph Neural Networks (GNNs) have already been widely applied in various graph mining tasks. However, they suffer from the shallow architecture issue, which is the key impediment that hinders the model performance improvement. Although several relevant approaches have been proposed, none of the existing studies provides an in-depth understanding of the root causes of performance degradation in deep GNNs. In this paper, we conduct the first systematic experimental evaluation to present the fundamental limitations of shallow architectures. Based on the experimental results, we answer the following two essential questions: (1) what actually leads to the compromised performance of deep GNNs; (2) when we need and how to build deep GNNs. The answers to the above questions provide empirical insights and guidelines for researchers to design deep and well-performed GNNs. To show the effectiveness of our proposed guidelines, we present Deep Graph Multi-Layer Perceptron (DGMLP), a powerful approach (a paradigm in its own right) that helps guide deep GNN designs. Experimental results demonstrate three advantages of DGMLP: 1) high accuracy -- it achieves state-of-the-art node classification performance on various datasets; 2) high flexibility -- it can flexibly choose different propagation and transformation depths according to graph size and sparsity; 3) high scalability and efficiency -- it supports fast training on large-scale graphs. Our code is available in https://github.com/zwt233/DGMLP.

Tabular data underpins numerous high-impact applications of machine learning from fraud detection to genomics and healthcare. Classical approaches to solving tabular problems, such as gradient boosting and random forests, are widely used by practitioners. However, recent deep learning methods have achieved a degree of performance competitive with popular techniques. We devise a hybrid deep learning approach to solving tabular data problems. Our method, SAINT, performs attention over both rows and columns, and it includes an enhanced embedding method. We also study a new contrastive self-supervised pre-training method for use when labels are scarce. SAINT consistently improves performance over previous deep learning methods, and it even outperforms gradient boosting methods, including XGBoost, CatBoost, and LightGBM, on average over a variety of benchmark tasks.

Quantized neural networks employ reduced precision representations for both weights and activations. This quantization process significantly reduces the memory requirements and computational complexity of the network. Binary Neural Networks (BNNs) are the extreme quantization case, representing values with just one bit. Since the sign function is typically used to map real values to binary values, smooth approximations are introduced to mimic the gradients during error backpropagation. Thus, the mismatch between the forward and backward models corrupts the direction of the gradient, causing training inconsistency problems and performance degradation. In contrast to current BNN approaches, we propose to employ a binary periodic (BiPer) function during binarization. Specifically, we use a square wave for the forward pass to obtain the binary values and employ the trigonometric sine function with the same period of the square wave as a differentiable surrogate during the backward pass. We demonstrate that this approach can control the quantization error by using the frequency of the periodic function and improves network performance. Extensive experiments validate the effectiveness of BiPer in benchmark datasets and network architectures, with improvements of up to 1% and 0.69% with respect to state-of-the-art methods in the classification task over CIFAR-10 and ImageNet, respectively. Our code is publicly available at https://github.com/edmav4/BiPer.

Compared to other modalities, EEG-based emotion recognition can intuitively respond to the emotional patterns in the human brain and, therefore, has become one of the most concerning tasks in the brain-computer interfaces field. Since dependencies within brain regions are closely related to emotion, a significant trend is to develop Graph Neural Networks (GNNs) for EEG-based emotion recognition. However, brain region dependencies in emotional EEG have physiological bases that distinguish GNNs in this field from those in other time series fields. Besides, there is neither a comprehensive review nor guidance for constructing GNNs in EEG-based emotion recognition. In the survey, our categorization reveals the commonalities and differences of existing approaches under a unified framework of graph construction. We analyze and categorize methods from three stages in the framework to provide clear guidance on constructing GNNs in EEG-based emotion recognition. In addition, we discuss several open challenges and future directions, such as Temporal full-connected graph and Graph condensation.

We present a novel global compression framework for deep neural networks that automatically analyzes each layer to identify the optimal per-layer compression ratio, while simultaneously achieving the desired overall compression. Our algorithm hinges on the idea of compressing each convolutional (or fully-connected) layer by slicing its channels into multiple groups and decomposing each group via low-rank decomposition. At the core of our algorithm is the derivation of layer-wise error bounds from the Eckart Young Mirsky theorem. We then leverage these bounds to frame the compression problem as an optimization problem where we wish to minimize the maximum compression error across layers and propose an efficient algorithm towards a solution. Our experiments indicate that our method outperforms existing low-rank compression approaches across a wide range of networks and data sets. We believe that our results open up new avenues for future research into the global performance-size trade-offs of modern neural networks. Our code is available at https://github.com/lucaslie/torchprune.

This paper proposes PuRL - a deep reinforcement learning (RL) based algorithm for pruning neural networks. Unlike current RL based model compression approaches where feedback is given only at the end of each episode to the agent, PuRL provides rewards at every pruning step. This enables PuRL to achieve sparsity and accuracy comparable to current state-of-the-art methods, while having a much shorter training cycle. PuRL achieves more than 80% sparsity on the ResNet-50 model while retaining a Top-1 accuracy of 75.37% on the ImageNet dataset. Through our experiments we show that PuRL is also able to sparsify already efficient architectures like MobileNet-V2. In addition to performance characterisation experiments, we also provide a discussion and analysis of the various RL design choices that went into the tuning of the Markov Decision Process underlying PuRL. Lastly, we point out that PuRL is simple to use and can be easily adapted for various architectures.

Cancer has relational information residing at varying scales, modalities, and resolutions of the acquired data, such as radiology, pathology, genomics, proteomics, and clinical records. Integrating diverse data types can improve the accuracy and reliability of cancer diagnosis and treatment. There can be disease-related information that is too subtle for humans or existing technological tools to discern visually. Traditional methods typically focus on partial or unimodal information about biological systems at individual scales and fail to encapsulate the complete spectrum of the heterogeneous nature of data. Deep neural networks have facilitated the development of sophisticated multimodal data fusion approaches that can extract and integrate relevant information from multiple sources. Recent deep learning frameworks such as Graph Neural Networks (GNNs) and Transformers have shown remarkable success in multimodal learning. This review article provides an in-depth analysis of the state-of-the-art in GNNs and Transformers for multimodal data fusion in oncology settings, highlighting notable research studies and their findings. We also discuss the foundations of multimodal learning, inherent challenges, and opportunities for integrative learning in oncology. By examining the current state and potential future developments of multimodal data integration in oncology, we aim to demonstrate the promising role that multimodal neural networks can play in cancer prevention, early detection, and treatment through informed oncology practices in personalized settings.

Graph neural networks (GNNs) are one of the most popular approaches to using deep learning on graph-structured data, and they have shown state-of-the-art performances on a variety of tasks. However, according to a recent study, a careful choice of pooling functions, which are used for the aggregation and readout operations in GNNs, is crucial for enabling GNNs to extrapolate. Without proper choices of pooling functions, which varies across tasks, GNNs completely fail to generalize to out-of-distribution data, while the number of possible choices grows exponentially with the number of layers. In this paper, we present GNP, a L^p norm-like pooling function that is trainable end-to-end for any given task. Notably, GNP generalizes most of the widely-used pooling functions. We verify experimentally that simply using GNP for every aggregation and readout operation enables GNNs to extrapolate well on many node-level, graph-level, and set-related tasks; and GNP sometimes performs even better than the best-performing choices among existing pooling functions.

Several works have proposed Simplicity Bias (SB)---the tendency of standard training procedures such as Stochastic Gradient Descent (SGD) to find simple models---to justify why neural networks generalize well [Arpit et al. 2017, Nakkiran et al. 2019, Soudry et al. 2018]. However, the precise notion of simplicity remains vague. Furthermore, previous settings that use SB to theoretically justify why neural networks generalize well do not simultaneously capture the non-robustness of neural networks---a widely observed phenomenon in practice [Goodfellow et al. 2014, Jo and Bengio 2017]. We attempt to reconcile SB and the superior standard generalization of neural networks with the non-robustness observed in practice by designing datasets that (a) incorporate a precise notion of simplicity, (b) comprise multiple predictive features with varying levels of simplicity, and (c) capture the non-robustness of neural networks trained on real data. Through theory and empirics on these datasets, we make four observations: (i) SB of SGD and variants can be extreme: neural networks can exclusively rely on the simplest feature and remain invariant to all predictive complex features. (ii) The extreme aspect of SB could explain why seemingly benign distribution shifts and small adversarial perturbations significantly degrade model performance. (iii) Contrary to conventional wisdom, SB can also hurt generalization on the same data distribution, as SB persists even when the simplest feature has less predictive power than the more complex features. (iv) Common approaches to improve generalization and robustness---ensembles and adversarial training---can fail in mitigating SB and its pitfalls. Given the role of SB in training neural networks, we hope that the proposed datasets and methods serve as an effective testbed to evaluate novel algorithmic approaches aimed at avoiding the pitfalls of SB.

Developing Intelligent Systems involves artificial intelligence approaches including artificial neural networks. Here, we present a tutorial of Deep Neural Networks (DNNs), and some insights about the origin of the term "deep"; references to deep learning are also given. Restricted Boltzmann Machines, which are the core of DNNs, are discussed in detail. An example of a simple two-layer network, performing unsupervised learning for unlabeled data, is shown. Deep Belief Networks (DBNs), which are used to build networks with more than two layers, are also described. Moreover, examples for supervised learning with DNNs performing simple prediction and classification tasks, are presented and explained. This tutorial includes two intelligent pattern recognition applications: hand- written digits (benchmark known as MNIST) and speech recognition.

Is it possible to build a system to determine the location where a photo was taken using just its pixels? In general, the problem seems exceptionally difficult: it is trivial to construct situations where no location can be inferred. Yet images often contain informative cues such as landmarks, weather patterns, vegetation, road markings, and architectural details, which in combination may allow one to determine an approximate location and occasionally an exact location. Websites such as GeoGuessr and View from your Window suggest that humans are relatively good at integrating these cues to geolocate images, especially en-masse. In computer vision, the photo geolocation problem is usually approached using image retrieval methods. In contrast, we pose the problem as one of classification by subdividing the surface of the earth into thousands of multi-scale geographic cells, and train a deep network using millions of geotagged images. While previous approaches only recognize landmarks or perform approximate matching using global image descriptors, our model is able to use and integrate multiple visible cues. We show that the resulting model, called PlaNet, outperforms previous approaches and even attains superhuman levels of accuracy in some cases. Moreover, we extend our model to photo albums by combining it with a long short-term memory (LSTM) architecture. By learning to exploit temporal coherence to geolocate uncertain photos, we demonstrate that this model achieves a 50% performance improvement over the single-image model.

We present an architecture of a recurrent neural network (RNN) with a fully-connected deep neural network (DNN) as its feature extractor. The RNN is equipped with both causal temporal prediction and non-causal look-ahead, via auto-regression (AR) and moving-average (MA), respectively. The focus of this paper is a primal-dual training method that formulates the learning of the RNN as a formal optimization problem with an inequality constraint that provides a sufficient condition for the stability of the network dynamics. Experimental results demonstrate the effectiveness of this new method, which achieves 18.86% phone recognition error on the TIMIT benchmark for the core test set. The result approaches the best result of 17.7%, which was obtained by using RNN with long short-term memory (LSTM). The results also show that the proposed primal-dual training method produces lower recognition errors than the popular RNN methods developed earlier based on the carefully tuned threshold parameter that heuristically prevents the gradient from exploding.

Imitation learning considerably simplifies policy synthesis compared to alternative approaches by exploiting access to expert demonstrations. For such imitation policies, errors away from the training samples are particularly critical. Even rare slip-ups in the policy action outputs can compound quickly over time, since they lead to unfamiliar future states where the policy is still more likely to err, eventually causing task failures. We revisit simple supervised ``behavior cloning'' for conveniently training the policy from nothing more than pre-recorded demonstrations, but carefully design the model class to counter the compounding error phenomenon. Our ``memory-consistent neural network'' (MCNN) outputs are hard-constrained to stay within clearly specified permissible regions anchored to prototypical ``memory'' training samples. We provide a guaranteed upper bound for the sub-optimality gap induced by MCNN policies. Using MCNNs on 10 imitation learning tasks, with MLP, Transformer, and Diffusion backbones, spanning dexterous robotic manipulation and driving, proprioceptive inputs and visual inputs, and varying sizes and types of demonstration data, we find large and consistent gains in performance, validating that MCNNs are better-suited than vanilla deep neural networks for imitation learning applications. Website: https://sites.google.com/view/mcnn-imitation

Recent approaches based on artificial neural networks (ANNs) have shown promising results for named-entity recognition (NER). In order to achieve high performances, ANNs need to be trained on a large labeled dataset. However, labels might be difficult to obtain for the dataset on which the user wants to perform NER: label scarcity is particularly pronounced for patient note de-identification, which is an instance of NER. In this work, we analyze to what extent transfer learning may address this issue. In particular, we demonstrate that transferring an ANN model trained on a large labeled dataset to another dataset with a limited number of labels improves upon the state-of-the-art results on two different datasets for patient note de-identification.

Recent approaches based on artificial neural networks (ANNs) have shown promising results for short-text classification. However, many short texts occur in sequences (e.g., sentences in a document or utterances in a dialog), and most existing ANN-based systems do not leverage the preceding short texts when classifying a subsequent one. In this work, we present a model based on recurrent neural networks and convolutional neural networks that incorporates the preceding short texts. Our model achieves state-of-the-art results on three different datasets for dialog act prediction.

The lack of transparency of Deep Neural Networks continues to be a limitation that severely undermines their reliability and usage in high-stakes applications. Promising approaches to overcome such limitations are Prototype-Based Self-Explainable Neural Networks (PSENNs), whose predictions rely on the similarity between the input at hand and a set of prototypical representations of the output classes, offering therefore a deep, yet transparent-by-design, architecture. So far, such models have been designed by considering pointwise estimates for the prototypes, which remain fixed after the learning phase of the model. In this paper, we introduce a probabilistic reformulation of PSENNs, called Prob-PSENN, which replaces point estimates for the prototypes with probability distributions over their values. This provides not only a more flexible framework for an end-to-end learning of prototypes, but can also capture the explanatory uncertainty of the model, which is a missing feature in previous approaches. In addition, since the prototypes determine both the explanation and the prediction, Prob-PSENNs allow us to detect when the model is making uninformed or uncertain predictions, and to obtain valid explanations for them. Our experiments demonstrate that Prob-PSENNs provide more meaningful and robust explanations than their non-probabilistic counterparts, thus enhancing the explainability and reliability of the models.

Inverse problems in image reconstruction are fundamentally complicated by unknown noise properties. Classical iterative deconvolution approaches amplify noise and require careful parameter selection for an optimal trade-off between sharpness and grain. Deep learning methods allow for flexible parametrization of the noise and learning its properties directly from the data. Recently, self-supervised blind-spot neural networks were successfully adopted for image deconvolution by including a known point-spread function in the end-to-end training. However, their practical application has been limited to 2D images in the biomedical domain because it implies large kernels that are poorly optimized. We tackle this problem with Fast Fourier Transform convolutions that provide training speed-up in 3D microscopy deconvolution tasks. Further, we propose to adopt a Siamese invariance loss for deconvolution and empirically identify its optimal position in the neural network between blind-spot and full image branches. The experimental results show that our improved framework outperforms the previous state-of-the-art deconvolution methods with a known point spread function.

To achieve reliable, robust, and safe AI systems, it is vital to implement fallback strategies when AI predictions cannot be trusted. Certifiers for neural networks are a reliable way to check the robustness of these predictions. They guarantee for some predictions that a certain class of manipulations or attacks could not have changed the outcome. For the remaining predictions without guarantees, the method abstains from making a prediction, and a fallback strategy needs to be invoked, which typically incurs additional costs, can require a human operator, or even fail to provide any prediction. While this is a key concept towards safe and secure AI, we show for the first time that this approach comes with its own security risks, as such fallback strategies can be deliberately triggered by an adversary. In addition to naturally occurring abstains for some inputs and perturbations, the adversary can use training-time attacks to deliberately trigger the fallback with high probability. This transfers the main system load onto the fallback, reducing the overall system's integrity and/or availability. We design two novel availability attacks, which show the practical relevance of these threats. For example, adding 1% poisoned data during training is sufficient to trigger the fallback and hence make the model unavailable for up to 100% of all inputs by inserting the trigger. Our extensive experiments across multiple datasets, model architectures, and certifiers demonstrate the broad applicability of these attacks. An initial investigation into potential defenses shows that current approaches are insufficient to mitigate the issue, highlighting the need for new, specific solutions.

Neural network pruning is an essential technique for reducing the size and complexity of deep neural networks, enabling large-scale models on devices with limited resources. However, existing pruning approaches heavily rely on training data for guiding the pruning strategies, making them ineffective for federated learning over distributed and confidential datasets. Additionally, the memory- and computation-intensive pruning process becomes infeasible for recourse-constrained devices in federated learning. To address these challenges, we propose FedTiny, a distributed pruning framework for federated learning that generates specialized tiny models for memory- and computing-constrained devices. We introduce two key modules in FedTiny to adaptively search coarse- and finer-pruned specialized models to fit deployment scenarios with sparse and cheap local computation. First, an adaptive batch normalization selection module is designed to mitigate biases in pruning caused by the heterogeneity of local data. Second, a lightweight progressive pruning module aims to finer prune the models under strict memory and computational budgets, allowing the pruning policy for each layer to be gradually determined rather than evaluating the overall model structure. The experimental results demonstrate the effectiveness of FedTiny, which outperforms state-of-the-art approaches, particularly when compressing deep models to extremely sparse tiny models. FedTiny achieves an accuracy improvement of 2.61% while significantly reducing the computational cost by 95.91% and the memory footprint by 94.01% compared to state-of-the-art methods.

Institutional investors have been increasing the allocation of the illiquid alternative assets such as private equity funds in their portfolios, yet there exists a very limited literature on cash flow forecasting of illiquid alternative assets. The net cash flow of private equity funds typically follow a J-curve pattern, however the timing and the size of the contributions and distributions depend on the investment opportunities. In this paper, we develop a benchmark model and present two novel approaches (direct vs. indirect) to predict the cash flows of private equity funds. We introduce a sliding window approach to apply on our cash flow data because different vintage year funds contain different lengths of cash flow information. We then pass the data to an LSTM/ GRU model to predict the future cash flows either directly or indirectly (based on the benchmark model). We further integrate macroeconomic indicators into our data, which allows us to consider the impact of market environment on cash flows and to apply stress testing. Our results indicate that the direct model is easier to implement compared to the benchmark model and the indirect model, but still the predicted cash flows align better with the actual cash flows. We also show that macroeconomic variables improve the performance of the direct model whereas the impact is not obvious on the indirect model.

The performance of Deep Neural Networks (DNNs) keeps elevating in recent years with increasing network depth and width. To enable DNNs on edge devices like mobile phones, researchers proposed several network compression methods including pruning, quantization and factorization. Among the factorization-based approaches, low-rank approximation has been widely adopted because of its solid theoretical rationale and efficient implementations. Several previous works attempted to directly approximate a pre-trained model by low-rank decomposition; however, small approximation errors in parameters can ripple a large prediction loss. As a result, performance usually drops significantly and a sophisticated fine-tuning is required to recover accuracy. We argue that it is not optimal to separate low-rank approximation from training. Unlike previous works, this paper integrates low rank approximation and regularization into the training. We propose Trained Rank Pruning (TRP), which iterates low rank approximation and training. TRP maintains the capacity of original network while imposes low-rank constraints during training. A stochastic sub-gradient descent optimized nuclear regularization is utilized to further encourage low rank in TRP. The TRP trained network has low-rank structure in nature, and can be approximated with negligible performance loss, eliminating fine-tuning after low rank approximation. The methods are comprehensively evaluated on CIFAR-10 and ImageNet, outperforming previous compression methods using low rank approximation. Code is available: https://github.com/yuhuixu1993/Trained-Rank-Pruning

Spiking neural networks (SNNs) have shown their competence in handling spatial-temporal event-based data with low energy consumption. Similar to conventional artificial neural networks (ANNs), SNNs are also vulnerable to gradient-based adversarial attacks, wherein gradients are calculated by spatial-temporal back-propagation (STBP) and surrogate gradients (SGs). However, the SGs may be invisible for an inference-only model as they do not influence the inference results, and current gradient-based attacks are ineffective for binary dynamic images captured by the dynamic vision sensor (DVS). While some approaches addressed the issue of invisible SGs through universal SGs, their SGs lack a correlation with the victim model, resulting in sub-optimal performance. Moreover, the imperceptibility of existing SNN-based binary attacks is still insufficient. In this paper, we introduce an innovative potential-dependent surrogate gradient (PDSG) method to establish a robust connection between the SG and the model, thereby enhancing the adaptability of adversarial attacks across various models with invisible SGs. Additionally, we propose the sparse dynamic attack (SDA) to effectively attack binary dynamic images. Utilizing a generation-reduction paradigm, SDA can fully optimize the sparsity of adversarial perturbations. Experimental results demonstrate that our PDSG and SDA outperform state-of-the-art SNN-based attacks across various models and datasets. Specifically, our PDSG achieves 100% attack success rate on ImageNet, and our SDA obtains 82% attack success rate by modifying only 0.24% of the pixels on CIFAR10DVS. The code is available at https://github.com/ryime/PDSG-SDA .

Message-passing graph neural networks (MPNNs) emerged as powerful tools for processing graph-structured input. However, they operate on a fixed input graph structure, ignoring potential noise and missing information. Furthermore, their local aggregation mechanism can lead to problems such as over-squashing and limited expressive power in capturing relevant graph structures. Existing solutions to these challenges have primarily relied on heuristic methods, often disregarding the underlying data distribution. Hence, devising principled approaches for learning to infer graph structures relevant to the given prediction task remains an open challenge. In this work, leveraging recent progress in exact and differentiable k-subset sampling, we devise probabilistically rewired MPNNs (PR-MPNNs), which learn to add relevant edges while omitting less beneficial ones. For the first time, our theoretical analysis explores how PR-MPNNs enhance expressive power, and we identify precise conditions under which they outperform purely randomized approaches. Empirically, we demonstrate that our approach effectively mitigates issues like over-squashing and under-reaching. In addition, on established real-world datasets, our method exhibits competitive or superior predictive performance compared to traditional MPNN models and recent graph transformer architectures.

Reasoning system dynamics is one of the most important analytical approaches for many scientific studies. With the initial state of a system as input, the recent graph neural networks (GNNs)-based methods are capable of predicting the future state distant in time with high accuracy. Although these methods have diverse designs in modeling the coordinates and interacting forces of the system, we show that they actually share a common paradigm that learns the integration of the velocity over the interval between the initial and terminal coordinates. However, their integrand is constant w.r.t. time. Inspired by this observation, we propose a new approach to predict the integration based on several velocity estimations with Newton-Cotes formulas and prove its effectiveness theoretically. Extensive experiments on several benchmarks empirically demonstrate consistent and significant improvement compared with the state-of-the-art methods.

Anytime neural networks (AnytimeNNs) are a promising solution to adaptively adjust the model complexity at runtime under various hardware resource constraints. However, the manually-designed AnytimeNNs are biased by designers' prior experience and thus provide sub-optimal solutions. To address the limitations of existing hand-crafted approaches, we first model the training process of AnytimeNNs as a discrete-time Markov chain (DTMC) and use it to identify the paths that contribute the most to the training of AnytimeNNs. Based on this new DTMC-based analysis, we further propose TIPS, a framework to automatically design AnytimeNNs under various hardware constraints. Our experimental results show that TIPS can improve the convergence rate and test accuracy of AnytimeNNs. Compared to the existing AnytimeNNs approaches, TIPS improves the accuracy by 2%-6.6% on multiple datasets and achieves SOTA accuracy-FLOPs tradeoffs.

Lipschitz constants are connected to many properties of neural networks, such as robustness, fairness, and generalization. Existing methods for computing Lipschitz constants either produce relatively loose upper bounds or are limited to small networks. In this paper, we develop an efficient framework for computing the ell_infty local Lipschitz constant of a neural network by tightly upper bounding the norm of Clarke Jacobian via linear bound propagation. We formulate the computation of local Lipschitz constants with a linear bound propagation process on a high-order backward graph induced by the chain rule of Clarke Jacobian. To enable linear bound propagation, we derive tight linear relaxations for specific nonlinearities in Clarke Jacobian. This formulate unifies existing ad-hoc approaches such as RecurJac, which can be seen as a special case of ours with weaker relaxations. The bound propagation framework also allows us to easily borrow the popular Branch-and-Bound (BaB) approach from neural network verification to further tighten Lipschitz constants. Experiments show that on tiny models, our method produces comparable bounds compared to exact methods that cannot scale to slightly larger models; on larger models, our method efficiently produces tighter results than existing relaxed or naive methods, and our method scales to much larger practical models that previous works could not handle. We also demonstrate an application on provable monotonicity analysis. Code is available at https://github.com/shizhouxing/Local-Lipschitz-Constants.

Although mission-critical applications require the use of deep neural networks (DNNs), their continuous execution at mobile devices results in a significant increase in energy consumption. While edge offloading can decrease energy consumption, erratic patterns in channel quality, network and edge server load can lead to severe disruption of the system's key operations. An alternative approach, called split computing, generates compressed representations within the model (called "bottlenecks"), to reduce bandwidth usage and energy consumption. Prior work has proposed approaches that introduce additional layers, to the detriment of energy consumption and latency. For this reason, we propose a new framework called BottleFit, which, in addition to targeted DNN architecture modifications, includes a novel training strategy to achieve high accuracy even with strong compression rates. We apply BottleFit on cutting-edge DNN models in image classification, and show that BottleFit achieves 77.1% data compression with up to 0.6% accuracy loss on ImageNet dataset, while state of the art such as SPINN loses up to 6% in accuracy. We experimentally measure the power consumption and latency of an image classification application running on an NVIDIA Jetson Nano board (GPU-based) and a Raspberry PI board (GPU-less). We show that BottleFit decreases power consumption and latency respectively by up to 49% and 89% with respect to (w.r.t.) local computing and by 37% and 55% w.r.t. edge offloading. We also compare BottleFit with state-of-the-art autoencoders-based approaches, and show that (i) BottleFit reduces power consumption and execution time respectively by up to 54% and 44% on the Jetson and 40% and 62% on Raspberry PI; (ii) the size of the head model executed on the mobile device is 83 times smaller. We publish the code repository for reproducibility of the results in this study.

This paper introduces SuperGlue, a neural network that matches two sets of local features by jointly finding correspondences and rejecting non-matchable points. Assignments are estimated by solving a differentiable optimal transport problem, whose costs are predicted by a graph neural network. We introduce a flexible context aggregation mechanism based on attention, enabling SuperGlue to reason about the underlying 3D scene and feature assignments jointly. Compared to traditional, hand-designed heuristics, our technique learns priors over geometric transformations and regularities of the 3D world through end-to-end training from image pairs. SuperGlue outperforms other learned approaches and achieves state-of-the-art results on the task of pose estimation in challenging real-world indoor and outdoor environments. The proposed method performs matching in real-time on a modern GPU and can be readily integrated into modern SfM or SLAM systems. The code and trained weights are publicly available at https://github.com/magicleap/SuperGluePretrainedNetwork.

Image segmentation plays an essential role in medicine for both diagnostic and interventional tasks. Segmentation approaches are either manual, semi-automated or fully-automated. Manual segmentation offers full control over the quality of the results, but is tedious, time consuming and prone to operator bias. Fully automated methods require no human effort, but often deliver sub-optimal results without providing users with the means to make corrections. Semi-automated approaches keep users in control of the results by providing means for interaction, but the main challenge is to offer a good trade-off between precision and required interaction. In this paper we present a deep learning (DL) based semi-automated segmentation approach that aims to be a "smart" interactive tool for region of interest delineation in medical images. We demonstrate its use for segmenting multiple organs on computed tomography (CT) of the abdomen. Our approach solves some of the most pressing clinical challenges: (i) it requires only one to a few user clicks to deliver excellent 2D segmentations in a fast and reliable fashion; (ii) it can generalize to previously unseen structures and "corner cases"; (iii) it delivers results that can be corrected quickly in a smart and intuitive way up to an arbitrary degree of precision chosen by the user and (iv) ensures high accuracy. We present our approach and compare it to other techniques and previous work to show the advantages brought by our method.

We propose an empirical measure of the approximate accuracy of feature importance estimates in deep neural networks. Our results across several large-scale image classification datasets show that many popular interpretability methods produce estimates of feature importance that are not better than a random designation of feature importance. Only certain ensemble based approaches---VarGrad and SmoothGrad-Squared---outperform such a random assignment of importance. The manner of ensembling remains critical, we show that some approaches do no better then the underlying method but carry a far higher computational burden.

Convolutional neural networks (CNNs) have been successfully applied to many recognition and learning tasks using a universal recipe; training a deep model on a very large dataset of supervised examples. However, this approach is rather restrictive in practice since collecting a large set of labeled images is very expensive. One way to ease this problem is coming up with smart ways for choosing images to be labelled from a very large collection (ie. active learning). Our empirical study suggests that many of the active learning heuristics in the literature are not effective when applied to CNNs in batch setting. Inspired by these limitations, we define the problem of active learning as core-set selection, ie. choosing set of points such that a model learned over the selected subset is competitive for the remaining data points. We further present a theoretical result characterizing the performance of any selected subset using the geometry of the datapoints. As an active learning algorithm, we choose the subset which is expected to yield best result according to our characterization. Our experiments show that the proposed method significantly outperforms existing approaches in image classification experiments by a large margin.

We seek to improve deep neural networks by generalizing the pooling operations that play a central role in current architectures. We pursue a careful exploration of approaches to allow pooling to learn and to adapt to complex and variable patterns. The two primary directions lie in (1) learning a pooling function via (two strategies of) combining of max and average pooling, and (2) learning a pooling function in the form of a tree-structured fusion of pooling filters that are themselves learned. In our experiments every generalized pooling operation we explore improves performance when used in place of average or max pooling. We experimentally demonstrate that the proposed pooling operations provide a boost in invariance properties relative to conventional pooling and set the state of the art on several widely adopted benchmark datasets; they are also easy to implement, and can be applied within various deep neural network architectures. These benefits come with only a light increase in computational overhead during training and a very modest increase in the number of model parameters.

Deep neural networks such as AlphaFold and RoseTTAFold predict remarkably accurate structures of proteins compared to other algorithmic approaches. It is known that biologically small perturbations in the protein sequence do not lead to drastic changes in the protein structure. In this paper, we demonstrate that RoseTTAFold does not exhibit such a robustness despite its high accuracy, and biologically small perturbations for some input sequences result in radically different predicted protein structures. This raises the challenge of detecting when these predicted protein structures cannot be trusted. We define the robustness measure for the predicted structure of a protein sequence to be the inverse of the root-mean-square distance (RMSD) in the predicted structure and the structure of its adversarially perturbed sequence. We use adversarial attack methods to create adversarial protein sequences, and show that the RMSD in the predicted protein structure ranges from 0.119A to 34.162A when the adversarial perturbations are bounded by 20 units in the BLOSUM62 distance. This demonstrates very high variance in the robustness measure of the predicted structures. We show that the magnitude of the correlation (0.917) between our robustness measure and the RMSD between the predicted structure and the ground truth is high, that is, the predictions with low robustness measure cannot be trusted. This is the first paper demonstrating the susceptibility of RoseTTAFold to adversarial attacks.

Solving the optimal power flow (OPF) problem in real-time electricity market improves the efficiency and reliability in the integration of low-carbon energy resources into the power grids. To address the scalability and adaptivity issues of existing end-to-end OPF learning solutions, we propose a new graph neural network (GNN) framework for predicting the electricity market prices from solving OPFs. The proposed GNN-for-OPF framework innovatively exploits the locality property of prices and introduces physics-aware regularization, while attaining reduced model complexity and fast adaptivity to varying grid topology. Numerical tests have validated the learning efficiency and adaptivity improvements of our proposed method over existing approaches.

Deep neural networks that achieve remarkable performance in image classification have previously been shown to be easily fooled by tiny transformations such as a one pixel translation of the input image. In order to address this problem, two approaches have been proposed in recent years. The first approach suggests using huge datasets together with data augmentation in the hope that a highly varied training set will teach the network to learn to be invariant. The second approach suggests using architectural modifications based on sampling theory to deal explicitly with image translations. In this paper, we show that these approaches still fall short in robustly handling 'natural' image translations that simulate a subtle change in camera orientation. Our findings reveal that a mere one-pixel translation can result in a significant change in the predicted image representation for approximately 40% of the test images in state-of-the-art models (e.g. open-CLIP trained on LAION-2B or DINO-v2) , while models that are explicitly constructed to be robust to cyclic translations can still be fooled with 1 pixel realistic (non-cyclic) translations 11% of the time. We present Robust Inference by Crop Selection: a simple method that can be proven to achieve any desired level of consistency, although with a modest tradeoff with the model's accuracy. Importantly, we demonstrate how employing this method reduces the ability to fool state-of-the-art models with a 1 pixel translation to less than 5% while suffering from only a 1% drop in classification accuracy. Additionally, we show that our method can be easy adjusted to deal with circular shifts as well. In such case we achieve 100% robustness to integer shifts with state-of-the-art accuracy, and with no need for any further training.

Grid decarbonization for climate change requires dispatchable carbon-free energy like nuclear fusion. The tokamak concept offers a promising path for fusion, but one of the foremost challenges in implementation is the occurrence of energetic plasma disruptions. In this study, we delve into Machine Learning approaches to predict plasma state outcomes. Our contributions are twofold: (1) We present a novel application of Continuous Convolutional Neural Networks for disruption prediction and (2) We examine the advantages and disadvantages of continuous models over discrete models for disruption prediction by comparing our model with the previous, discrete state of the art, and show that continuous models offer significantly better performance (Area Under the Receiver Operating Characteristic Curve = 0.974 v.s. 0.799) with fewer parameters

This paper presents a survey of methods for pruning deep neural networks. It begins by categorising over 150 studies based on the underlying approach used and then focuses on three categories: methods that use magnitude based pruning, methods that utilise clustering to identify redundancy, and methods that use sensitivity analysis to assess the effect of pruning. Some of the key influencing studies within these categories are presented to highlight the underlying approaches and results achieved. Most studies present results which are distributed in the literature as new architectures, algorithms and data sets have developed with time, making comparison across different studied difficult. The paper therefore provides a resource for the community that can be used to quickly compare the results from many different methods on a variety of data sets, and a range of architectures, including AlexNet, ResNet, DenseNet and VGG. The resource is illustrated by comparing the results published for pruning AlexNet and ResNet50 on ImageNet and ResNet56 and VGG16 on the CIFAR10 data to reveal which pruning methods work well in terms of retaining accuracy whilst achieving good compression rates. The paper concludes by identifying some promising directions for future research.

Detecting anomalies is important for identifying inefficiencies, errors, or fraud in business processes. Traditional process mining approaches focus on analyzing 'flattened', sequential, event logs based on a single case notion. However, many real-world process executions exhibit a graph-like structure, where events can be associated with multiple cases. Flattening event logs requires selecting a single case identifier which creates a gap with the real event data and artificially introduces anomalies in the event logs. Object-centric process mining avoids these limitations by allowing events to be related to different cases. This study proposes a novel framework for anomaly detection in business processes that exploits graph neural networks and the enhanced information offered by object-centric process mining. We first reconstruct and represent the process dependencies of the object-centric event logs as attributed graphs and then employ a graph convolutional autoencoder architecture to detect anomalous events. Our results show that our approach provides promising performance in detecting anomalies at the activity type and attributes level, although it struggles to detect anomalies in the temporal order of events.

Meta-learning usually refers to a learning algorithm that learns from other learning algorithms. The problem of uncertainty in the predictions of neural networks shows that the world is only partially predictable and a learned neural network cannot generalize to its ever-changing surrounding environments. Therefore, the question is how a predictive model can represent multiple predictions simultaneously. We aim to provide a fundamental understanding of learning to learn in the contents of Decentralized Neural Networks (Decentralized NNs) and we believe this is one of the most important questions and prerequisites to building an autonomous intelligence machine. To this end, we shall demonstrate several pieces of evidence for tackling the problems above with Meta Learning in Decentralized NNs. In particular, we will present three different approaches to building such a decentralized learning system: (1) learning from many replica neural networks, (2) building the hierarchy of neural networks for different functions, and (3) leveraging different modality experts to learn cross-modal representations.

Spiking neural networks (SNNs) offer both compelling potential advantages, including energy efficiency and low latencies and challenges including the non-differentiable nature of event spikes. Much of the initial research in this area has converted deep neural networks to equivalent SNNs, but this conversion approach potentially negates some of the advantages of SNN-based approaches developed from scratch. One promising area for high-performance SNNs is template matching and image recognition. This research introduces the first high-performance SNN for the Visual Place Recognition (VPR) task: given a query image, the SNN has to find the closest match out of a list of reference images. At the core of this new system is a novel assignment scheme that implements a form of ambiguity-informed salience, by up-weighting single-place-encoding neurons and down-weighting "ambiguous" neurons that respond to multiple different reference places. In a range of experiments on the challenging Nordland, Oxford RobotCar, SPEDTest, Synthia, and St Lucia datasets, we show that our SNN achieves comparable VPR performance to state-of-the-art and classical techniques, and degrades gracefully in performance with an increasing number of reference places. Our results provide a significant milestone towards SNNs that can provide robust, energy-efficient, and low latency robot localization.

Recognizing arbitrary multi-character text in unconstrained natural photographs is a hard problem. In this paper, we address an equally hard sub-problem in this domain viz. recognizing arbitrary multi-digit numbers from Street View imagery. Traditional approaches to solve this problem typically separate out the localization, segmentation, and recognition steps. In this paper we propose a unified approach that integrates these three steps via the use of a deep convolutional neural network that operates directly on the image pixels. We employ the DistBelief implementation of deep neural networks in order to train large, distributed neural networks on high quality images. We find that the performance of this approach increases with the depth of the convolutional network, with the best performance occurring in the deepest architecture we trained, with eleven hidden layers. We evaluate this approach on the publicly available SVHN dataset and achieve over 96% accuracy in recognizing complete street numbers. We show that on a per-digit recognition task, we improve upon the state-of-the-art, achieving 97.84% accuracy. We also evaluate this approach on an even more challenging dataset generated from Street View imagery containing several tens of millions of street number annotations and achieve over 90% accuracy. To further explore the applicability of the proposed system to broader text recognition tasks, we apply it to synthetic distorted text from reCAPTCHA. reCAPTCHA is one of the most secure reverse turing tests that uses distorted text to distinguish humans from bots. We report a 99.8% accuracy on the hardest category of reCAPTCHA. Our evaluations on both tasks indicate that at specific operating thresholds, the performance of the proposed system is comparable to, and in some cases exceeds, that of human operators.

This paper introduces a novel Hamiltonian-inspired neural network approach to credit scoring, designed to address the challenges of class imbalance and out-of-time (OOT) prediction in financial risk management. Drawing from concepts in Hamiltonian mechanics, we develop a symplectic optimizer and a new loss function to capture the complex dynamics of credit risk evolution. Using the Freddie Mac Single-Family Loan-Level Dataset, we evaluate our model's performance against other machine learning approaches. Our method shows superior discriminative power in OOT scenarios, as measured by the Area Under the Curve (AUC), indicating better ranking ability and robustness to class imbalance. The Hamiltonian-inspired approach shows particular strength in maintaining consistent performance between in-sample and OOT test sets, suggesting improved generalization to future, unseen data. These findings suggest that physics-inspired techniques offer a promising direction for developing more robust and reliable credit scoring models, particularly in uncertain economic situations.

Spiking neural networks have significant potential utility in robotics due to their high energy efficiency on specialized hardware, but proof-of-concept implementations have not yet typically achieved competitive performance or capability with conventional approaches. In this paper, we tackle one of the key practical challenges of scalability by introducing a novel modular ensemble network approach, where compact, localized spiking networks each learn and are solely responsible for recognizing places in a local region of the environment only. This modular approach creates a highly scalable system. However, it comes with a high-performance cost where a lack of global regularization at deployment time leads to hyperactive neurons that erroneously respond to places outside their learned region. Our second contribution introduces a regularization approach that detects and removes these problematic hyperactive neurons during the initial environmental learning phase. We evaluate this new scalable modular system on benchmark localization datasets Nordland and Oxford RobotCar, with comparisons to standard techniques NetVLAD, DenseVLAD, and SAD, and a previous spiking neural network system. Our system substantially outperforms the previous SNN system on its small dataset, but also maintains performance on 27 times larger benchmark datasets where the operation of the previous system is computationally infeasible, and performs competitively with the conventional localization systems.

Developing models that can learn to reason is a notoriously challenging problem. We focus on reasoning in relational domains, where the use of Graph Neural Networks (GNNs) seems like a natural choice. However, previous work has shown that regular GNNs lack the ability to systematically generalize from training examples on test graphs requiring longer inference chains, which fundamentally limits their reasoning abilities. A common solution relies on neuro-symbolic methods that systematically reason by learning rules, but their scalability is often limited and they tend to make unrealistically strong assumptions, e.g.\ that the answer can always be inferred from a single relational path. We propose the Epistemic GNN (EpiGNN), a novel parameter-efficient and scalable GNN architecture with an epistemic inductive bias for systematic reasoning. Node embeddings in EpiGNNs are treated as epistemic states, and message passing is implemented accordingly. We show that EpiGNNs achieve state-of-the-art results on link prediction tasks that require systematic reasoning. Furthermore, for inductive knowledge graph completion, EpiGNNs rival the performance of state-of-the-art specialized approaches. Finally, we introduce two new benchmarks that go beyond standard relational reasoning by requiring the aggregation of information from multiple paths. Here, existing neuro-symbolic approaches fail, yet EpiGNNs learn to reason accurately. Code and datasets are available at https://github.com/erg0dic/gnn-sg.

Recently, a race towards the simplification of deep networks has begun, showing that it is effectively possible to reduce the size of these models with minimal or no performance loss. However, there is a general lack in understanding why these pruning strategies are effective. In this work, we are going to compare and analyze pruned solutions with two different pruning approaches, one-shot and gradual, showing the higher effectiveness of the latter. In particular, we find that gradual pruning allows access to narrow, well-generalizing minima, which are typically ignored when using one-shot approaches. In this work we also propose PSP-entropy, a measure to understand how a given neuron correlates to some specific learned classes. Interestingly, we observe that the features extracted by iteratively-pruned models are less correlated to specific classes, potentially making these models a better fit in transfer learning approaches.

The objective of personalized medicine is to tailor interventions to an individual patient's unique characteristics. A key technology for this purpose involves medical digital twins, computational models of human biology that can be personalized and dynamically updated to incorporate patient-specific data collected over time. Certain aspects of human biology, such as the immune system, are not easily captured with physics-based models, such as differential equations. Instead, they are often multi-scale, stochastic, and hybrid. This poses a challenge to existing model-based control and optimization approaches that cannot be readily applied to such models. Recent advances in automatic differentiation and neural-network control methods hold promise in addressing complex control problems. However, the application of these approaches to biomedical systems is still in its early stages. This work introduces dynamics-informed neural-network controllers as an alternative approach to control of medical digital twins. As a first use case for this method, the focus is on agent-based models, a versatile and increasingly common modeling platform in biomedicine. The effectiveness of the proposed neural-network control method is illustrated and benchmarked against other methods with two widely-used agent-based model types. The relevance of the method introduced here extends beyond medical digital twins to other complex dynamical systems.

To advance automated detection of extreme weather events, which are increasing in frequency and intensity with climate change, we explore modifications to a novel light-weight Context Guided convolutional neural network architecture trained for semantic segmentation of tropical cyclones and atmospheric rivers in climate data. Our primary focus is on tropical cyclones, the most destructive weather events, for which current models show limited performance. We investigate feature engineering, data augmentation, learning rate modifications, alternative loss functions, and architectural changes. In contrast to previous approaches optimizing for intersection over union, we specifically seek to improve recall to penalize under-counting and prioritize identification of tropical cyclones. We report success through the use of weighted loss functions to counter class imbalance for these rare events. We conclude with directions for future research on extreme weather events detection, a crucial task for prediction, mitigation, and equitable adaptation to the impacts of climate change.

Active learning is perhaps most naturally posed as an online learning problem. However, prior active learning approaches with deep neural networks assume offline access to the entire dataset ahead of time. This paper proposes VeSSAL, a new algorithm for batch active learning with deep neural networks in streaming settings, which samples groups of points to query for labels at the moment they are encountered. Our approach trades off between uncertainty and diversity of queried samples to match a desired query rate without requiring any hand-tuned hyperparameters. Altogether, we expand the applicability of deep neural networks to realistic active learning scenarios, such as applications relevant to HCI and large, fractured datasets.

Recent works have demonstrated the benefits of capturing long-distance dependency in graphs by deeper graph neural networks (GNNs). But deeper GNNs suffer from the long-lasting scalability challenge due to the neighborhood explosion problem in large-scale graphs. In this work, we propose to capture long-distance dependency in graphs by shallower models instead of deeper models, which leads to a much more efficient model, LazyGNN, for graph representation learning. Moreover, we demonstrate that LazyGNN is compatible with existing scalable approaches (such as sampling methods) for further accelerations through the development of mini-batch LazyGNN. Comprehensive experiments demonstrate its superior prediction performance and scalability on large-scale benchmarks. The implementation of LazyGNN is available at https://github.com/RXPHD/Lazy_GNN.

Clinical Natural Language Processing (NLP) has become an emerging technology in healthcare that leverages a large amount of free-text data in electronic health records (EHRs) to improve patient care, support clinical decisions, and facilitate clinical and translational science research. Recently, deep learning has achieved state-of-the-art performance in many clinical NLP tasks. However, training deep learning models usually requires large annotated datasets, which are normally not publicly available and can be time-consuming to build in clinical domains. Working with smaller annotated datasets is typical in clinical NLP and therefore, ensuring that deep learning models perform well is crucial for the models to be used in real-world applications. A widely adopted approach is fine-tuning existing Pre-trained Language Models (PLMs), but these attempts fall short when the training dataset contains only a few annotated samples. Few-Shot Learning (FSL) has recently been investigated to tackle this problem. Siamese Neural Network (SNN) has been widely utilized as an FSL approach in computer vision, but has not been studied well in NLP. Furthermore, the literature on its applications in clinical domains is scarce. In this paper, we propose two SNN-based FSL approaches for clinical NLP, including Pre-Trained SNN (PT-SNN) and SNN with Second-Order Embeddings (SOE-SNN). We evaluated the proposed approaches on two clinical tasks, namely clinical text classification and clinical named entity recognition. We tested three few-shot settings including 4-shot, 8-shot, and 16-shot learning. Both clinical NLP tasks were benchmarked using three PLMs, including BERT,BioBERT, and BioClinicalBERT. The experimental results verified the effectiveness of the proposed SNN-based FSL approaches in both NLP tasks.

With few exceptions, neural networks have been relying on backpropagation and gradient descent as the inference engine in order to learn the model parameters, because the closed-form Bayesian inference for neural networks has been considered to be intractable. In this paper, we show how we can leverage the tractable approximate Gaussian inference's (TAGI) capabilities to infer hidden states, rather than only using it for inferring the network's parameters. One novel aspect it allows is to infer hidden states through the imposition of constraints designed to achieve specific objectives, as illustrated through three examples: (1) the generation of adversarial-attack examples, (2) the usage of a neural network as a black-box optimization method, and (3) the application of inference on continuous-action reinforcement learning. These applications showcase how tasks that were previously reserved to gradient-based optimization approaches can now be approached with analytically tractable inference

The abundance of data has given machine learning considerable momentum in natural sciences and engineering, though modeling of physical processes is often difficult. A particularly tough problem is the efficient representation of geometric boundaries. Triangularized geometric boundaries are well understood and ubiquitous in engineering applications. However, it is notoriously difficult to integrate them into machine learning approaches due to their heterogeneity with respect to size and orientation. In this work, we introduce an effective theory to model particle-boundary interactions, which leads to our new Boundary Graph Neural Networks (BGNNs) that dynamically modify graph structures to obey boundary conditions. The new BGNNs are tested on complex 3D granular flow processes of hoppers, rotating drums and mixers, which are all standard components of modern industrial machinery but still have complicated geometry. BGNNs are evaluated in terms of computational efficiency as well as prediction accuracy of particle flows and mixing entropies. BGNNs are able to accurately reproduce 3D granular flows within simulation uncertainties over hundreds of thousands of simulation timesteps. Most notably, in our experiments, particles stay within the geometric objects without using handcrafted conditions or restrictions.

Text-to-image synthesis refers to computational methods which translate human written textual descriptions, in the form of keywords or sentences, into images with similar semantic meaning to the text. In earlier research, image synthesis relied mainly on word to image correlation analysis combined with supervised methods to find best alignment of the visual content matching to the text. Recent progress in deep learning (DL) has brought a new set of unsupervised deep learning methods, particularly deep generative models which are able to generate realistic visual images using suitably trained neural network models. In this paper, we review the most recent development in the text-to-image synthesis research domain. Our survey first introduces image synthesis and its challenges, and then reviews key concepts such as generative adversarial networks (GANs) and deep convolutional encoder-decoder neural networks (DCNN). After that, we propose a taxonomy to summarize GAN based text-to-image synthesis into four major categories: Semantic Enhancement GANs, Resolution Enhancement GANs, Diversity Enhancement GANS, and Motion Enhancement GANs. We elaborate the main objective of each group, and further review typical GAN architectures in each group. The taxonomy and the review outline the techniques and the evolution of different approaches, and eventually provide a clear roadmap to summarize the list of contemporaneous solutions that utilize GANs and DCNNs to generate enthralling results in categories such as human faces, birds, flowers, room interiors, object reconstruction from edge maps (games) etc. The survey will conclude with a comparison of the proposed solutions, challenges that remain unresolved, and future developments in the text-to-image synthesis domain.

Recently, increasing attention has been drawn to the internal mechanisms of convolutional neural networks, and the reason why the network makes specific decisions. In this paper, we develop a novel post-hoc visual explanation method called Score-CAM based on class activation mapping. Unlike previous class activation mapping based approaches, Score-CAM gets rid of the dependence on gradients by obtaining the weight of each activation map through its forward passing score on target class, the final result is obtained by a linear combination of weights and activation maps. We demonstrate that Score-CAM achieves better visual performance and fairness for interpreting the decision making process. Our approach outperforms previous methods on both recognition and localization tasks, it also passes the sanity check. We also indicate its application as debugging tools. Official code has been released.

In this study, we propose a novel graph neural network called propagate-selector (PS), which propagates information over sentences to understand information that cannot be inferred when considering sentences in isolation. First, we design a graph structure in which each node represents an individual sentence, and some pairs of nodes are selectively connected based on the text structure. Then, we develop an iterative attentive aggregation and a skip-combine method in which a node interacts with its neighborhood nodes to accumulate the necessary information. To evaluate the performance of the proposed approaches, we conduct experiments with the standard HotpotQA dataset. The empirical results demonstrate the superiority of our proposed approach, which obtains the best performances, compared to the widely used answer-selection models that do not consider the intersentential relationship.

Identifying a small molecule from its mass spectrum is the primary open problem in computational metabolomics. This is typically cast as information retrieval: an unknown spectrum is matched against spectra predicted computationally from a large database of chemical structures. However, current approaches to spectrum prediction model the output space in ways that force a tradeoff between capturing high resolution mass information and tractable learning. We resolve this tradeoff by casting spectrum prediction as a mapping from an input molecular graph to a probability distribution over molecular formulas. We discover that a large corpus of mass spectra can be closely approximated using a fixed vocabulary constituting only 2% of all observed formulas. This enables efficient spectrum prediction using an architecture similar to graph classification - GrAFF-MS - achieving significantly lower prediction error and orders-of-magnitude faster runtime than state-of-the-art methods.

Prediction of future movement of stock prices has been a subject matter of many research work. In this work, we propose a hybrid approach for stock price prediction using machine learning and deep learning-based methods. We select the NIFTY 50 index values of the National Stock Exchange of India, over a period of four years, from January 2015 till December 2019. Based on the NIFTY data during the said period, we build various predictive models using machine learning approaches, and then use those models to predict the Close value of NIFTY 50 for the year 2019, with a forecast horizon of one week. For predicting the NIFTY index movement patterns, we use a number of classification methods, while for forecasting the actual Close values of NIFTY index, various regression models are built. We, then, augment our predictive power of the models by building a deep learning-based regression model using Convolutional Neural Network with a walk-forward validation. The CNN model is fine-tuned for its parameters so that the validation loss stabilizes with increasing number of iterations, and the training and validation accuracies converge. We exploit the power of CNN in forecasting the future NIFTY index values using three approaches which differ in number of variables used in forecasting, number of sub-models used in the overall models and, size of the input data for training the models. Extensive results are presented on various metrics for all classification and regression models. The results clearly indicate that CNN-based multivariate forecasting model is the most effective and accurate in predicting the movement of NIFTY index values with a weekly forecast horizon.

Deep learning has revolutionized many machine learning tasks in recent years, ranging from image classification and video processing to speech recognition and natural language understanding. The data in these tasks are typically represented in the Euclidean space. However, there is an increasing number of applications where data are generated from non-Euclidean domains and are represented as graphs with complex relationships and interdependency between objects. The complexity of graph data has imposed significant challenges on existing machine learning algorithms. Recently, many studies on extending deep learning approaches for graph data have emerged. In this survey, we provide a comprehensive overview of graph neural networks (GNNs) in data mining and machine learning fields. We propose a new taxonomy to divide the state-of-the-art graph neural networks into four categories, namely recurrent graph neural networks, convolutional graph neural networks, graph autoencoders, and spatial-temporal graph neural networks. We further discuss the applications of graph neural networks across various domains and summarize the open source codes, benchmark data sets, and model evaluation of graph neural networks. Finally, we propose potential research directions in this rapidly growing field.

Sound event localization and detection (SELD) has seen substantial advancements through learning-based methods. These systems, typically trained from scratch on specific datasets, have shown considerable generalization capabilities. Recently, deep neural networks trained on large-scale datasets have achieved remarkable success in the sound event classification (SEC) field, prompting an open question of whether these advancements can be extended to develop general-purpose SELD models. In this paper, leveraging the power of pre-trained SEC models, we propose pre-trained SELD networks (PSELDNets) on large-scale synthetic datasets. These synthetic datasets, generated by convolving sound events with simulated spatial room impulse responses (SRIRs), contain 1,167 hours of audio clips with an ontology of 170 sound classes. These PSELDNets are transferred to downstream SELD tasks. When we adapt PSELDNets to specific scenarios, particularly in low-resource data cases, we introduce a data-efficient fine-tuning method, AdapterBit. PSELDNets are evaluated on a synthetic-test-set using collected SRIRs from TAU Spatial Room Impulse Response Database (TAU-SRIR DB) and achieve satisfactory performance. We also conduct our experiments to validate the transferability of PSELDNets to three publicly available datasets and our own collected audio recordings. Results demonstrate that PSELDNets surpass state-of-the-art systems across all publicly available datasets. Given the need for direction-of-arrival estimation, SELD generally relies on sufficient multi-channel audio clips. However, incorporating the AdapterBit, PSELDNets show more efficient adaptability to various tasks using minimal multi-channel or even just monophonic audio clips, outperforming the traditional fine-tuning approaches.

In this paper, we approach the problem of uncertainty quantification in deep learning through a predictive framework, which captures uncertainty in model parameters by specifying our assumptions about the predictive distribution of unseen future data. Under this view, we show that deep ensembling (Lakshminarayanan et al., 2017) is a fundamentally mis-specified model class, since it assumes that future data are supported on existing observations only -- a situation rarely encountered in practice. To address this limitation, we propose MixupMP, a method that constructs a more realistic predictive distribution using popular data augmentation techniques. MixupMP operates as a drop-in replacement for deep ensembles, where each ensemble member is trained on a random simulation from this predictive distribution. Grounded in the recently-proposed framework of Martingale posteriors (Fong et al., 2023), MixupMP returns samples from an implicitly defined Bayesian posterior. Our empirical analysis showcases that MixupMP achieves superior predictive performance and uncertainty quantification on various image classification datasets, when compared with existing Bayesian and non-Bayesian approaches.

Temporal graphs are widely used to model dynamic systems with time-varying interactions. In real-world scenarios, the underlying mechanisms of generating future interactions in dynamic systems are typically governed by a set of recurring substructures within the graph, known as temporal motifs. Despite the success and prevalence of current temporal graph neural networks (TGNN), it remains uncertain which temporal motifs are recognized as the significant indications that trigger a certain prediction from the model, which is a critical challenge for advancing the explainability and trustworthiness of current TGNNs. To address this challenge, we propose a novel approach, called Temporal Motifs Explainer (TempME), which uncovers the most pivotal temporal motifs guiding the prediction of TGNNs. Derived from the information bottleneck principle, TempME extracts the most interaction-related motifs while minimizing the amount of contained information to preserve the sparsity and succinctness of the explanation. Events in the explanations generated by TempME are verified to be more spatiotemporally correlated than those of existing approaches, providing more understandable insights. Extensive experiments validate the superiority of TempME, with up to 8.21% increase in terms of explanation accuracy across six real-world datasets and up to 22.96% increase in boosting the prediction Average Precision of current TGNNs.

Adversarial training is well-known to produce high-quality neural network models that are empirically robust against adversarial perturbations. Nevertheless, once a model has been adversarially trained, one often desires a certification that the model is truly robust against all future attacks. Unfortunately, when faced with adversarially trained models, all existing approaches have significant trouble making certifications that are strong enough to be practically useful. Linear programming (LP) techniques in particular face a "convex relaxation barrier" that prevent them from making high-quality certifications, even after refinement with mixed-integer linear programming (MILP) and branch-and-bound (BnB) techniques. In this paper, we propose a nonconvex certification technique, based on a low-rank restriction of a semidefinite programming (SDP) relaxation. The nonconvex relaxation makes strong certifications comparable to much more expensive SDP methods, while optimizing over dramatically fewer variables comparable to much weaker LP methods. Despite nonconvexity, we show how off-the-shelf local optimization algorithms can be used to achieve and to certify global optimality in polynomial time. Our experiments find that the nonconvex relaxation almost completely closes the gap towards exact certification of adversarially trained models.

We present a data-driven approach for forecasting global weather using graph neural networks. The system learns to step forward the current 3D atmospheric state by six hours, and multiple steps are chained together to produce skillful forecasts going out several days into the future. The underlying model is trained on reanalysis data from ERA5 or forecast data from GFS. Test performance on metrics such as Z500 (geopotential height) and T850 (temperature) improves upon previous data-driven approaches and is comparable to operational, full-resolution, physical models from GFS and ECMWF, at least when evaluated on 1-degree scales and when using reanalysis initial conditions. We also show results from connecting this data-driven model to live, operational forecasts from GFS.

We introduce Explanatory Learning (EL), a framework to let machines use existing knowledge buried in symbolic sequences -- e.g. explanations written in hieroglyphic -- by autonomously learning to interpret them. In EL, the burden of interpreting symbols is not left to humans or rigid human-coded compilers, as done in Program Synthesis. Rather, EL calls for a learned interpreter, built upon a limited collection of symbolic sequences paired with observations of several phenomena. This interpreter can be used to make predictions on a novel phenomenon given its explanation, and even to find that explanation using only a handful of observations, like human scientists do. We formulate the EL problem as a simple binary classification task, so that common end-to-end approaches aligned with the dominant empiricist view of machine learning could, in principle, solve it. To these models, we oppose Critical Rationalist Networks (CRNs), which instead embrace a rationalist view on the acquisition of knowledge. CRNs express several desired properties by construction, they are truly explainable, can adjust their processing at test-time for harder inferences, and can offer strong confidence guarantees on their predictions. As a final contribution, we introduce Odeen, a basic EL environment that simulates a small flatland-style universe full of phenomena to explain. Using Odeen as a testbed, we show how CRNs outperform empiricist end-to-end approaches of similar size and architecture (Transformers) in discovering explanations for novel phenomena.

Dialogue act recognition is an important part of natural language understanding. We investigate the way dialogue act corpora are annotated and the learning approaches used so far. We find that the dialogue act is context-sensitive within the conversation for most of the classes. Nevertheless, previous models of dialogue act classification work on the utterance-level and only very few consider context. We propose a novel context-based learning method to classify dialogue acts using a character-level language model utterance representation, and we notice significant improvement. We evaluate this method on the Switchboard Dialogue Act corpus, and our results show that the consideration of the preceding utterances as a context of the current utterance improves dialogue act detection.

Creating fast and accurate force fields is a long-standing challenge in computational chemistry and materials science. Recently, several equivariant message passing neural networks (MPNNs) have been shown to outperform models built using other approaches in terms of accuracy. However, most MPNNs suffer from high computational cost and poor scalability. We propose that these limitations arise because MPNNs only pass two-body messages leading to a direct relationship between the number of layers and the expressivity of the network. In this work, we introduce MACE, a new equivariant MPNN model that uses higher body order messages. In particular, we show that using four-body messages reduces the required number of message passing iterations to just two, resulting in a fast and highly parallelizable model, reaching or exceeding state-of-the-art accuracy on the rMD17, 3BPA, and AcAc benchmark tasks. We also demonstrate that using higher order messages leads to an improved steepness of the learning curves.

Understanding the glassy nature of neural networks is pivotal both for theoretical and computational advances in Machine Learning and Theoretical Artificial Intelligence. Keeping the focus on dense associative Hebbian neural networks, the purpose of this paper is two-fold: at first we develop rigorous mathematical approaches to address properly a statistical mechanical picture of the phenomenon of {\em replica symmetry breaking} (RSB) in these networks, then -- deepening results stemmed via these routes -- we aim to inspect the {\em glassiness} that they hide. In particular, regarding the methodology, we provide two techniques: the former is an adaptation of the transport PDE to the case, while the latter is an extension of Guerra's interpolation breakthrough. Beyond coherence among the results, either in replica symmetric and in the one-step replica symmetry breaking level of description, we prove the Gardner's picture and we identify the maximal storage capacity by a ground-state analysis in the Baldi-Venkatesh high-storage regime. In the second part of the paper we investigate the glassy structure of these networks: in contrast with the replica symmetric scenario (RS), RSB actually stabilizes the spin-glass phase. We report huge differences w.r.t. the standard pairwise Hopfield limit: in particular, it is known that it is possible to express the free energy of the Hopfield neural network as a linear combination of the free energies of an hard spin glass (i.e. the Sherrington-Kirkpatrick model) and a soft spin glass (the Gaussian or "spherical" model). This is no longer true when interactions are more than pairwise (whatever the level of description, RS or RSB): for dense networks solely the free energy of the hard spin glass survives, proving a huge diversity in the underlying glassiness of associative neural networks.

The last decade has witnessed a boom of deep learning research and applications achieving state-of-the-art results in various domains. However, most advances have been established empirically, and their theoretical analysis remains lacking. One major issue is that our current interpretation of neural networks (NNs) as function approximators is too generic to support in-depth analysis. In this paper, we remedy this by proposing an alternative interpretation that identifies NNs as chain graphs (CGs) and feed-forward as an approximate inference procedure. The CG interpretation specifies the nature of each NN component within the rich theoretical framework of probabilistic graphical models, while at the same time remains general enough to cover real-world NNs with arbitrary depth, multi-branching and varied activations, as well as common structures including convolution / recurrent layers, residual block and dropout. We demonstrate with concrete examples that the CG interpretation can provide novel theoretical support and insights for various NN techniques, as well as derive new deep learning approaches such as the concept of partially collapsed feed-forward inference. It is thus a promising framework that deepens our understanding of neural networks and provides a coherent theoretical formulation for future deep learning research.

Graph generation with Machine Learning is an open problem with applications in various research fields. In this work, we propose to cast the generative process of a graph into a sequential one, relying on a node ordering procedure. We use this sequential process to design a novel generative model composed of two recurrent neural networks that learn to predict the edges of graphs: the first network generates one endpoint of each edge, while the second network generates the other endpoint conditioned on the state of the first. We test our approach extensively on five different datasets, comparing with two well-known baselines coming from graph literature, and two recurrent approaches, one of which holds state of the art performances. Evaluation is conducted considering quantitative and qualitative characteristics of the generated samples. Results show that our approach is able to yield novel, and unique graphs originating from very different distributions, while retaining structural properties very similar to those in the training sample. Under the proposed evaluation framework, our approach is able to reach performances comparable to the current state of the art on the graph generation task.

Sparse Neural Networks (SNNs) can potentially demonstrate similar performance to their dense counterparts while saving significant energy and memory at inference. However, the accuracy drop incurred by SNNs, especially at high pruning ratios, can be an issue in critical deployment conditions. While recent works mitigate this issue through sophisticated pruning techniques, we shift our focus to an overlooked factor: hyperparameters and activation functions. Our analyses have shown that the accuracy drop can additionally be attributed to (i) Using ReLU as the default choice for activation functions unanimously, and (ii) Fine-tuning SNNs with the same hyperparameters as dense counterparts. Thus, we focus on learning a novel way to tune activation functions for sparse networks and combining these with a separate hyperparameter optimization (HPO) regime for sparse networks. By conducting experiments on popular DNN models (LeNet-5, VGG-16, ResNet-18, and EfficientNet-B0) trained on MNIST, CIFAR-10, and ImageNet-16 datasets, we show that the novel combination of these two approaches, dubbed Sparse Activation Function Search, short: SAFS, results in up to 15.53%, 8.88%, and 6.33% absolute improvement in the accuracy for LeNet-5, VGG-16, and ResNet-18 over the default training protocols, especially at high pruning ratios. Our code can be found at https://github.com/automl/SAFS

Click-through rate (CTR) prediction, which aims to predict the probability of a user clicking on an ad or an item, is critical to many online applications such as online advertising and recommender systems. The problem is very challenging since (1) the input features (e.g., the user id, user age, item id, item category) are usually sparse and high-dimensional, and (2) an effective prediction relies on high-order combinatorial features (a.k.a. cross features), which are very time-consuming to hand-craft by domain experts and are impossible to be enumerated. Therefore, there have been efforts in finding low-dimensional representations of the sparse and high-dimensional raw features and their meaningful combinations. In this paper, we propose an effective and efficient method called the AutoInt to automatically learn the high-order feature interactions of input features. Our proposed algorithm is very general, which can be applied to both numerical and categorical input features. Specifically, we map both the numerical and categorical features into the same low-dimensional space. Afterwards, a multi-head self-attentive neural network with residual connections is proposed to explicitly model the feature interactions in the low-dimensional space. With different layers of the multi-head self-attentive neural networks, different orders of feature combinations of input features can be modeled. The whole model can be efficiently fit on large-scale raw data in an end-to-end fashion. Experimental results on four real-world datasets show that our proposed approach not only outperforms existing state-of-the-art approaches for prediction but also offers good explainability. Code is available at: https://github.com/DeepGraphLearning/RecommenderSystems.

Prior works on event-based optical flow estimation have investigated several gradient-based learning methods to train neural networks for predicting optical flow. However, they do not utilize the fast data rate of event data streams and rely on a spatio-temporal representation constructed from a collection of events over a fixed period of time (often between two grayscale frames). As a result, optical flow is only evaluated at a frequency much lower than the rate data is produced by an event-based camera, leading to a temporally sparse optical flow estimation. To predict temporally dense optical flow, we cast the problem as a sequential learning task and propose a training methodology to train sequential networks for continuous prediction on an event stream. We propose two types of networks: one focused on performance and another focused on compute efficiency. We first train long-short term memory networks (LSTMs) on the DSEC dataset and demonstrated 10x temporally dense optical flow estimation over existing flow estimation approaches. The additional benefit of having a memory to draw long temporal correlations back in time results in a 19.7% improvement in flow prediction accuracy of LSTMs over similar networks with no memory elements. We subsequently show that the inherent recurrence of spiking neural networks (SNNs) enables them to learn and estimate temporally dense optical flow with 31.8% lesser parameters than LSTM, but with a slightly increased error. This demonstrates potential for energy-efficient implementation of fast optical flow prediction using SNNs.

This paper investigates efficient deep neural networks (DNNs) to replace dense unstructured weight matrices with structured ones that possess desired properties. The challenge arises because the optimal weight matrix structure in popular neural network models is obscure in most cases and may vary from layer to layer even in the same network. Prior structured matrices proposed for efficient DNNs were mostly hand-crafted without a generalized framework to systematically learn them. To address this issue, we propose a generalized and differentiable framework to learn efficient structures of weight matrices by gradient descent. We first define a new class of structured matrices that covers a wide range of structured matrices in the literature by adjusting the structural parameters. Then, the frequency-domain differentiable parameterization scheme based on the Gaussian-Dirichlet kernel is adopted to learn the structural parameters by proximal gradient descent. On the image and language tasks, our method learns efficient DNNs with structured matrices, achieving lower complexity and/or higher performance than prior approaches that employ low-rank, block-sparse, or block-low-rank matrices.

Neuromorphic computing with spiking neural networks is promising for energy-efficient artificial intelligence (AI) applications. However, different from humans who continually learn different tasks in a lifetime, neural network models suffer from catastrophic forgetting. How could neuronal operations solve this problem is an important question for AI and neuroscience. Many previous studies draw inspiration from observed neuroscience phenomena and propose episodic replay or synaptic metaplasticity, but they are not guaranteed to explicitly preserve knowledge for neuron populations. Other works focus on machine learning methods with more mathematical grounding, e.g., orthogonal projection on high dimensional spaces, but there is no neural correspondence for neuromorphic computing. In this work, we develop a new method with neuronal operations based on lateral connections and Hebbian learning, which can protect knowledge by projecting activity traces of neurons into an orthogonal subspace so that synaptic weight update will not interfere with old tasks. We show that Hebbian and anti-Hebbian learning on recurrent lateral connections can effectively extract the principal subspace of neural activities and enable orthogonal projection. This provides new insights into how neural circuits and Hebbian learning can help continual learning, and also how the concept of orthogonal projection can be realized in neuronal systems. Our method is also flexible to utilize arbitrary training methods based on presynaptic activities/traces. Experiments show that our method consistently solves forgetting for spiking neural networks with nearly zero forgetting under various supervised training methods with different error propagation approaches, and outperforms previous approaches under various settings. Our method can pave a solid path for building continual neuromorphic computing systems.

Harmonic retrieval techniques are the foundation of radio channel sounding, estimation and modeling. This paper introduces a Deep Learning approach for two-dimensional spectral estimation from frequency and time samples of a radio channel transfer function. Our work can estimate two-dimensional parameters from a signal containing an unknown number of paths. In contrast to existing deep learning-based methods, the signal parameters are not estimated via classification but instead in a quasi-grid-free manner. This alleviates the bias, spectral leakage, and ghost targets that grid-based approaches inherently produce. The proposed architecture also reliably estimates the number of spectral components in the measurement. Hence, the architecture jointly solves the model order selection problem and the parameter estimation task. Additionally, we propose a multi-channel windowing of the data during preprocessing, increasing the resulting estimator's robustness. We verify the performance compared to existing harmonic retrieval methods and also show how it can be integrated into an existing maximum likelihood estimator for efficient initialization of a gradient-based iteration.

Quantized neural networks typically require smaller memory footprints and lower computation complexity, which is crucial for efficient deployment. However, quantization inevitably leads to a distribution divergence from the original network, which generally degrades the performance. To tackle this issue, massive efforts have been made, but most existing approaches lack statistical considerations and depend on several manual configurations. In this paper, we present an adaptive-mapping quantization method to learn an optimal latent sub-distribution that is inherent within models and smoothly approximated with a concrete Gaussian Mixture (GM). In particular, the network weights are projected in compliance with the GM-approximated sub-distribution. This sub-distribution evolves along with the weight update in a co-tuning schema guided by the direct task-objective optimization. Sufficient experiments on image classification and object detection over various modern architectures demonstrate the effectiveness, generalization property, and transferability of the proposed method. Besides, an efficient deployment flow for the mobile CPU is developed, achieving up to 7.46times inference acceleration on an octa-core ARM CPU. Our codes have been publicly released at https://github.com/RunpeiDong/DGMS.

Multivariate time series forecasting is an important machine learning problem across many domains, including predictions of solar plant energy output, electricity consumption, and traffic jam situation. Temporal data arise in these real-world applications often involves a mixture of long-term and short-term patterns, for which traditional approaches such as Autoregressive models and Gaussian Process may fail. In this paper, we proposed a novel deep learning framework, namely Long- and Short-term Time-series network (LSTNet), to address this open challenge. LSTNet uses the Convolution Neural Network (CNN) and the Recurrent Neural Network (RNN) to extract short-term local dependency patterns among variables and to discover long-term patterns for time series trends. Furthermore, we leverage traditional autoregressive model to tackle the scale insensitive problem of the neural network model. In our evaluation on real-world data with complex mixtures of repetitive patterns, LSTNet achieved significant performance improvements over that of several state-of-the-art baseline methods. All the data and experiment codes are available online.

Counterexample-guided repair aims at creating neural networks with mathematical safety guarantees, facilitating the application of neural networks in safety-critical domains. However, whether counterexample-guided repair is guaranteed to terminate remains an open question. We approach this question by showing that counterexample-guided repair can be viewed as a robust optimisation algorithm. While termination guarantees for neural network repair itself remain beyond our reach, we prove termination for more restrained machine learning models and disprove termination in a general setting. We empirically study the practical implications of our theoretical results, demonstrating the suitability of common verifiers and falsifiers for repair despite a disadvantageous theoretical result. Additionally, we use our theoretical insights to devise a novel algorithm for repairing linear regression models based on quadratic programming, surpassing existing approaches.

Softmax attention is the principle backbone of foundation models for various artificial intelligence applications, yet its quadratic complexity in sequence length can limit its inference throughput in long-context settings. To address this challenge, alternative architectures such as linear attention, State Space Models (SSMs), and Recurrent Neural Networks (RNNs) have been considered as more efficient alternatives. While connections between these approaches exist, such models are commonly developed in isolation and there is a lack of theoretical understanding of the shared principles underpinning these architectures and their subtle differences, greatly influencing performance and scalability. In this paper, we introduce the Dynamical Systems Framework (DSF), which allows a principled investigation of all these architectures in a common representation. Our framework facilitates rigorous comparisons, providing new insights on the distinctive characteristics of each model class. For instance, we compare linear attention and selective SSMs, detailing their differences and conditions under which both are equivalent. We also provide principled comparisons between softmax attention and other model classes, discussing the theoretical conditions under which softmax attention can be approximated. Additionally, we substantiate these new insights with empirical validations and mathematical arguments. This shows the DSF's potential to guide the systematic development of future more efficient and scalable foundation models.

We introduce extreme summarization, a new single-document summarization task which does not favor extractive strategies and calls for an abstractive modeling approach. The idea is to create a short, one-sentence news summary answering the question "What is the article about?". We collect a real-world, large-scale dataset for this task by harvesting online articles from the British Broadcasting Corporation (BBC). We propose a novel abstractive model which is conditioned on the article's topics and based entirely on convolutional neural networks. We demonstrate experimentally that this architecture captures long-range dependencies in a document and recognizes pertinent content, outperforming an oracle extractive system and state-of-the-art abstractive approaches when evaluated automatically and by humans.

Neural networks -- especially those that use large, pre-trained language models -- have improved search engines in various ways. Most prominently, they can estimate the relevance of a passage or document to a user's query. In this work, we depart from this direction by exploring whether neural networks can effectively predict which of a document's passages are unlikely to be relevant to any query submitted to the search engine. We refer to this query-agnostic estimation of passage relevance as a passage's quality. We find that our novel methods for estimating passage quality allow passage corpora to be pruned considerably while maintaining statistically equivalent effectiveness; our best methods can consistently prune >25% of passages in a corpora, across various retrieval pipelines. Such substantial pruning reduces the operating costs of neural search engines in terms of computing resources, power usage, and carbon footprint -- both when processing queries (thanks to a smaller index size) and when indexing (lightweight models can prune low-quality passages prior to the costly dense or learned sparse encoding step). This work sets the stage for developing more advanced neural "learning-what-to-index" methods.

Recently, learning-based models have enhanced the performance of single-image super-resolution (SISR). However, applying SISR successively to each video frame leads to a lack of temporal coherency. Convolutional neural networks (CNNs) outperform traditional approaches in terms of image quality metrics such as peak signal to noise ratio (PSNR) and structural similarity (SSIM). However, generative adversarial networks (GANs) offer a competitive advantage by being able to mitigate the issue of a lack of finer texture details, usually seen with CNNs when super-resolving at large upscaling factors. We present iSeeBetter, a novel GAN-based spatio-temporal approach to video super-resolution (VSR) that renders temporally consistent super-resolution videos. iSeeBetter extracts spatial and temporal information from the current and neighboring frames using the concept of recurrent back-projection networks as its generator. Furthermore, to improve the "naturality" of the super-resolved image while eliminating artifacts seen with traditional algorithms, we utilize the discriminator from super-resolution generative adversarial network (SRGAN). Although mean squared error (MSE) as a primary loss-minimization objective improves PSNR/SSIM, these metrics may not capture fine details in the image resulting in misrepresentation of perceptual quality. To address this, we use a four-fold (MSE, perceptual, adversarial, and total-variation (TV)) loss function. Our results demonstrate that iSeeBetter offers superior VSR fidelity and surpasses state-of-the-art performance.

Popular approaches for quantifying predictive uncertainty in deep neural networks often involve distributions over weights or multiple models, for instance via Markov Chain sampling, ensembling, or Monte Carlo dropout. These techniques usually incur overhead by having to train multiple model instances or do not produce very diverse predictions. This comprehensive and extensive survey aims to familiarize the reader with an alternative class of models based on the concept of Evidential Deep Learning: For unfamiliar data, they aim to admit "what they don't know", and fall back onto a prior belief. Furthermore, they allow uncertainty estimation in a single model and forward pass by parameterizing distributions over distributions. This survey recapitulates existing works, focusing on the implementation in a classification setting, before surveying the application of the same paradigm to regression. We also reflect on the strengths and weaknesses compared to other existing methods and provide the most fundamental derivations using a unified notation to aid future research.

Deep neural networks have shown promise for music audio signal processing applications, often surpassing prior approaches, particularly as end-to-end models in the waveform domain. Yet results to date have tended to be constrained by low sample rates, noise, narrow domains of signal types, and/or lack of parameterized controls (i.e. "knobs"), making their suitability for professional audio engineering workflows still lacking. This work expands on prior research published on modeling nonlinear time-dependent signal processing effects associated with music production by means of a deep neural network, one which includes the ability to emulate the parameterized settings you would see on an analog piece of equipment, with the goal of eventually producing commercially viable, high quality audio, i.e. 44.1 kHz sampling rate at 16-bit resolution. The results in this paper highlight progress in modeling these effects through architecture and optimization changes, towards increasing computational efficiency, lowering signal-to-noise ratio, and extending to a larger variety of nonlinear audio effects. Toward these ends, the strategies employed involved a three-pronged approach: model speed, model accuracy, and model generalizability. Most of the presented methods provide marginal or no increase in output accuracy over the original model, with the exception of dataset manipulation. We found that limiting the audio content of the dataset, for example using datasets of just a single instrument, provided a significant improvement in model accuracy over models trained on more general datasets.

Learning neural subset selection tasks, such as compound selection in AI-aided drug discovery, have become increasingly pivotal across diverse applications. The existing methodologies in the field primarily concentrate on constructing models that capture the relationship between utility function values and subsets within their respective supersets. However, these approaches tend to overlook the valuable information contained within the superset when utilizing neural networks to model set functions. In this work, we address this oversight by adopting a probabilistic perspective. Our theoretical findings demonstrate that when the target value is conditioned on both the input set and subset, it is essential to incorporate an invariant sufficient statistic of the superset into the subset of interest for effective learning. This ensures that the output value remains invariant to permutations of the subset and its corresponding superset, enabling identification of the specific superset from which the subset originated. Motivated by these insights, we propose a simple yet effective information aggregation module designed to merge the representations of subsets and supersets from a permutation invariance perspective. Comprehensive empirical evaluations across diverse tasks and datasets validate the enhanced efficacy of our approach over conventional methods, underscoring the practicality and potency of our proposed strategies in real-world contexts.

In recent years, neural implicit surface reconstruction has emerged as a popular paradigm for multi-view 3D reconstruction. Unlike traditional multi-view stereo approaches, the neural implicit surface-based methods leverage neural networks to represent 3D scenes as signed distance functions (SDFs). However, they tend to disregard the reconstruction of individual objects within the scene, which limits their performance and practical applications. To address this issue, previous work ObjectSDF introduced a nice framework of object-composition neural implicit surfaces, which utilizes 2D instance masks to supervise individual object SDFs. In this paper, we propose a new framework called ObjectSDF++ to overcome the limitations of ObjectSDF. First, in contrast to ObjectSDF whose performance is primarily restricted by its converted semantic field, the core component of our model is an occlusion-aware object opacity rendering formulation that directly volume-renders object opacity to be supervised with instance masks. Second, we design a novel regularization term for object distinction, which can effectively mitigate the issue that ObjectSDF may result in unexpected reconstruction in invisible regions due to the lack of constraint to prevent collisions. Our extensive experiments demonstrate that our novel framework not only produces superior object reconstruction results but also significantly improves the quality of scene reconstruction. Code and more resources can be found in https://qianyiwu.github.io/objectsdf++

In this work we develop a new method, named Sub-graph Permutation Equivariant Networks (SPEN), which provides a framework for building graph neural networks that operate on sub-graphs, while using a base update function that is permutation equivariant, that are equivariant to a novel choice of automorphism group. Message passing neural networks have been shown to be limited in their expressive power and recent approaches to over come this either lack scalability or require structural information to be encoded into the feature space. The general framework presented here overcomes the scalability issues associated with global permutation equivariance by operating more locally on sub-graphs. In addition, through operating on sub-graphs the expressive power of higher-dimensional global permutation equivariant networks is improved; this is due to fact that two non-distinguishable graphs often contain distinguishable sub-graphs. Furthermore, the proposed framework only requires a choice of k-hops for creating ego-network sub-graphs and a choice of representation space to be used for each layer, which makes the method easily applicable across a range of graph based domains. We experimentally validate the method on a range of graph benchmark classification tasks, demonstrating statistically indistinguishable results from the state-of-the-art on six out of seven benchmarks. Further, we demonstrate that the use of local update functions offers a significant improvement in GPU memory over global methods.

Learning feature representations of geographical space is vital for any machine learning model that integrates geolocated data, spanning application domains such as remote sensing, ecology, or epidemiology. Recent work mostly embeds coordinates using sine and cosine projections based on Double Fourier Sphere (DFS) features -- these embeddings assume a rectangular data domain even on global data, which can lead to artifacts, especially at the poles. At the same time, relatively little attention has been paid to the exact design of the neural network architectures these functional embeddings are combined with. This work proposes a novel location encoder for globally distributed geographic data that combines spherical harmonic basis functions, natively defined on spherical surfaces, with sinusoidal representation networks (SirenNets) that can be interpreted as learned Double Fourier Sphere embedding. We systematically evaluate the cross-product of positional embeddings and neural network architectures across various classification and regression benchmarks and synthetic evaluation datasets. In contrast to previous approaches that require the combination of both positional encoding and neural networks to learn meaningful representations, we show that both spherical harmonics and sinusoidal representation networks are competitive on their own but set state-of-the-art performances across tasks when combined. We provide source code at www.github.com/marccoru/locationencoder

We present Graph Neural Diffusion (GRAND) that approaches deep learning on graphs as a continuous diffusion process and treats Graph Neural Networks (GNNs) as discretisations of an underlying PDE. In our model, the layer structure and topology correspond to the discretisation choices of temporal and spatial operators. Our approach allows a principled development of a broad new class of GNNs that are able to address the common plights of graph learning models such as depth, oversmoothing, and bottlenecks. Key to the success of our models are stability with respect to perturbations in the data and this is addressed for both implicit and explicit discretisation schemes. We develop linear and nonlinear versions of GRAND, which achieve competitive results on many standard graph benchmarks.

We present a neural operator architecture to simulate Lagrangian dynamics, such as fluid flow, granular flows, and elastoplasticity. Traditional numerical methods, such as the finite element method (FEM), suffer from long run times and large memory consumption. On the other hand, approaches based on graph neural networks are faster but still suffer from long computation times on dense graphs, which are often required for high-fidelity simulations. Our model, GIOROM or Graph Interaction Operator for Reduced-Order Modeling, learns temporal dynamics within a reduced-order setting, capturing spatial features from a highly sparse graph representation of the input and generalizing to arbitrary spatial locations during inference. The model is geometry-aware and discretization-agnostic and can generalize to different initial conditions, velocities, and geometries after training. We show that point clouds of the order of 100,000 points can be inferred from sparse graphs with sim1000 points, with negligible change in computation time. We empirically evaluate our model on elastic solids, Newtonian fluids, Non-Newtonian fluids, Drucker-Prager granular flows, and von Mises elastoplasticity. On these benchmarks, our approach results in a 25times speedup compared to other neural network-based physics simulators while delivering high-fidelity predictions of complex physical systems and showing better performance on most benchmarks. The code and the demos are provided at https://github.com/HrishikeshVish/GIOROM.

Data augmentation has recently seen increased interest in NLP due to more work in low-resource domains, new tasks, and the popularity of large-scale neural networks that require large amounts of training data. Despite this recent upsurge, this area is still relatively underexplored, perhaps due to the challenges posed by the discrete nature of language data. In this paper, we present a comprehensive and unifying survey of data augmentation for NLP by summarizing the literature in a structured manner. We first introduce and motivate data augmentation for NLP, and then discuss major methodologically representative approaches. Next, we highlight techniques that are used for popular NLP applications and tasks. We conclude by outlining current challenges and directions for future research. Overall, our paper aims to clarify the landscape of existing literature in data augmentation for NLP and motivate additional work in this area. We also present a GitHub repository with a paper list that will be continuously updated at https://github.com/styfeng/DataAug4NLP

This paper presents a comparative analysis of the performances of three portfolio optimization approaches. Three approaches of portfolio optimization that are considered in this work are the mean-variance portfolio (MVP), hierarchical risk parity (HRP) portfolio, and reinforcement learning-based portfolio. The portfolios are trained and tested over several stock data and their performances are compared on their annual returns, annual risks, and Sharpe ratios. In the reinforcement learning-based portfolio design approach, the deep Q learning technique has been utilized. Due to the large number of possible states, the construction of the Q-table is done using a deep neural network. The historical prices of the 50 premier stocks from the Indian stock market, known as the NIFTY50 stocks, and several stocks from 10 important sectors of the Indian stock market are used to create the environment for training the agent.

Neural networks have enabled state-of-the-art approaches to achieve incredible results on computer vision tasks such as object detection. However, such success greatly relies on costly computation resources, which hinders people with cheap devices from appreciating the advanced technology. In this paper, we propose Cross Stage Partial Network (CSPNet) to mitigate the problem that previous works require heavy inference computations from the network architecture perspective. We attribute the problem to the duplicate gradient information within network optimization. The proposed networks respect the variability of the gradients by integrating feature maps from the beginning and the end of a network stage, which, in our experiments, reduces computations by 20% with equivalent or even superior accuracy on the ImageNet dataset, and significantly outperforms state-of-the-art approaches in terms of AP50 on the MS COCO object detection dataset. The CSPNet is easy to implement and general enough to cope with architectures based on ResNet, ResNeXt, and DenseNet. Source code is at https://github.com/WongKinYiu/CrossStagePartialNetworks.

Over the past few years, neural networks have re-emerged as powerful machine-learning models, yielding state-of-the-art results in fields such as image recognition and speech processing. More recently, neural network models started to be applied also to textual natural language signals, again with very promising results. This tutorial surveys neural network models from the perspective of natural language processing research, in an attempt to bring natural-language researchers up to speed with the neural techniques. The tutorial covers input encoding for natural language tasks, feed-forward networks, convolutional networks, recurrent networks and recursive networks, as well as the computation graph abstraction for automatic gradient computation.

Deep learning models have become increasingly useful in many different industries. On the domain of image classification, convolutional neural networks proved the ability to learn robust features for the closed set problem, as shown in many different datasets, such as MNIST FASHIONMNIST, CIFAR10, CIFAR100, and IMAGENET. These approaches use deep neural networks with dense layers with softmax activation functions in order to learn features that can separate classes in a latent space. However, this traditional approach is not useful for identifying classes unseen on the training set, known as the open set problem. A similar problem occurs in scenarios involving learning on small data. To tackle both problems, few-shot learning has been proposed. In particular, metric learning learns features that obey constraints of a metric distance in the latent space in order to perform classification. However, while this approach proves to be useful for the open set problem, current implementation requires pair-wise training, where both positive and negative examples of similar images are presented during the training phase, which limits the applicability of these approaches in large data or large class scenarios given the combinatorial nature of the possible inputs.In this paper, we present a constraint-based approach applied to the representations in the latent space under the normalized softmax loss, proposed by[18]. We experimentally validate the proposed approach for the classification of unseen classes on different datasets using both metric learning and the normalized softmax loss, on disjoint and joint scenarios. Our results show that not only our proposed strategy can be efficiently trained on larger set of classes, as it does not require pairwise learning, but also present better classification results than the metric learning strategies surpassing its accuracy by a significant margin.

Variational approaches based on neural networks are showing promise for estimating mutual information (MI) between high dimensional variables. However, they can be difficult to use in practice due to poorly understood bias/variance tradeoffs. We theoretically show that, under some conditions, estimators such as MINE exhibit variance that could grow exponentially with the true amount of underlying MI. We also empirically demonstrate that existing estimators fail to satisfy basic self-consistency properties of MI, such as data processing and additivity under independence. Based on a unified perspective of variational approaches, we develop a new estimator that focuses on variance reduction. Empirical results on standard benchmark tasks demonstrate that our proposed estimator exhibits improved bias-variance trade-offs on standard benchmark tasks.

We propose RoHM, an approach for robust 3D human motion reconstruction from monocular RGB(-D) videos in the presence of noise and occlusions. Most previous approaches either train neural networks to directly regress motion in 3D or learn data-driven motion priors and combine them with optimization at test time. The former do not recover globally coherent motion and fail under occlusions; the latter are time-consuming, prone to local minima, and require manual tuning. To overcome these shortcomings, we exploit the iterative, denoising nature of diffusion models. RoHM is a novel diffusion-based motion model that, conditioned on noisy and occluded input data, reconstructs complete, plausible motions in consistent global coordinates. Given the complexity of the problem -- requiring one to address different tasks (denoising and infilling) in different solution spaces (local and global motion) -- we decompose it into two sub-tasks and learn two models, one for global trajectory and one for local motion. To capture the correlations between the two, we then introduce a novel conditioning module, combining it with an iterative inference scheme. We apply RoHM to a variety of tasks -- from motion reconstruction and denoising to spatial and temporal infilling. Extensive experiments on three popular datasets show that our method outperforms state-of-the-art approaches qualitatively and quantitatively, while being faster at test time. The code will be available at https://sanweiliti.github.io/ROHM/ROHM.html.

Neural networks are known to produce poor uncertainty estimations, and a variety of approaches have been proposed to remedy this issue. This includes deep ensemble, a simple and effective method that achieves state-of-the-art results for uncertainty-aware learning tasks. In this work, we explore a combinatorial generalization of deep ensemble called deep combinatorial aggregation (DCA). DCA creates multiple instances of network components and aggregates their combinations to produce diversified model proposals and predictions. DCA components can be defined at different levels of granularity. And we discovered that coarse-grain DCAs can outperform deep ensemble for uncertainty-aware learning both in terms of predictive performance and uncertainty estimation. For fine-grain DCAs, we discover that an average parameterization approach named deep combinatorial weight averaging (DCWA) can improve the baseline training. It is on par with stochastic weight averaging (SWA) but does not require any custom training schedule or adaptation of BatchNorm layers. Furthermore, we propose a consistency enforcing loss that helps the training of DCWA and modelwise DCA. We experiment on in-domain, distributional shift, and out-of-distribution image classification tasks, and empirically confirm the effectiveness of DCWA and DCA approaches.

Single-image piece-wise planar 3D reconstruction aims to simultaneously segment plane instances and recover 3D plane parameters from an image. Most recent approaches leverage convolutional neural networks (CNNs) and achieve promising results. However, these methods are limited to detecting a fixed number of planes with certain learned order. To tackle this problem, we propose a novel two-stage method based on associative embedding, inspired by its recent success in instance segmentation. In the first stage, we train a CNN to map each pixel to an embedding space where pixels from the same plane instance have similar embeddings. Then, the plane instances are obtained by grouping the embedding vectors in planar regions via an efficient mean shift clustering algorithm. In the second stage, we estimate the parameter for each plane instance by considering both pixel-level and instance-level consistencies. With the proposed method, we are able to detect an arbitrary number of planes. Extensive experiments on public datasets validate the effectiveness and efficiency of our method. Furthermore, our method runs at 30 fps at the testing time, thus could facilitate many real-time applications such as visual SLAM and human-robot interaction. Code is available at https://github.com/svip-lab/PlanarReconstruction.

Deep neural networks can be exploited using natural adversarial samples, which do not impact human perception. Current approaches often rely on deep neural networks' white-box nature to generate these adversarial samples or synthetically alter the distribution of adversarial samples compared to the training distribution. In contrast, we propose EvoSeed, a novel evolutionary strategy-based algorithmic framework for generating photo-realistic natural adversarial samples. Our EvoSeed framework uses auxiliary Conditional Diffusion and Classifier models to operate in a black-box setting. We employ CMA-ES to optimize the search for an initial seed vector, which, when processed by the Conditional Diffusion Model, results in the natural adversarial sample misclassified by the Classifier Model. Experiments show that generated adversarial images are of high image quality, raising concerns about generating harmful content bypassing safety classifiers. Our research opens new avenues to understanding the limitations of current safety mechanisms and the risk of plausible attacks against classifier systems using image generation. Project Website can be accessed at: https://shashankkotyan.github.io/EvoSeed.

Planning for goal-oriented dialogue often requires simulating future dialogue interactions and estimating task progress. Many approaches thus consider training neural networks to perform look-ahead search algorithms such as A* search and Monte Carlo Tree Search (MCTS). However, this training often requires abundant annotated data, which creates challenges when faced with noisy annotations or low-resource settings. We introduce GDP-Zero, an approach using Open-Loop MCTS to perform goal-oriented dialogue policy planning without any model training. GDP-Zero prompts a large language model to act as a policy prior, value function, user simulator, and system model during the tree search. We evaluate GDP-Zero on the goal-oriented task PersuasionForGood, and find that its responses are preferred over ChatGPT up to 59.32% of the time, and are rated more persuasive than ChatGPT during interactive evaluations.

In Multi-Task Learning (MTL), tasks may compete and limit the performance achieved on each other, rather than guiding the optimization to a solution, superior to all its single-task trained counterparts. Since there is often not a unique solution optimal for all tasks, practitioners have to balance tradeoffs between tasks' performance, and resort to optimality in the Pareto sense. Most MTL methodologies either completely neglect this aspect, and instead of aiming at learning a Pareto Front, produce one solution predefined by their optimization schemes, or produce diverse but discrete solutions. Recent approaches parameterize the Pareto Front via neural networks, leading to complex mappings from tradeoff to objective space. In this paper, we conjecture that the Pareto Front admits a linear parameterization in parameter space, which leads us to propose Pareto Manifold Learning, an ensembling method in weight space. Our approach produces a continuous Pareto Front in a single training run, that allows to modulate the performance on each task during inference. Experiments on multi-task learning benchmarks, ranging from image classification to tabular datasets and scene understanding, show that Pareto Manifold Learning outperforms state-of-the-art single-point algorithms, while learning a better Pareto parameterization than multi-point baselines.

Handwriting recognition is a challenging and critical problem in the fields of pattern recognition and machine learning, with applications spanning a wide range of domains. In this paper, we focus on the specific issue of recognizing offline Arabic handwritten text. Existing approaches typically utilize a combination of convolutional neural networks for image feature extraction and recurrent neural networks for temporal modeling, with connectionist temporal classification used for text generation. However, these methods suffer from a lack of parallelization due to the sequential nature of recurrent neural networks. Furthermore, these models cannot account for linguistic rules, necessitating the use of an external language model in the post-processing stage to boost accuracy. To overcome these issues, we introduce two alternative architectures, namely the Transformer Transducer and the standard sequence-to-sequence Transformer, and compare their performance in terms of accuracy and speed. Our approach can model language dependencies and relies only on the attention mechanism, thereby making it more parallelizable and less complex. We employ pre-trained Transformers for both image understanding and language modeling. Our evaluation on the Arabic KHATT dataset demonstrates that our proposed method outperforms the current state-of-the-art approaches for recognizing offline Arabic handwritten text.

Although recent inpainting approaches have demonstrated significant improvements with deep neural networks, they still suffer from artifacts such as blunt structures and abrupt colors when filling in the missing regions. To address these issues, we propose an external-internal inpainting scheme with a monochromic bottleneck that helps image inpainting models remove these artifacts. In the external learning stage, we reconstruct missing structures and details in the monochromic space to reduce the learning dimension. In the internal learning stage, we propose a novel internal color propagation method with progressive learning strategies for consistent color restoration. Extensive experiments demonstrate that our proposed scheme helps image inpainting models produce more structure-preserved and visually compelling results.

Self-attention is an attention mechanism that learns a representation by relating different positions in the sequence. The transformer, which is a sequence model solely based on self-attention, and its variants achieved state-of-the-art results in many natural language processing tasks. Since music composes its semantics based on the relations between components in sparse positions, adopting the self-attention mechanism to solve music information retrieval (MIR) problems can be beneficial. Hence, we propose a self-attention based deep sequence model for music tagging. The proposed architecture consists of shallow convolutional layers followed by stacked Transformer encoders. Compared to conventional approaches using fully convolutional or recurrent neural networks, our model is more interpretable while reporting competitive results. We validate the performance of our model with the MagnaTagATune and the Million Song Dataset. In addition, we demonstrate the interpretability of the proposed architecture with a heat map visualization.

Graphs are widely used for modeling relational data in real-world scenarios, such as social networks and urban computing. Existing LLM-based graph analysis approaches either integrate graph neural networks (GNNs) for specific machine learning tasks, limiting their transferability, or rely solely on LLMs' internal reasoning ability, resulting in suboptimal performance. To address these limitations, we take advantage of recent advances in LLM-based agents, which have shown capabilities of utilizing external knowledge or tools for problem solving. By simulating human problem-solving strategies such as analogy and collaboration, we propose a multi-agent system based on LLMs named GraphTeam, for graph analysis. GraphTeam consists of five LLM-based agents from three modules, and the agents with different specialities can collaborate with each other to address complex problems. Specifically, (1) input-output normalization module: the question agent extracts and refines four key arguments from the original question, facilitating the problem understanding, and the answer agent organizes the results to meet the output requirement; (2) external knowledge retrieval module: we first build a knowledge base consisting of relevant documentation and experience information, and then the search agent retrieves the most relevant entries for each question. (3) problem-solving module: given the retrieved information from search agent, the coding agent uses established algorithms via programming to generate solutions, and in case the coding agent does not work, the reasoning agent will directly compute the results without programming. Extensive experiments on six graph analysis benchmarks demonstrate that GraphTeam achieves state-of-the-art performance with an average 25.85% improvement over the best baseline in terms of accuracy. The code and data are available at https://github.com/BUPT-GAMMA/GraphTeam.

In this paper, we present a novel approach to accelerate the Bayesian inference process, focusing specifically on the nested sampling algorithms. Bayesian inference plays a crucial role in cosmological parameter estimation, providing a robust framework for extracting theoretical insights from observational data. However, its computational demands can be substantial, primarily due to the need for numerous likelihood function evaluations. Our proposed method utilizes the power of deep learning, employing feedforward neural networks to approximate the likelihood function dynamically during the Bayesian inference process. Unlike traditional approaches, our method trains neural networks on-the-fly using the current set of live points as training data, without the need for pre-training. This flexibility enables adaptation to various theoretical models and datasets. We perform simple hyperparameter optimization using genetic algorithms to suggest initial neural network architectures for learning each likelihood function. Once sufficient accuracy is achieved, the neural network replaces the original likelihood function. The implementation integrates with nested sampling algorithms and has been thoroughly evaluated using both simple cosmological dark energy models and diverse observational datasets. Additionally, we explore the potential of genetic algorithms for generating initial live points within nested sampling inference, opening up new avenues for enhancing the efficiency and effectiveness of Bayesian inference methods.

A set of novel approaches for estimating epistemic uncertainty in deep neural networks with a single forward pass has recently emerged as a valid alternative to Bayesian Neural Networks. On the premise of informative representations, these deterministic uncertainty methods (DUMs) achieve strong performance on detecting out-of-distribution (OOD) data while adding negligible computational costs at inference time. However, it remains unclear whether DUMs are well calibrated and can seamlessly scale to real-world applications - both prerequisites for their practical deployment. To this end, we first provide a taxonomy of DUMs, and evaluate their calibration under continuous distributional shifts. Then, we extend them to semantic segmentation. We find that, while DUMs scale to realistic vision tasks and perform well on OOD detection, the practicality of current methods is undermined by poor calibration under distributional shifts.

There has recently been a surge of work in explanatory artificial intelligence (XAI). This research area tackles the important problem that complex machines and algorithms often cannot provide insights into their behavior and thought processes. XAI allows users and parts of the internal system to be more transparent, providing explanations of their decisions in some level of detail. These explanations are important to ensure algorithmic fairness, identify potential bias/problems in the training data, and to ensure that the algorithms perform as expected. However, explanations produced by these systems is neither standardized nor systematically assessed. In an effort to create best practices and identify open challenges, we provide our definition of explainability and show how it can be used to classify existing literature. We discuss why current approaches to explanatory methods especially for deep neural networks are insufficient. Finally, based on our survey, we conclude with suggested future research directions for explanatory artificial intelligence.

Program synthesis methods aim to automatically generate programs restricted to a language that can explain a given specification of input-output pairs. While purely symbolic approaches suffer from a combinatorial search space, recent methods leverage neural networks to learn distributions over program structures to narrow this search space significantly, enabling more efficient search. However, for challenging problems, it remains difficult to train models to perform program synthesis in one shot, making test-time search essential. Most neural methods lack structured search mechanisms during inference, relying instead on stochastic sampling or gradient updates, which can be inefficient. In this work, we propose the Latent Program Network (LPN), a general algorithm for program induction that learns a distribution over latent programs in a continuous space, enabling efficient search and test-time adaptation. We explore how to train these networks to optimize for test-time computation and demonstrate the use of gradient-based search both during training and at test time. We evaluate LPN on ARC-AGI, a program synthesis benchmark that evaluates performance by generalizing programs to new inputs rather than explaining the underlying specification. We show that LPN can generalize beyond its training distribution and adapt to unseen tasks by utilizing test-time computation, outperforming algorithms without test-time adaptation mechanisms.

Multi-hop question answering requires models to gather information from different parts of a text to answer a question. Most current approaches learn to address this task in an end-to-end way with neural networks, without maintaining an explicit representation of the reasoning process. We propose a method to extract a discrete reasoning chain over the text, which consists of a series of sentences leading to the answer. We then feed the extracted chains to a BERT-based QA model to do final answer prediction. Critically, we do not rely on gold annotated chains or "supporting facts:" at training time, we derive pseudogold reasoning chains using heuristics based on named entity recognition and coreference resolution. Nor do we rely on these annotations at test time, as our model learns to extract chains from raw text alone. We test our approach on two recently proposed large multi-hop question answering datasets: WikiHop and HotpotQA, and achieve state-of-art performance on WikiHop and strong performance on HotpotQA. Our analysis shows the properties of chains that are crucial for high performance: in particular, modeling extraction sequentially is important, as is dealing with each candidate sentence in a context-aware way. Furthermore, human evaluation shows that our extracted chains allow humans to give answers with high confidence, indicating that these are a strong intermediate abstraction for this task.

Denoising Diffusion Probabilistic Models (DDPMs) have garnered popularity for data generation across various domains. However, a significant bottleneck is the necessity for whole-network computation during every step of the generative process, leading to high computational overheads. This paper presents a novel framework, Denoising Diffusion Step-aware Models (DDSM), to address this challenge. Unlike conventional approaches, DDSM employs a spectrum of neural networks whose sizes are adapted according to the importance of each generative step, as determined through evolutionary search. This step-wise network variation effectively circumvents redundant computational efforts, particularly in less critical steps, thereby enhancing the efficiency of the diffusion model. Furthermore, the step-aware design can be seamlessly integrated with other efficiency-geared diffusion models such as DDIMs and latent diffusion, thus broadening the scope of computational savings. Empirical evaluations demonstrate that DDSM achieves computational savings of 49% for CIFAR-10, 61% for CelebA-HQ, 59% for LSUN-bedroom, 71% for AFHQ, and 76% for ImageNet, all without compromising the generation quality. Our code and models will be publicly available.

Structured output representation is a generative task explored in computer vision that often times requires the mapping of low dimensional features to high dimensional structured outputs. Losses in complex spatial information in deterministic approaches such as Convolutional Neural Networks (CNN) lead to uncertainties and ambiguous structures within a single output representation. A probabilistic approach through deep Conditional Generative Models (CGM) is presented by Sohn et al. in which a particular model known as the Conditional Variational Auto-encoder (CVAE) is introduced and explored. While the original paper focuses on the task of image segmentation, this paper adopts the CVAE framework for the task of controlled output representation through attributes. This approach allows us to learn a disentangled multimodal prior distribution, resulting in more controlled and robust approach to sample generation. In this work we recreate the CVAE architecture and train it on images conditioned on various attributes obtained from two image datasets; the Large-scale CelebFaces Attributes (CelebA) dataset and the Caltech-UCSD Birds (CUB-200-2011) dataset. We attempt to generate new faces with distinct attributes such as hair color and glasses, as well as different bird species samples with various attributes. We further introduce strategies for improving generalized sample generation by applying a weighted term to the variational lower bound.

Objective: We investigate whether deep learning techniques for natural language processing (NLP) can be used efficiently for patient phenotyping. Patient phenotyping is a classification task for determining whether a patient has a medical condition, and is a crucial part of secondary analysis of healthcare data. We assess the performance of deep learning algorithms and compare them with classical NLP approaches. Materials and Methods: We compare convolutional neural networks (CNNs), n-gram models, and approaches based on cTAKES that extract pre-defined medical concepts from clinical notes and use them to predict patient phenotypes. The performance is tested on 10 different phenotyping tasks using 1,610 discharge summaries extracted from the MIMIC-III database. Results: CNNs outperform other phenotyping algorithms in all 10 tasks. The average F1-score of our model is 76 (PPV of 83, and sensitivity of 71) with our model having an F1-score up to 37 points higher than alternative approaches. We additionally assess the interpretability of our model by presenting a method that extracts the most salient phrases for a particular prediction. Conclusion: We show that NLP methods based on deep learning improve the performance of patient phenotyping. Our CNN-based algorithm automatically learns the phrases associated with each patient phenotype. As such, it reduces the annotation complexity for clinical domain experts, who are normally required to develop task-specific annotation rules and identify relevant phrases. Our method performs well in terms of both performance and interpretability, which indicates that deep learning is an effective approach to patient phenotyping based on clinicians' notes.

Direct image-to-image alignment that relies on the optimization of photometric error metrics suffers from limited convergence range and sensitivity to lighting conditions. Deep learning approaches has been applied to address this problem by learning better feature representations using convolutional neural networks, yet still require a good initialization. In this paper, we demonstrate that the inaccurate numerical Jacobian limits the convergence range which could be improved greatly using learned approaches. Based on this observation, we propose a novel end-to-end network, RegNet, to learn the optimization of image-to-image pose registration. By jointly learning feature representation for each pixel and partial derivatives that replace handcrafted ones (e.g., numerical differentiation) in the optimization step, the neural network facilitates end-to-end optimization. The energy landscape is constrained on both the feature representation and the learned Jacobian, hence providing more flexibility for the optimization as a consequence leads to more robust and faster convergence. In a series of experiments, including a broad ablation study, we demonstrate that RegNet is able to converge for large-baseline image pairs with fewer iterations.

Despite significant popularity, Large-language Models (LLMs) require explicit, contextual facts to support domain-specific knowledge-intensive tasks in the design process. The applications built using LLMs should hence adopt Retrieval-Augmented Generation (RAG) to better suit the design process. In this article, we present a data-driven method to identify explicit facts from patent documents that provide standard descriptions of over 8 million artefacts. In our method, we train roBERTa Transformer-based sequence classification models using our dataset of 44,227 sentences and facts. Upon classifying tokens in a sentence as entities or relationships, our method uses another classifier to identify specific relationship tokens for a given pair of entities so that explicit facts of the form head entity :: relationship :: tail entity are identified. In the benchmark approaches for constructing facts, we use linear classifiers and Graph Neural Networks (GNNs) both incorporating BERT Transformer-based token embeddings to predict associations among the entities and relationships. We apply our method to 4,870 fan system related patents and populate a knowledge base of around 3 million facts. Upon retrieving the facts representing generalisable domain knowledge and the knowledge of specific subsystems and issues, we demonstrate how these facts contextualise LLMs for generating text that is more relevant to the design process.

From a single image, visual cues can help deduce intrinsic and extrinsic camera parameters like the focal length and the gravity direction. This single-image calibration can benefit various downstream applications like image editing and 3D mapping. Current approaches to this problem are based on either classical geometry with lines and vanishing points or on deep neural networks trained end-to-end. The learned approaches are more robust but struggle to generalize to new environments and are less accurate than their classical counterparts. We hypothesize that they lack the constraints that 3D geometry provides. In this work, we introduce GeoCalib, a deep neural network that leverages universal rules of 3D geometry through an optimization process. GeoCalib is trained end-to-end to estimate camera parameters and learns to find useful visual cues from the data. Experiments on various benchmarks show that GeoCalib is more robust and more accurate than existing classical and learned approaches. Its internal optimization estimates uncertainties, which help flag failure cases and benefit downstream applications like visual localization. The code and trained models are publicly available at https://github.com/cvg/GeoCalib.

During software development, developers need answers to queries about semantic aspects of code. Even though extractive question-answering using neural approaches has been studied widely in natural languages, the problem of answering semantic queries over code using neural networks has not yet been explored. This is mainly because there is no existing dataset with extractive question and answer pairs over code involving complex concepts and long chains of reasoning. We bridge this gap by building a new, curated dataset called CodeQueries, and proposing a neural question-answering methodology over code. We build upon state-of-the-art pre-trained models of code to predict answer and supporting-fact spans. Given a query and code, only some of the code may be relevant to answer the query. We first experiment under an ideal setting where only the relevant code is given to the model and show that our models do well. We then experiment under three pragmatic considerations: (1) scaling to large-size code, (2) learning from a limited number of examples and (3) robustness to minor syntax errors in code. Our results show that while a neural model can be resilient to minor syntax errors in code, increasing size of code, presence of code that is not relevant to the query, and reduced number of training examples limit the model performance. We are releasing our data and models to facilitate future work on the proposed problem of answering semantic queries over code.

Handwritten Text Recognition (HTR) in free-layout pages is a challenging image understanding task that can provide a relevant boost to the digitization of handwritten documents and reuse of their content. The task becomes even more challenging when dealing with historical documents due to the variability of the writing style and degradation of the page quality. State-of-the-art HTR approaches typically couple recurrent structures for sequence modeling with Convolutional Neural Networks for visual feature extraction. Since convolutional kernels are defined on fixed grids and focus on all input pixels independently while moving over the input image, this strategy disregards the fact that handwritten characters can vary in shape, scale, and orientation even within the same document and that the ink pixels are more relevant than the background ones. To cope with these specific HTR difficulties, we propose to adopt deformable convolutions, which can deform depending on the input at hand and better adapt to the geometric variations of the text. We design two deformable architectures and conduct extensive experiments on both modern and historical datasets. Experimental results confirm the suitability of deformable convolutions for the HTR task.

Humans interact with the environment using a combination of perception - transforming sensory inputs from their environment into symbols, and cognition - mapping symbols to knowledge about the environment for supporting abstraction, reasoning by analogy, and long-term planning. Human perception-inspired machine perception, in the context of AI, refers to large-scale pattern recognition from raw data using neural networks trained using self-supervised learning objectives such as next-word prediction or object recognition. On the other hand, machine cognition encompasses more complex computations, such as using knowledge of the environment to guide reasoning, analogy, and long-term planning. Humans can also control and explain their cognitive functions. This seems to require the retention of symbolic mappings from perception outputs to knowledge about their environment. For example, humans can follow and explain the guidelines and safety constraints driving their decision-making in safety-critical applications such as healthcare, criminal justice, and autonomous driving. This article introduces the rapidly emerging paradigm of Neurosymbolic AI combines neural networks and knowledge-guided symbolic approaches to create more capable and flexible AI systems. These systems have immense potential to advance both algorithm-level (e.g., abstraction, analogy, reasoning) and application-level (e.g., explainable and safety-constrained decision-making) capabilities of AI systems.

This paper explores three novel approaches to improve the performance of speaker verification (SV) systems based on deep neural networks (DNN) using Multi-head Self-Attention (MSA) mechanisms and memory layers. Firstly, we propose the use of a learnable vector called Class token to replace the average global pooling mechanism to extract the embeddings. Unlike global average pooling, our proposal takes into account the temporal structure of the input what is relevant for the text-dependent SV task. The class token is concatenated to the input before the first MSA layer, and its state at the output is used to predict the classes. To gain additional robustness, we introduce two approaches. First, we have developed a Bayesian estimation of the class token. Second, we have added a distilled representation token for training a teacher-student pair of networks using the Knowledge Distillation (KD) philosophy, which is combined with the class token. This distillation token is trained to mimic the predictions from the teacher network, while the class token replicates the true label. All the strategies have been tested on the RSR2015-Part II and DeepMine-Part 1 databases for text-dependent SV, providing competitive results compared to the same architecture using the average pooling mechanism to extract average embeddings.

Linking sheet music images to audio recordings remains a key problem for the development of efficient cross-modal music retrieval systems. One of the fundamental approaches toward this task is to learn a cross-modal embedding space via deep neural networks that is able to connect short snippets of audio and sheet music. However, the scarcity of annotated data from real musical content affects the capability of such methods to generalize to real retrieval scenarios. In this work, we investigate whether we can mitigate this limitation with self-supervised contrastive learning, by exposing a network to a large amount of real music data as a pre-training step, by contrasting randomly augmented views of snippets of both modalities, namely audio and sheet images. Through a number of experiments on synthetic and real piano data, we show that pre-trained models are able to retrieve snippets with better precision in all scenarios and pre-training configurations. Encouraged by these results, we employ the snippet embeddings in the higher-level task of cross-modal piece identification and conduct more experiments on several retrieval configurations. In this task, we observe that the retrieval quality improves from 30% up to 100% when real music data is present. We then conclude by arguing for the potential of self-supervised contrastive learning for alleviating the annotated data scarcity in multi-modal music retrieval models.

Music source separation (MSS) aims to separate a music recording into multiple musically distinct stems, such as vocals, bass, drums, and more. Recently, deep learning approaches such as convolutional neural networks (CNNs) and recurrent neural networks (RNNs) have been used, but the improvement is still limited. In this paper, we propose a novel frequency-domain approach based on a Band-Split RoPE Transformer (called BS-RoFormer). BS-RoFormer relies on a band-split module to project the input complex spectrogram into subband-level representations, and then arranges a stack of hierarchical Transformers to model the inner-band as well as inter-band sequences for multi-band mask estimation. To facilitate training the model for MSS, we propose to use the Rotary Position Embedding (RoPE). The BS-RoFormer system trained on MUSDB18HQ and 500 extra songs ranked the first place in the MSS track of Sound Demixing Challenge (SDX23). Benchmarking a smaller version of BS-RoFormer on MUSDB18HQ, we achieve state-of-the-art result without extra training data, with 9.80 dB of average SDR.

Optimal transport (OT) theory focuses, among all maps T:R^drightarrow R^d that can morph a probability measure onto another, on those that are the ``thriftiest'', i.e. such that the averaged cost c(x, T(x)) between x and its image T(x) be as small as possible. Many computational approaches have been proposed to estimate such Monge maps when c is the ell_2^2 distance, e.g., using entropic maps [Pooladian'22], or neural networks [Makkuva'20, Korotin'20]. We propose a new model for transport maps, built on a family of translation invariant costs c(x, y):=h(x-y), where h:=1{2}|cdot|_2^2+tau and tau is a regularizer. We propose a generalization of the entropic map suitable for h, and highlight a surprising link tying it with the Bregman centroids of the divergence D_h generated by h, and the proximal operator of tau. We show that choosing a sparsity-inducing norm for tau results in maps that apply Occam's razor to transport, in the sense that the displacement vectors Delta(x):= T(x)-x they induce are sparse, with a sparsity pattern that varies depending on x. We showcase the ability of our method to estimate meaningful OT maps for high-dimensional single-cell transcription data, in the 34000-d space of gene counts for cells, without using dimensionality reduction, thus retaining the ability to interpret all displacements at the gene level.

This paper investigates robot manipulation based on human instruction with ambiguous requests. The intent is to compensate for imperfect natural language via visual observations. Early symbolic methods, based on manually defined symbols, built modular framework consist of semantic parsing and task planning for producing sequences of actions from natural language requests. Modern connectionist methods employ deep neural networks to automatically learn visual and linguistic features and map to a sequence of low-level actions, in an endto-end fashion. These two approaches are blended to create a hybrid, modular framework: it formulates instruction following as symbolic goal learning via deep neural networks followed by task planning via symbolic planners. Connectionist and symbolic modules are bridged with Planning Domain Definition Language. The vision-and-language learning network predicts its goal representation, which is sent to a planner for producing a task-completing action sequence. For improving the flexibility of natural language, we further incorporate implicit human intents with explicit human instructions. To learn generic features for vision and language, we propose to separately pretrain vision and language encoders on scene graph parsing and semantic textual similarity tasks. Benchmarking evaluates the impacts of different components of, or options for, the vision-and-language learning model and shows the effectiveness of pretraining strategies. Manipulation experiments conducted in the simulator AI2THOR show the robustness of the framework to novel scenarios.

Reinforcement learning (RL) has gained increasing interest since the demonstration it was able to reach human performance on video game benchmarks using deep Q-learning (DQN). The current consensus for training neural networks on such complex environments is to rely on gradient-based optimization. Although alternative Bayesian deep learning methods exist, most of them still rely on gradient-based optimization, and they typically do not scale on benchmarks such as the Atari game environment. Moreover none of these approaches allow performing the analytical inference for the weights and biases defining the neural network. In this paper, we present how we can adapt the temporal difference Q-learning framework to make it compatible with the tractable approximate Gaussian inference (TAGI), which allows learning the parameters of a neural network using a closed-form analytical method. Throughout the experiments with on- and off-policy reinforcement learning approaches, we demonstrate that TAGI can reach a performance comparable to backpropagation-trained networks while using fewer hyperparameters, and without relying on gradient-based optimization.

With the goal of recovering high-quality image content from its degraded version, image restoration enjoys numerous applications, such as in surveillance, computational photography, medical imaging, and remote sensing. Recently, convolutional neural networks (CNNs) have achieved dramatic improvements over conventional approaches for image restoration task. Existing CNN-based methods typically operate either on full-resolution or on progressively low-resolution representations. In the former case, spatially precise but contextually less robust results are achieved, while in the latter case, semantically reliable but spatially less accurate outputs are generated. In this paper, we present a novel architecture with the collective goals of maintaining spatially-precise high-resolution representations through the entire network and receiving strong contextual information from the low-resolution representations. The core of our approach is a multi-scale residual block containing several key elements: (a) parallel multi-resolution convolution streams for extracting multi-scale features, (b) information exchange across the multi-resolution streams, (c) spatial and channel attention mechanisms for capturing contextual information, and (d) attention based multi-scale feature aggregation. In a nutshell, our approach learns an enriched set of features that combines contextual information from multiple scales, while simultaneously preserving the high-resolution spatial details. Extensive experiments on five real image benchmark datasets demonstrate that our method, named as MIRNet, achieves state-of-the-art results for a variety of image processing tasks, including image denoising, super-resolution, and image enhancement. The source code and pre-trained models are available at https://github.com/swz30/MIRNet.

Predicting the next activity of a running process is an important aspect of process management. Recently, artificial neural networks, so called deep-learning approaches, have been proposed to address this challenge. This demo paper describes a software application that applies the Tensorflow deep-learning framework to process prediction. The software application reads industry-standard XES files for training and presents the user with an easy-to-use graphical user interface for both training and prediction. The system provides several improvements over earlier work. This demo paper focuses on the software implementation and describes the architecture and user interface.

Adaptive optimization methods are widely recognized as among the most popular approaches for training Deep Neural Networks (DNNs). Techniques such as Adam, AdaGrad, and AdaHessian utilize a preconditioner that modifies the search direction by incorporating information about the curvature of the objective function. However, despite their adaptive characteristics, these methods still require manual fine-tuning of the step-size. This, in turn, impacts the time required to solve a particular problem. This paper presents an optimization framework named SANIA to tackle these challenges. Beyond eliminating the need for manual step-size hyperparameter settings, SANIA incorporates techniques to address poorly scaled or ill-conditioned problems. We also explore several preconditioning methods, including Hutchinson's method, which approximates the Hessian diagonal of the loss function. We conclude with an extensive empirical examination of the proposed techniques across classification tasks, covering both convex and non-convex contexts.

Efficiently capturing the long-range patterns in sequential data sources salient to a given task -- such as classification and generative modeling -- poses a fundamental challenge. Popular approaches in the space tradeoff between the memory burden of brute-force enumeration and comparison, as in transformers, the computational burden of complicated sequential dependencies, as in recurrent neural networks, or the parameter burden of convolutional networks with many or large filters. We instead take inspiration from wavelet-based multiresolution analysis to define a new building block for sequence modeling, which we call a MultiresLayer. The key component of our model is the multiresolution convolution, capturing multiscale trends in the input sequence. Our MultiresConv can be implemented with shared filters across a dilated causal convolution tree. Thus it garners the computational advantages of convolutional networks and the principled theoretical motivation of wavelet decompositions. Our MultiresLayer is straightforward to implement, requires significantly fewer parameters, and maintains at most a O(Nlog N) memory footprint for a length N sequence. Yet, by stacking such layers, our model yields state-of-the-art performance on a number of sequence classification and autoregressive density estimation tasks using CIFAR-10, ListOps, and PTB-XL datasets.

Digital cameras transform sensor RAW readings into RGB images by means of their Image Signal Processor (ISP). Computational photography tasks such as image denoising and colour constancy are commonly performed in the RAW domain, in part due to the inherent hardware design, but also due to the appealing simplicity of noise statistics that result from the direct sensor readings. Despite this, the availability of RAW images is limited in comparison with the abundance and diversity of available RGB data. Recent approaches have attempted to bridge this gap by estimating the RGB to RAW mapping: handcrafted model-based methods that are interpretable and controllable usually require manual parameter fine-tuning, while end-to-end learnable neural networks require large amounts of training data, at times with complex training procedures, and generally lack interpretability and parametric control. Towards addressing these existing limitations, we present a novel hybrid model-based and data-driven ISP that builds on canonical ISP operations and is both learnable and interpretable. Our proposed invertible model, capable of bidirectional mapping between RAW and RGB domains, employs end-to-end learning of rich parameter representations, i.e. dictionaries, that are free from direct parametric supervision and additionally enable simple and plausible data augmentation. We evidence the value of our data generation process by extensive experiments under both RAW image reconstruction and RAW image denoising tasks, obtaining state-of-the-art performance in both. Additionally, we show that our ISP can learn meaningful mappings from few data samples, and that denoising models trained with our dictionary-based data augmentation are competitive despite having only few or zero ground-truth labels.

Our goal is to collect a large-scale audio-visual dataset with low label noise from videos in the wild using computer vision techniques. The resulting dataset can be used for training and evaluating audio recognition models. We make three contributions. First, we propose a scalable pipeline based on computer vision techniques to create an audio dataset from open-source media. Our pipeline involves obtaining videos from YouTube; using image classification algorithms to localize audio-visual correspondence; and filtering out ambient noise using audio verification. Second, we use this pipeline to curate the VGGSound dataset consisting of more than 210k videos for 310 audio classes. Third, we investigate various Convolutional Neural Network~(CNN) architectures and aggregation approaches to establish audio recognition baselines for our new dataset. Compared to existing audio datasets, VGGSound ensures audio-visual correspondence and is collected under unconstrained conditions. Code and the dataset are available at http://www.robots.ox.ac.uk/~vgg/data/vggsound/

Better understanding and modelling of building interiors and the emergence of more impressive AR/VR technology has brought up the need for automatic parsing of floorplan images. However, there is a clear lack of representative datasets to investigate the problem further. To address this shortcoming, this paper presents a novel image dataset called CubiCasa5K, a large-scale floorplan image dataset containing 5000 samples annotated into over 80 floorplan object categories. The dataset annotations are performed in a dense and versatile manner by using polygons for separating the different objects. Diverging from the classical approaches based on strong heuristics and low-level pixel operations, we present a method relying on an improved multi-task convolutional neural network. By releasing the novel dataset and our implementations, this study significantly boosts the research on automatic floorplan image analysis as it provides a richer set of tools for investigating the problem in a more comprehensive manner.

Ranking models lie at the heart of research on information retrieval (IR). During the past decades, different techniques have been proposed for constructing ranking models, from traditional heuristic methods, probabilistic methods, to modern machine learning methods. Recently, with the advance of deep learning technology, we have witnessed a growing body of work in applying shallow or deep neural networks to the ranking problem in IR, referred to as neural ranking models in this paper. The power of neural ranking models lies in the ability to learn from the raw text inputs for the ranking problem to avoid many limitations of hand-crafted features. Neural networks have sufficient capacity to model complicated tasks, which is needed to handle the complexity of relevance estimation in ranking. Since there have been a large variety of neural ranking models proposed, we believe it is the right time to summarize the current status, learn from existing methodologies, and gain some insights for future development. In contrast to existing reviews, in this survey, we will take a deep look into the neural ranking models from different dimensions to analyze their underlying assumptions, major design principles, and learning strategies. We compare these models through benchmark tasks to obtain a comprehensive empirical understanding of the existing techniques. We will also discuss what is missing in the current literature and what are the promising and desired future directions.

Recent years have seen considerable progress in the continual training of deep neural networks, predominantly thanks to approaches that add replay or regularization terms to the loss function to approximate the joint loss over all tasks so far. However, we show that even with a perfect approximation to the joint loss, these approaches still suffer from temporary but substantial forgetting when starting to train on a new task. Motivated by this 'stability gap', we propose that continual learning strategies should focus not only on the optimization objective, but also on the way this objective is optimized. While there is some continual learning work that alters the optimization trajectory (e.g., using gradient projection techniques), this line of research is positioned as alternative to improving the optimization objective, while we argue it should be complementary. To evaluate the merits of our proposition, we plan to combine replay-approximated joint objectives with gradient projection-based optimization routines to test whether the addition of the latter provides benefits in terms of (1) alleviating the stability gap, (2) increasing the learning efficiency and (3) improving the final learning outcome.

As Artificial Intelligence (AI) has developed rapidly over the past few decades, the new generation of AI, Large Language Models (LLMs) trained on massive datasets, has achieved ground-breaking performance in many applications. Further progress has been made in multimodal LLMs, with many datasets created to evaluate LLMs with vision abilities. However, none of those datasets focuses solely on marine mammals, which are indispensable for ecological equilibrium. In this work, we build a benchmark dataset with 1,423 images of 65 kinds of marine mammals, where each animal is uniquely classified into different levels of class, ranging from species-level to medium-level to group-level. Moreover, we evaluate several approaches for classifying these marine mammals: (1) machine learning (ML) algorithms using embeddings provided by neural networks, (2) influential pre-trained neural networks, (3) zero-shot models: CLIP and LLMs, and (4) a novel LLM-based multi-agent system (MAS). The results demonstrate the strengths of traditional models and LLMs in different aspects, and the MAS can further improve the classification performance. The dataset is available on GitHub: https://github.com/yeyimilk/LLM-Vision-Marine-Animals.git.

Spatiotemporal predictive learning methods generally fall into two categories: recurrent-based approaches, which face challenges in parallelization and performance, and recurrent-free methods, which employ convolutional neural networks (CNNs) as encoder-decoder architectures. These methods benefit from strong inductive biases but often at the expense of scalability and generalization. This paper proposes PredFormer, a pure transformer-based framework for spatiotemporal predictive learning. Motivated by the Vision Transformers (ViT) design, PredFormer leverages carefully designed Gated Transformer blocks, following a comprehensive analysis of 3D attention mechanisms, including full-, factorized-, and interleaved-spatial-temporal attention. With its recurrent-free, transformer-based design, PredFormer is both simple and efficient, significantly outperforming previous methods by large margins. Extensive experiments on synthetic and real-world datasets demonstrate that PredFormer achieves state-of-the-art performance. On Moving MNIST, PredFormer achieves a 51.3% reduction in MSE relative to SimVP. For TaxiBJ, the model decreases MSE by 33.1% and boosts FPS from 533 to 2364. Additionally, on WeatherBench, it reduces MSE by 11.1% while enhancing FPS from 196 to 404. These performance gains in both accuracy and efficiency demonstrate PredFormer's potential for real-world applications. The source code will be released at https://github.com/yyyujintang/PredFormer .

In recent years, concept-based approaches have emerged as some of the most promising explainability methods to help us interpret the decisions of Artificial Neural Networks (ANNs). These methods seek to discover intelligible visual 'concepts' buried within the complex patterns of ANN activations in two key steps: (1) concept extraction followed by (2) importance estimation. While these two steps are shared across methods, they all differ in their specific implementations. Here, we introduce a unifying theoretical framework that comprehensively defines and clarifies these two steps. This framework offers several advantages as it allows us: (i) to propose new evaluation metrics for comparing different concept extraction approaches; (ii) to leverage modern attribution methods and evaluation metrics to extend and systematically evaluate state-of-the-art concept-based approaches and importance estimation techniques; (iii) to derive theoretical guarantees regarding the optimality of such methods. We further leverage our framework to try to tackle a crucial question in explainability: how to efficiently identify clusters of data points that are classified based on a similar shared strategy. To illustrate these findings and to highlight the main strategies of a model, we introduce a visual representation called the strategic cluster graph. Finally, we present https://serre-lab.github.io/Lens, a dedicated website that offers a complete compilation of these visualizations for all classes of the ImageNet dataset.

Despite their massive size, successful deep artificial neural networks can exhibit a remarkably small difference between training and test performance. Conventional wisdom attributes small generalization error either to properties of the model family, or to the regularization techniques used during training. Through extensive systematic experiments, we show how these traditional approaches fail to explain why large neural networks generalize well in practice. Specifically, our experiments establish that state-of-the-art convolutional networks for image classification trained with stochastic gradient methods easily fit a random labeling of the training data. This phenomenon is qualitatively unaffected by explicit regularization, and occurs even if we replace the true images by completely unstructured random noise. We corroborate these experimental findings with a theoretical construction showing that simple depth two neural networks already have perfect finite sample expressivity as soon as the number of parameters exceeds the number of data points as it usually does in practice. We interpret our experimental findings by comparison with traditional models.

Since the control of the Lipschitz constant has a great impact on the training stability, generalization, and robustness of neural networks, the estimation of this value is nowadays a real scientific challenge. In this paper we introduce a precise, fast, and differentiable upper bound for the spectral norm of convolutional layers using circulant matrix theory and a new alternative to the Power iteration. Called the Gram iteration, our approach exhibits a superlinear convergence. First, we show through a comprehensive set of experiments that our approach outperforms other state-of-the-art methods in terms of precision, computational cost, and scalability. Then, it proves highly effective for the Lipschitz regularization of convolutional neural networks, with competitive results against concurrent approaches. Code is available at https://github.com/blaisedelattre/lip4conv.

The objective for establishing dense correspondence between paired images consists of two terms: a data term and a prior term. While conventional techniques focused on defining hand-designed prior terms, which are difficult to formulate, recent approaches have focused on learning the data term with deep neural networks without explicitly modeling the prior, assuming that the model itself has the capacity to learn an optimal prior from a large-scale dataset. The performance improvement was obvious, however, they often fail to address inherent ambiguities of matching, such as textureless regions, repetitive patterns, and large displacements. To address this, we propose DiffMatch, a novel conditional diffusion-based framework designed to explicitly model both the data and prior terms. Unlike previous approaches, this is accomplished by leveraging a conditional denoising diffusion model. DiffMatch consists of two main components: conditional denoising diffusion module and cost injection module. We stabilize the training process and reduce memory usage with a stage-wise training strategy. Furthermore, to boost performance, we introduce an inference technique that finds a better path to the accurate matching field. Our experimental results demonstrate significant performance improvements of our method over existing approaches, and the ablation studies validate our design choices along with the effectiveness of each component. Project page is available at https://ku-cvlab.github.io/DiffMatch/.

This paper deals with the problem of audio source separation. To handle the complex and ill-posed nature of the problems of audio source separation, the current state-of-the-art approaches employ deep neural networks to obtain instrumental spectra from a mixture. In this study, we propose a novel network architecture that extends the recently developed densely connected convolutional network (DenseNet), which has shown excellent results on image classification tasks. To deal with the specific problem of audio source separation, an up-sampling layer, block skip connection and band-dedicated dense blocks are incorporated on top of DenseNet. The proposed approach takes advantage of long contextual information and outperforms state-of-the-art results on SiSEC 2016 competition by a large margin in terms of signal-to-distortion ratio. Moreover, the proposed architecture requires significantly fewer parameters and considerably less training time compared with other methods.

When learning simulations for modeling physical phenomena in industrial designs, geometrical variabilities are of prime interest. While classical regression techniques prove effective for parameterized geometries, practical scenarios often involve the absence of shape parametrization during the inference stage, leaving us with only mesh discretizations as available data. Learning simulations from such mesh-based representations poses significant challenges, with recent advances relying heavily on deep graph neural networks to overcome the limitations of conventional machine learning approaches. Despite their promising results, graph neural networks exhibit certain drawbacks, including their dependency on extensive datasets and limitations in providing built-in predictive uncertainties or handling large meshes. In this work, we propose a machine learning method that do not rely on graph neural networks. Complex geometrical shapes and variations with fixed topology are dealt with using well-known mesh morphing onto a common support, combined with classical dimensionality reduction techniques and Gaussian processes. The proposed methodology can easily deal with large meshes without the need for explicit shape parameterization and provides crucial predictive uncertainties, which are essential for informed decision-making. In the considered numerical experiments, the proposed method is competitive with respect to existing graph neural networks, regarding training efficiency and accuracy of the predictions.

Although research on emotion classification has significantly progressed in high-resource languages, it is still infancy for resource-constrained languages like Bengali. However, unavailability of necessary language processing tools and deficiency of benchmark corpora makes the emotion classification task in Bengali more challenging and complicated. This work proposes a transformer-based technique to classify the Bengali text into one of the six basic emotions: anger, fear, disgust, sadness, joy, and surprise. A Bengali emotion corpus consists of 6243 texts is developed for the classification task. Experimentation carried out using various machine learning (LR, RF, MNB, SVM), deep neural networks (CNN, BiLSTM, CNN+BiLSTM) and transformer (Bangla-BERT, m-BERT, XLM-R) based approaches. Experimental outcomes indicate that XLM-R outdoes all other techniques by achieving the highest weighted f_1-score of 69.73% on the test data. The dataset is publicly available at https://github.com/omar-sharif03/NAACL-SRW-2021.

The increasing concern with misinformation has stimulated research efforts on automatic fact checking. The recently-released FEVER dataset introduced a benchmark fact-verification task in which a system is asked to verify a claim using evidential sentences from Wikipedia documents. In this paper, we present a connected system consisting of three homogeneous neural semantic matching models that conduct document retrieval, sentence selection, and claim verification jointly for fact extraction and verification. For evidence retrieval (document retrieval and sentence selection), unlike traditional vector space IR models in which queries and sources are matched in some pre-designed term vector space, we develop neural models to perform deep semantic matching from raw textual input, assuming no intermediate term representation and no access to structured external knowledge bases. We also show that Pageview frequency can also help improve the performance of evidence retrieval results, that later can be matched by using our neural semantic matching network. For claim verification, unlike previous approaches that simply feed upstream retrieved evidence and the claim to a natural language inference (NLI) model, we further enhance the NLI model by providing it with internal semantic relatedness scores (hence integrating it with the evidence retrieval modules) and ontological WordNet features. Experiments on the FEVER dataset indicate that (1) our neural semantic matching method outperforms popular TF-IDF and encoder models, by significant margins on all evidence retrieval metrics, (2) the additional relatedness score and WordNet features improve the NLI model via better semantic awareness, and (3) by formalizing all three subtasks as a similar semantic matching problem and improving on all three stages, the complete model is able to achieve the state-of-the-art results on the FEVER test set.

In the past decade, advances in deep learning have resulted in breakthroughs in a variety of areas, including computer vision, natural language understanding, speech recognition, and reinforcement learning. Specialized, high-performing neural architectures are crucial to the success of deep learning in these areas. Neural architecture search (NAS), the process of automating the design of neural architectures for a given task, is an inevitable next step in automating machine learning and has already outpaced the best human-designed architectures on many tasks. In the past few years, research in NAS has been progressing rapidly, with over 1000 papers released since 2020 (Deng and Lindauer, 2021). In this survey, we provide an organized and comprehensive guide to neural architecture search. We give a taxonomy of search spaces, algorithms, and speedup techniques, and we discuss resources such as benchmarks, best practices, other surveys, and open-source libraries.

Attention Model has now become an important concept in neural networks that has been researched within diverse application domains. This survey provides a structured and comprehensive overview of the developments in modeling attention. In particular, we propose a taxonomy which groups existing techniques into coherent categories. We review salient neural architectures in which attention has been incorporated, and discuss applications in which modeling attention has shown a significant impact. We also describe how attention has been used to improve the interpretability of neural networks. Finally, we discuss some future research directions in attention. We hope this survey will provide a succinct introduction to attention models and guide practitioners while developing approaches for their applications.

Neural Module Networks, originally proposed for the task of visual question answering, are a class of neural network architectures that involve human-specified neural modules, each designed for a specific form of reasoning. In current formulations of such networks only the parameters of the neural modules and/or the order of their execution is learned. In this work, we further expand this approach and also learn the underlying internal structure of modules in terms of the ordering and combination of simple and elementary arithmetic operators. Our results show that one is indeed able to simultaneously learn both internal module structure and module sequencing without extra supervisory signals for module execution sequencing. With this approach, we report performance comparable to models using hand-designed modules.

We describe a new class of learning models called memory networks. Memory networks reason with inference components combined with a long-term memory component; they learn how to use these jointly. The long-term memory can be read and written to, with the goal of using it for prediction. We investigate these models in the context of question answering (QA) where the long-term memory effectively acts as a (dynamic) knowledge base, and the output is a textual response. We evaluate them on a large-scale QA task, and a smaller, but more complex, toy task generated from a simulated world. In the latter, we show the reasoning power of such models by chaining multiple supporting sentences to answer questions that require understanding the intension of verbs.

We introduce a neural network with a recurrent attention model over a possibly large external memory. The architecture is a form of Memory Network (Weston et al., 2015) but unlike the model in that work, it is trained end-to-end, and hence requires significantly less supervision during training, making it more generally applicable in realistic settings. It can also be seen as an extension of RNNsearch to the case where multiple computational steps (hops) are performed per output symbol. The flexibility of the model allows us to apply it to tasks as diverse as (synthetic) question answering and to language modeling. For the former our approach is competitive with Memory Networks, but with less supervision. For the latter, on the Penn TreeBank and Text8 datasets our approach demonstrates comparable performance to RNNs and LSTMs. In both cases we show that the key concept of multiple computational hops yields improved results.

Neural networks have a reputation for being better at solving statistical or approximate problems than at performing calculations or working with symbolic data. In this paper, we show that they can be surprisingly good at more elaborated tasks in mathematics, such as symbolic integration and solving differential equations. We propose a syntax for representing mathematical problems, and methods for generating large datasets that can be used to train sequence-to-sequence models. We achieve results that outperform commercial Computer Algebra Systems such as Matlab or Mathematica.

This paper presents a computationally efficient machine-learned method for natural language response suggestion. Feed-forward neural networks using n-gram embedding features encode messages into vectors which are optimized to give message-response pairs a high dot-product value. An optimized search finds response suggestions. The method is evaluated in a large-scale commercial e-mail application, Inbox by Gmail. Compared to a sequence-to-sequence approach, the new system achieves the same quality at a small fraction of the computational requirements and latency.

There has been great success recently in tackling challenging NLP tasks by neural networks which have been pre-trained and fine-tuned on large amounts of task data. In this paper, we investigate one such model, BERT for question-answering, with the aim to analyze why it is able to achieve significantly better results than other models. We run DeepLIFT on the model predictions and test the outcomes to monitor shift in the attention values for input. We also cluster the results to analyze any possible patterns similar to human reasoning depending on the kind of input paragraph and question the model is trying to answer.