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Mar 11

EigenTrajectory: Low-Rank Descriptors for Multi-Modal Trajectory Forecasting

Capturing high-dimensional social interactions and feasible futures is essential for predicting trajectories. To address this complex nature, several attempts have been devoted to reducing the dimensionality of the output variables via parametric curve fitting such as the B\'ezier curve and B-spline function. However, these functions, which originate in computer graphics fields, are not suitable to account for socially acceptable human dynamics. In this paper, we present EigenTrajectory (ET), a trajectory prediction approach that uses a novel trajectory descriptor to form a compact space, known here as ET space, in place of Euclidean space, for representing pedestrian movements. We first reduce the complexity of the trajectory descriptor via a low-rank approximation. We transform the pedestrians' history paths into our ET space represented by spatio-temporal principle components, and feed them into off-the-shelf trajectory forecasting models. The inputs and outputs of the models as well as social interactions are all gathered and aggregated in the corresponding ET space. Lastly, we propose a trajectory anchor-based refinement method to cover all possible futures in the proposed ET space. Extensive experiments demonstrate that our EigenTrajectory predictor can significantly improve both the prediction accuracy and reliability of existing trajectory forecasting models on public benchmarks, indicating that the proposed descriptor is suited to represent pedestrian behaviors. Code is publicly available at https://github.com/inhwanbae/EigenTrajectory .

Convolutional Neural Networks and Volcano Plots: Screening and Prediction of Two-Dimensional Single-Atom Catalysts

Single-atom catalysts (SACs) have emerged as frontiers for catalyzing chemical reactions, yet the diverse combinations of active elements and support materials, the nature of coordination environments, elude traditional methodologies in searching optimal SAC systems with superior catalytic performance. Herein, by integrating multi-branch Convolutional Neural Network (CNN) analysis models to hybrid descriptor based activity volcano plot, 2D SAC system composed of diverse metallic single atoms anchored on six type of 2D supports, including graphitic carbon nitride, nitrogen-doped graphene, graphene with dual-vacancy, black phosphorous, boron nitride, and C2N, are screened for efficient CO2RR. Starting from establishing a correlation map between the adsorption energies of intermediates and diverse electronic and elementary descriptors, sole singular descriptor lost magic to predict catalytic activity. Deep learning method utilizing multi-branch CNN model therefore was employed, using 2D electronic density of states as input to predict adsorption energies. Hybrid-descriptor enveloping both C- and O-types of CO2RR intermediates was introduced to construct volcano plots and limiting potential periodic table, aiming for intuitive screening of catalyst candidates for efficient CO2 reduction to CH4. The eDOS occlusion experiments were performed to unravel individual orbital contribution to adsorption energy. To explore the electronic scale principle governing practical engineering catalytic CO2RR activity, orbitalwise eDOS shifting experiments based on CNN model were employed. The study involves examining the adsorption energy and, consequently, catalytic activities while varying supported single atoms. This work offers a tangible framework to inform both theoretical screening and experimental synthesis, thereby paving the way for systematically designing efficient SACs.

One-shot recognition of any material anywhere using contrastive learning with physics-based rendering

Visual recognition of materials and their states is essential for understanding most aspects of the world, from determining whether food is cooked, metal is rusted, or a chemical reaction has occurred. However, current image recognition methods are limited to specific classes and properties and can't handle the vast number of material states in the world. To address this, we present MatSim: the first dataset and benchmark for computer vision-based recognition of similarities and transitions between materials and textures, focusing on identifying any material under any conditions using one or a few examples. The dataset contains synthetic and natural images. The synthetic images were rendered using giant collections of textures, objects, and environments generated by computer graphics artists. We use mixtures and gradual transitions between materials to allow the system to learn cases with smooth transitions between states (like gradually cooked food). We also render images with materials inside transparent containers to support beverage and chemistry lab use cases. We use this dataset to train a siamese net that identifies the same material in different objects, mixtures, and environments. The descriptor generated by this net can be used to identify the states of materials and their subclasses using a single image. We also present the first few-shot material recognition benchmark with images from a wide range of fields, including the state of foods and drinks, types of grounds, and many other use cases. We show that a net trained on the MatSim synthetic dataset outperforms state-of-the-art models like Clip on the benchmark and also achieves good results on other unsupervised material classification tasks.

Utilizing Wavelet Transform in the Analysis of Scaling Dynamics for Milk Quality Evaluation

Food safety and quality are paramount concerns worldwide, especially concerning nutritional quality and its impact on human health. Ensuring the accuracy and efficiency of milk quality assessment is vital for maintaining the quality of dairy farm produce. Milk spectral data, Mid-infrared spectra (MIRS) of milk samples, are frequently employed for milk quality evaluations, encompassing various milk quality parameters. However, conventional milk quality analyses have overlooked the scaling nature, known as stochastic similarity in different scales, inherent in milk spectral data. Wavelet transforms are among the tools used in these analyses, although they are primarily used as data pre-processing techniques without fully realizing their potential in extracting valuable insights. The primary purpose of this study is to demonstrate the importance of accounting for scaling properties in assessing milk quality. A set of 12 descriptors is computed to characterize scaling properties in milk spectral data within the wavelet domain. These descriptors are then assessed for their effectiveness in milk quality assessments utilizing 18 different milk quality parameters. They notably demonstrated comparable performance to existing methods while utilizing fewer features when applied to an MIRS dataset. This innovative approach holds substantial promise for advancing the field of milk quality assessment, offering a means to achieve more accurate and efficient evaluations while shedding light on previously unexplored aspects of milk spectral data.

FoundPose: Unseen Object Pose Estimation with Foundation Features

We propose FoundPose, a model-based method for 6D pose estimation of unseen objects from a single RGB image. The method can quickly onboard new objects using their 3D models without requiring any object- or task-specific training. In contrast, existing methods typically pre-train on large-scale, task-specific datasets in order to generalize to new objects and to bridge the image-to-model domain gap. We demonstrate that such generalization capabilities can be observed in a recent vision foundation model trained in a self-supervised manner. Specifically, our method estimates the object pose from image-to-model 2D-3D correspondences, which are established by matching patch descriptors from the recent DINOv2 model between the image and pre-rendered object templates. We find that reliable correspondences can be established by kNN matching of patch descriptors from an intermediate DINOv2 layer. Such descriptors carry stronger positional information than descriptors from the last layer, and we show their importance when semantic information is ambiguous due to object symmetries or a lack of texture. To avoid establishing correspondences against all object templates, we develop an efficient template retrieval approach that integrates the patch descriptors into the bag-of-words representation and can promptly propose a handful of similarly looking templates. Additionally, we apply featuremetric alignment to compensate for discrepancies in the 2D-3D correspondences caused by coarse patch sampling. The resulting method noticeably outperforms existing RGB methods for refinement-free pose estimation on the standard BOP benchmark with seven diverse datasets and can be seamlessly combined with an existing render-and-compare refinement method to achieve RGB-only state-of-the-art results. Project page: evinpinar.github.io/foundpose.

Scene as Occupancy

Human driver can easily describe the complex traffic scene by visual system. Such an ability of precise perception is essential for driver's planning. To achieve this, a geometry-aware representation that quantizes the physical 3D scene into structured grid map with semantic labels per cell, termed as 3D Occupancy, would be desirable. Compared to the form of bounding box, a key insight behind occupancy is that it could capture the fine-grained details of critical obstacles in the scene, and thereby facilitate subsequent tasks. Prior or concurrent literature mainly concentrate on a single scene completion task, where we might argue that the potential of this occupancy representation might obsess broader impact. In this paper, we propose OccNet, a multi-view vision-centric pipeline with a cascade and temporal voxel decoder to reconstruct 3D occupancy. At the core of OccNet is a general occupancy embedding to represent 3D physical world. Such a descriptor could be applied towards a wide span of driving tasks, including detection, segmentation and planning. To validate the effectiveness of this new representation and our proposed algorithm, we propose OpenOcc, the first dense high-quality 3D occupancy benchmark built on top of nuScenes. Empirical experiments show that there are evident performance gain across multiple tasks, e.g., motion planning could witness a collision rate reduction by 15%-58%, demonstrating the superiority of our method.

Follow Anything: Open-set detection, tracking, and following in real-time

Tracking and following objects of interest is critical to several robotics use cases, ranging from industrial automation to logistics and warehousing, to healthcare and security. In this paper, we present a robotic system to detect, track, and follow any object in real-time. Our approach, dubbed ``follow anything'' (FAn), is an open-vocabulary and multimodal model -- it is not restricted to concepts seen at training time and can be applied to novel classes at inference time using text, images, or click queries. Leveraging rich visual descriptors from large-scale pre-trained models (foundation models), FAn can detect and segment objects by matching multimodal queries (text, images, clicks) against an input image sequence. These detected and segmented objects are tracked across image frames, all while accounting for occlusion and object re-emergence. We demonstrate FAn on a real-world robotic system (a micro aerial vehicle) and report its ability to seamlessly follow the objects of interest in a real-time control loop. FAn can be deployed on a laptop with a lightweight (6-8 GB) graphics card, achieving a throughput of 6-20 frames per second. To enable rapid adoption, deployment, and extensibility, we open-source all our code on our project webpage at https://github.com/alaamaalouf/FollowAnything . We also encourage the reader the watch our 5-minutes explainer video in this https://www.youtube.com/watch?v=6Mgt3EPytrw .

FreeZe: Training-free zero-shot 6D pose estimation with geometric and vision foundation models

Estimating the 6D pose of objects unseen during training is highly desirable yet challenging. Zero-shot object 6D pose estimation methods address this challenge by leveraging additional task-specific supervision provided by large-scale, photo-realistic synthetic datasets. However, their performance heavily depends on the quality and diversity of rendered data and they require extensive training. In this work, we show how to tackle the same task but without training on specific data. We propose FreeZe, a novel solution that harnesses the capabilities of pre-trained geometric and vision foundation models. FreeZe leverages 3D geometric descriptors learned from unrelated 3D point clouds and 2D visual features learned from web-scale 2D images to generate discriminative 3D point-level descriptors. We then estimate the 6D pose of unseen objects by 3D registration based on RANSAC. We also introduce a novel algorithm to solve ambiguous cases due to geometrically symmetric objects that is based on visual features. We comprehensively evaluate FreeZe across the seven core datasets of the BOP Benchmark, which include over a hundred 3D objects and 20,000 images captured in various scenarios. FreeZe consistently outperforms all state-of-the-art approaches, including competitors extensively trained on synthetic 6D pose estimation data. Code will be publicly available at https://andreacaraffa.github.io/freeze.

Crossing the Linguistic Causeway: A Binational Approach for Translating Soundscape Attributes to Bahasa Melayu

Translation of perceptual descriptors such as the perceived affective quality attributes in the soundscape standard (ISO/TS 12913-2:2018) is an inherently intricate task, especially if the target language is used in multiple countries. Despite geographical proximity and a shared language of Bahasa Melayu (Standard Malay), differences in culture and language education policies between Singapore and Malaysia could invoke peculiarities in the affective appraisal of sounds. To generate provisional translations of the eight perceived affective attributes -- eventful, vibrant, pleasant, calm, uneventful, monotonous, annoying, and chaotic -- into Bahasa Melayu that is applicable in both Singapore and Malaysia, a binational expert-led approach supplemented by a quantitative evaluation framework was adopted. A set of preliminary translation candidates were developed via a four-stage process, firstly by a qualified translator, which was then vetted by linguistics experts, followed by examination via an experiential evaluation, and finally reviewed by the core research team. A total of 66 participants were then recruited cross-nationally to quantitatively evaluate the preliminary translation candidates. Of the eight attributes, cross-national differences were observed only in the translation of annoying. For instance, "menjengkelkan" was found to be significantly less understood in Singapore than in Malaysia, as well as less understandable than "membingitkan" within Singapore. Results of the quantitative evaluation also revealed the imperfect nature of foreign language translations for perceptual descriptors, which suggests a possibility for exploring corrective measures.

DenseGAP: Graph-Structured Dense Correspondence Learning with Anchor Points

Establishing dense correspondence between two images is a fundamental computer vision problem, which is typically tackled by matching local feature descriptors. However, without global awareness, such local features are often insufficient for disambiguating similar regions. And computing the pairwise feature correlation across images is both computation-expensive and memory-intensive. To make the local features aware of the global context and improve their matching accuracy, we introduce DenseGAP, a new solution for efficient Dense correspondence learning with a Graph-structured neural network conditioned on Anchor Points. Specifically, we first propose a graph structure that utilizes anchor points to provide sparse but reliable prior on inter- and intra-image context and propagates them to all image points via directed edges. We also design a graph-structured network to broadcast multi-level contexts via light-weighted message-passing layers and generate high-resolution feature maps at low memory cost. Finally, based on the predicted feature maps, we introduce a coarse-to-fine framework for accurate correspondence prediction using cycle consistency. Our feature descriptors capture both local and global information, thus enabling a continuous feature field for querying arbitrary points at high resolution. Through comprehensive ablative experiments and evaluations on large-scale indoor and outdoor datasets, we demonstrate that our method advances the state-of-the-art of correspondence learning on most benchmarks.

Domain-Adversarial Training of Neural Networks

We introduce a new representation learning approach for domain adaptation, in which data at training and test time come from similar but different distributions. Our approach is directly inspired by the theory on domain adaptation suggesting that, for effective domain transfer to be achieved, predictions must be made based on features that cannot discriminate between the training (source) and test (target) domains. The approach implements this idea in the context of neural network architectures that are trained on labeled data from the source domain and unlabeled data from the target domain (no labeled target-domain data is necessary). As the training progresses, the approach promotes the emergence of features that are (i) discriminative for the main learning task on the source domain and (ii) indiscriminate with respect to the shift between the domains. We show that this adaptation behaviour can be achieved in almost any feed-forward model by augmenting it with few standard layers and a new gradient reversal layer. The resulting augmented architecture can be trained using standard backpropagation and stochastic gradient descent, and can thus be implemented with little effort using any of the deep learning packages. We demonstrate the success of our approach for two distinct classification problems (document sentiment analysis and image classification), where state-of-the-art domain adaptation performance on standard benchmarks is achieved. We also validate the approach for descriptor learning task in the context of person re-identification application.

CNN Features off-the-shelf: an Astounding Baseline for Recognition

Recent results indicate that the generic descriptors extracted from the convolutional neural networks are very powerful. This paper adds to the mounting evidence that this is indeed the case. We report on a series of experiments conducted for different recognition tasks using the publicly available code and model of the \overfeat network which was trained to perform object classification on ILSVRC13. We use features extracted from the \overfeat network as a generic image representation to tackle the diverse range of recognition tasks of object image classification, scene recognition, fine grained recognition, attribute detection and image retrieval applied to a diverse set of datasets. We selected these tasks and datasets as they gradually move further away from the original task and data the \overfeat network was trained to solve. Astonishingly, we report consistent superior results compared to the highly tuned state-of-the-art systems in all the visual classification tasks on various datasets. For instance retrieval it consistently outperforms low memory footprint methods except for sculptures dataset. The results are achieved using a linear SVM classifier (or L2 distance in case of retrieval) applied to a feature representation of size 4096 extracted from a layer in the net. The representations are further modified using simple augmentation techniques e.g. jittering. The results strongly suggest that features obtained from deep learning with convolutional nets should be the primary candidate in most visual recognition tasks.

Text4Seg: Reimagining Image Segmentation as Text Generation

Multimodal Large Language Models (MLLMs) have shown exceptional capabilities in vision-language tasks; however, effectively integrating image segmentation into these models remains a significant challenge. In this paper, we introduce Text4Seg, a novel text-as-mask paradigm that casts image segmentation as a text generation problem, eliminating the need for additional decoders and significantly simplifying the segmentation process. Our key innovation is semantic descriptors, a new textual representation of segmentation masks where each image patch is mapped to its corresponding text label. This unified representation allows seamless integration into the auto-regressive training pipeline of MLLMs for easier optimization. We demonstrate that representing an image with 16times16 semantic descriptors yields competitive segmentation performance. To enhance efficiency, we introduce the Row-wise Run-Length Encoding (R-RLE), which compresses redundant text sequences, reducing the length of semantic descriptors by 74% and accelerating inference by 3times, without compromising performance. Extensive experiments across various vision tasks, such as referring expression segmentation and comprehension, show that Text4Seg achieves state-of-the-art performance on multiple datasets by fine-tuning different MLLM backbones. Our approach provides an efficient, scalable solution for vision-centric tasks within the MLLM framework.

FaVoR: Features via Voxel Rendering for Camera Relocalization

Camera relocalization methods range from dense image alignment to direct camera pose regression from a query image. Among these, sparse feature matching stands out as an efficient, versatile, and generally lightweight approach with numerous applications. However, feature-based methods often struggle with significant viewpoint and appearance changes, leading to matching failures and inaccurate pose estimates. To overcome this limitation, we propose a novel approach that leverages a globally sparse yet locally dense 3D representation of 2D features. By tracking and triangulating landmarks over a sequence of frames, we construct a sparse voxel map optimized to render image patch descriptors observed during tracking. Given an initial pose estimate, we first synthesize descriptors from the voxels using volumetric rendering and then perform feature matching to estimate the camera pose. This methodology enables the generation of descriptors for unseen views, enhancing robustness to view changes. We extensively evaluate our method on the 7-Scenes and Cambridge Landmarks datasets. Our results show that our method significantly outperforms existing state-of-the-art feature representation techniques in indoor environments, achieving up to a 39% improvement in median translation error. Additionally, our approach yields comparable results to other methods for outdoor scenarios while maintaining lower memory and computational costs.

PARE-Net: Position-Aware Rotation-Equivariant Networks for Robust Point Cloud Registration

Learning rotation-invariant distinctive features is a fundamental requirement for point cloud registration. Existing methods often use rotation-sensitive networks to extract features, while employing rotation augmentation to learn an approximate invariant mapping rudely. This makes networks fragile to rotations, overweight, and hinders the distinctiveness of features. To tackle these problems, we propose a novel position-aware rotation-equivariant network, for efficient, light-weighted, and robust registration. The network can provide a strong model inductive bias to learn rotation-equivariant/invariant features, thus addressing the aforementioned limitations. To further improve the distinctiveness of descriptors, we propose a position-aware convolution, which can better learn spatial information of local structures. Moreover, we also propose a feature-based hypothesis proposer. It leverages rotation-equivariant features that encode fine-grained structure orientations to generate reliable model hypotheses. Each correspondence can generate a hypothesis, thus it is more efficient than classic estimators that require multiple reliable correspondences. Accordingly, a contrastive rotation loss is presented to enhance the robustness of rotation-equivariant features against data degradation. Extensive experiments on indoor and outdoor datasets demonstrate that our method significantly outperforms the SOTA methods in terms of registration recall while being lightweight and keeping a fast speed. Moreover, experiments on rotated datasets demonstrate its robustness against rotation variations. Code is available at https://github.com/yaorz97/PARENet.

Dark Side Augmentation: Generating Diverse Night Examples for Metric Learning

Image retrieval methods based on CNN descriptors rely on metric learning from a large number of diverse examples of positive and negative image pairs. Domains, such as night-time images, with limited availability and variability of training data suffer from poor retrieval performance even with methods performing well on standard benchmarks. We propose to train a GAN-based synthetic-image generator, translating available day-time image examples into night images. Such a generator is used in metric learning as a form of augmentation, supplying training data to the scarce domain. Various types of generators are evaluated and analyzed. We contribute with a novel light-weight GAN architecture that enforces the consistency between the original and translated image through edge consistency. The proposed architecture also allows a simultaneous training of an edge detector that operates on both night and day images. To further increase the variability in the training examples and to maximize the generalization of the trained model, we propose a novel method of diverse anchor mining. The proposed method improves over the state-of-the-art results on a standard Tokyo 24/7 day-night retrieval benchmark while preserving the performance on Oxford and Paris datasets. This is achieved without the need of training image pairs of matching day and night images. The source code is available at https://github.com/mohwald/gandtr .

G3Reg: Pyramid Graph-based Global Registration using Gaussian Ellipsoid Model

This study introduces a novel framework, G3Reg, for fast and robust global registration of LiDAR point clouds. In contrast to conventional complex keypoints and descriptors, we extract fundamental geometric primitives, including planes, clusters, and lines (PCL) from the raw point cloud to obtain low-level semantic segments. Each segment is represented as a unified Gaussian Ellipsoid Model (GEM), using a probability ellipsoid to ensure the ground truth centers are encompassed with a certain degree of probability. Utilizing these GEMs, we present a distrust-and-verify scheme based on a Pyramid Compatibility Graph for Global Registration (PAGOR). Specifically, we establish an upper bound, which can be traversed based on the confidence level for compatibility testing to construct the pyramid graph. Then, we solve multiple maximum cliques (MAC) for each level of the pyramid graph, thus generating the corresponding transformation candidates. In the verification phase, we adopt a precise and efficient metric for point cloud alignment quality, founded on geometric primitives, to identify the optimal candidate. The algorithm's performance is validated on three publicly available datasets and a self-collected multi-session dataset. Parameter settings remained unchanged during the experiment evaluations. The results exhibit superior robustness and real-time performance of the G3Reg framework compared to state-of-the-art methods. Furthermore, we demonstrate the potential for integrating individual GEM and PAGOR components into other registration frameworks to enhance their efficacy. Code: https://github.com/HKUST-Aerial-Robotics/G3Reg

A Framework for Fast and Stable Representations of Multiparameter Persistent Homology Decompositions

Topological data analysis (TDA) is an area of data science that focuses on using invariants from algebraic topology to provide multiscale shape descriptors for geometric data sets such as point clouds. One of the most important such descriptors is {\em persistent homology}, which encodes the change in shape as a filtration parameter changes; a typical parameter is the feature scale. For many data sets, it is useful to simultaneously vary multiple filtration parameters, for example feature scale and density. While the theoretical properties of single parameter persistent homology are well understood, less is known about the multiparameter case. In particular, a central question is the problem of representing multiparameter persistent homology by elements of a vector space for integration with standard machine learning algorithms. Existing approaches to this problem either ignore most of the multiparameter information to reduce to the one-parameter case or are heuristic and potentially unstable in the face of noise. In this article, we introduce a new general representation framework that leverages recent results on {\em decompositions} of multiparameter persistent homology. This framework is rich in information, fast to compute, and encompasses previous approaches. Moreover, we establish theoretical stability guarantees under this framework as well as efficient algorithms for practical computation, making this framework an applicable and versatile tool for analyzing geometric and point cloud data. We validate our stability results and algorithms with numerical experiments that demonstrate statistical convergence, prediction accuracy, and fast running times on several real data sets.

Stable Vectorization of Multiparameter Persistent Homology using Signed Barcodes as Measures

Persistent homology (PH) provides topological descriptors for geometric data, such as weighted graphs, which are interpretable, stable to perturbations, and invariant under, e.g., relabeling. Most applications of PH focus on the one-parameter case -- where the descriptors summarize the changes in topology of data as it is filtered by a single quantity of interest -- and there is now a wide array of methods enabling the use of one-parameter PH descriptors in data science, which rely on the stable vectorization of these descriptors as elements of a Hilbert space. Although the multiparameter PH (MPH) of data that is filtered by several quantities of interest encodes much richer information than its one-parameter counterpart, the scarceness of stability results for MPH descriptors has so far limited the available options for the stable vectorization of MPH. In this paper, we aim to bring together the best of both worlds by showing how the interpretation of signed barcodes -- a recent family of MPH descriptors -- as signed measures leads to natural extensions of vectorization strategies from one parameter to multiple parameters. The resulting feature vectors are easy to define and to compute, and provably stable. While, as a proof of concept, we focus on simple choices of signed barcodes and vectorizations, we already see notable performance improvements when comparing our feature vectors to state-of-the-art topology-based methods on various types of data.

Visual Classification via Description from Large Language Models

Vision-language models (VLMs) such as CLIP have shown promising performance on a variety of recognition tasks using the standard zero-shot classification procedure -- computing similarity between the query image and the embedded words for each category. By only using the category name, they neglect to make use of the rich context of additional information that language affords. The procedure gives no intermediate understanding of why a category is chosen, and furthermore provides no mechanism for adjusting the criteria used towards this decision. We present an alternative framework for classification with VLMs, which we call classification by description. We ask VLMs to check for descriptive features rather than broad categories: to find a tiger, look for its stripes; its claws; and more. By basing decisions on these descriptors, we can provide additional cues that encourage using the features we want to be used. In the process, we can get a clear idea of what features the model uses to construct its decision; it gains some level of inherent explainability. We query large language models (e.g., GPT-3) for these descriptors to obtain them in a scalable way. Extensive experiments show our framework has numerous advantages past interpretability. We show improvements in accuracy on ImageNet across distribution shifts; demonstrate the ability to adapt VLMs to recognize concepts unseen during training; and illustrate how descriptors can be edited to effectively mitigate bias compared to the baseline.

AdsorbRL: Deep Multi-Objective Reinforcement Learning for Inverse Catalysts Design

A central challenge of the clean energy transition is the development of catalysts for low-emissions technologies. Recent advances in Machine Learning for quantum chemistry drastically accelerate the computation of catalytic activity descriptors such as adsorption energies. Here we introduce AdsorbRL, a Deep Reinforcement Learning agent aiming to identify potential catalysts given a multi-objective binding energy target, trained using offline learning on the Open Catalyst 2020 and Materials Project data sets. We experiment with Deep Q-Network agents to traverse the space of all ~160,000 possible unary, binary and ternary compounds of 55 chemical elements, with very sparse rewards based on adsorption energy known for only between 2,000 and 3,000 catalysts per adsorbate. To constrain the actions space, we introduce Random Edge Traversal and train a single-objective DQN agent on the known states subgraph, which we find strengthens target binding energy by an average of 4.1 eV. We extend this approach to multi-objective, goal-conditioned learning, and train a DQN agent to identify materials with the highest (respectively lowest) adsorption energies for multiple simultaneous target adsorbates. We experiment with Objective Sub-Sampling, a novel training scheme aimed at encouraging exploration in the multi-objective setup, and demonstrate simultaneous adsorption energy improvement across all target adsorbates, by an average of 0.8 eV. Overall, our results suggest strong potential for Deep Reinforcement Learning applied to the inverse catalysts design problem.

Improving Prototypical Parts Abstraction for Case-Based Reasoning Explanations Designed for the Kidney Stone Type Recognition

The in-vivo identification of the kidney stone types during an ureteroscopy would be a major medical advance in urology, as it could reduce the time of the tedious renal calculi extraction process, while diminishing infection risks. Furthermore, such an automated procedure would make possible to prescribe anti-recurrence treatments immediately. Nowadays, only few experienced urologists are able to recognize the kidney stone types in the images of the videos displayed on a screen during the endoscopy. Thus, several deep learning (DL) models have recently been proposed to automatically recognize the kidney stone types using ureteroscopic images. However, these DL models are of black box nature whicl limits their applicability in clinical settings. This contribution proposes a case-based reasoning DL model which uses prototypical parts (PPs) and generates local and global descriptors. The PPs encode for each class (i.e., kidney stone type) visual feature information (hue, saturation, intensity and textures) similar to that used by biologists. The PPs are optimally generated due a new loss function used during the model training. Moreover, the local and global descriptors of PPs allow to explain the decisions ("what" information, "where in the images") in an understandable way for biologists and urologists. The proposed DL model has been tested on a database including images of the six most widespread kidney stone types. The overall average classification accuracy was 90.37. When comparing this results with that of the eight other DL models of the kidney stone state-of-the-art, it can be seen that the valuable gain in explanability was not reached at the expense of accuracy which was even slightly increased with respect to that (88.2) of the best method of the literature. These promising and interpretable results also encourage urologists to put their trust in AI-based solutions.

Differentiability and Optimization of Multiparameter Persistent Homology

Real-valued functions on geometric data -- such as node attributes on a graph -- can be optimized using descriptors from persistent homology, allowing the user to incorporate topological terms in the loss function. When optimizing a single real-valued function (the one-parameter setting), there is a canonical choice of descriptor for persistent homology: the barcode. The operation mapping a real-valued function to its barcode is differentiable almost everywhere, and the convergence of gradient descent for losses using barcodes is relatively well understood. When optimizing a vector-valued function (the multiparameter setting), there is no unique choice of descriptor for multiparameter persistent homology, and many distinct descriptors have been proposed. This calls for the development of a general framework for differentiability and optimization that applies to a wide range of multiparameter homological descriptors. In this article, we develop such a framework and show that it encompasses well-known descriptors of different flavors, such as signed barcodes and the multiparameter persistence landscape. We complement the theory with numerical experiments supporting the idea that optimizing multiparameter homological descriptors can lead to improved performances compared to optimizing one-parameter descriptors, even when using the simplest and most efficiently computable multiparameter descriptors.

Rotation-Invariant Transformer for Point Cloud Matching

The intrinsic rotation invariance lies at the core of matching point clouds with handcrafted descriptors. However, it is widely despised by recent deep matchers that obtain the rotation invariance extrinsically via data augmentation. As the finite number of augmented rotations can never span the continuous SO(3) space, these methods usually show instability when facing rotations that are rarely seen. To this end, we introduce RoITr, a Rotation-Invariant Transformer to cope with the pose variations in the point cloud matching task. We contribute both on the local and global levels. Starting from the local level, we introduce an attention mechanism embedded with Point Pair Feature (PPF)-based coordinates to describe the pose-invariant geometry, upon which a novel attention-based encoder-decoder architecture is constructed. We further propose a global transformer with rotation-invariant cross-frame spatial awareness learned by the self-attention mechanism, which significantly improves the feature distinctiveness and makes the model robust with respect to the low overlap. Experiments are conducted on both the rigid and non-rigid public benchmarks, where RoITr outperforms all the state-of-the-art models by a considerable margin in the low-overlapping scenarios. Especially when the rotations are enlarged on the challenging 3DLoMatch benchmark, RoITr surpasses the existing methods by at least 13 and 5 percentage points in terms of Inlier Ratio and Registration Recall, respectively.

PlaNet - Photo Geolocation with Convolutional Neural Networks

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.

Is It Really Long Context if All You Need Is Retrieval? Towards Genuinely Difficult Long Context NLP

Improvements in language models' capabilities have pushed their applications towards longer contexts, making long-context evaluation and development an active research area. However, many disparate use-cases are grouped together under the umbrella term of "long-context", defined simply by the total length of the model's input, including - for example - Needle-in-a-Haystack tasks, book summarization, and information aggregation. Given their varied difficulty, in this position paper we argue that conflating different tasks by their context length is unproductive. As a community, we require a more precise vocabulary to understand what makes long-context tasks similar or different. We propose to unpack the taxonomy of long-context based on the properties that make them more difficult with longer contexts. We propose two orthogonal axes of difficulty: (I) Diffusion: How hard is it to find the necessary information in the context? (II) Scope: How much necessary information is there to find? We survey the literature on long-context, provide justification for this taxonomy as an informative descriptor, and situate the literature with respect to it. We conclude that the most difficult and interesting settings, whose necessary information is very long and highly diffused within the input, is severely under-explored. By using a descriptive vocabulary and discussing the relevant properties of difficulty in long-context, we can implement more informed research in this area. We call for a careful design of tasks and benchmarks with distinctly long context, taking into account the characteristics that make it qualitatively different from shorter context.

LION: Linear Group RNN for 3D Object Detection in Point Clouds

The benefit of transformers in large-scale 3D point cloud perception tasks, such as 3D object detection, is limited by their quadratic computation cost when modeling long-range relationships. In contrast, linear RNNs have low computational complexity and are suitable for long-range modeling. Toward this goal, we propose a simple and effective window-based framework built on LInear grOup RNN (i.e., perform linear RNN for grouped features) for accurate 3D object detection, called LION. The key property is to allow sufficient feature interaction in a much larger group than transformer-based methods. However, effectively applying linear group RNN to 3D object detection in highly sparse point clouds is not trivial due to its limitation in handling spatial modeling. To tackle this problem, we simply introduce a 3D spatial feature descriptor and integrate it into the linear group RNN operators to enhance their spatial features rather than blindly increasing the number of scanning orders for voxel features. To further address the challenge in highly sparse point clouds, we propose a 3D voxel generation strategy to densify foreground features thanks to linear group RNN as a natural property of auto-regressive models. Extensive experiments verify the effectiveness of the proposed components and the generalization of our LION on different linear group RNN operators including Mamba, RWKV, and RetNet. Furthermore, it is worth mentioning that our LION-Mamba achieves state-of-the-art on Waymo, nuScenes, Argoverse V2, and ONCE dataset. Last but not least, our method supports kinds of advanced linear RNN operators (e.g., RetNet, RWKV, Mamba, xLSTM and TTT) on small but popular KITTI dataset for a quick experience with our linear RNN-based framework.

Large Language Models to Identify Social Determinants of Health in Electronic Health Records

Social determinants of health (SDoH) have an important impact on patient outcomes but are incompletely collected from the electronic health records (EHR). This study researched the ability of large language models to extract SDoH from free text in EHRs, where they are most commonly documented, and explored the role of synthetic clinical text for improving the extraction of these scarcely documented, yet extremely valuable, clinical data. 800 patient notes were annotated for SDoH categories, and several transformer-based models were evaluated. The study also experimented with synthetic data generation and assessed for algorithmic bias. Our best-performing models were fine-tuned Flan-T5 XL (macro-F1 0.71) for any SDoH, and Flan-T5 XXL (macro-F1 0.70). The benefit of augmenting fine-tuning with synthetic data varied across model architecture and size, with smaller Flan-T5 models (base and large) showing the greatest improvements in performance (delta F1 +0.12 to +0.23). Model performance was similar on the in-hospital system dataset but worse on the MIMIC-III dataset. Our best-performing fine-tuned models outperformed zero- and few-shot performance of ChatGPT-family models for both tasks. These fine-tuned models were less likely than ChatGPT to change their prediction when race/ethnicity and gender descriptors were added to the text, suggesting less algorithmic bias (p<0.05). At the patient-level, our models identified 93.8% of patients with adverse SDoH, while ICD-10 codes captured 2.0%. Our method can effectively extracted SDoH information from clinic notes, performing better compare to GPT zero- and few-shot settings. These models could enhance real-world evidence on SDoH and aid in identifying patients needing social support.

Bias Loss for Mobile Neural Networks

Compact convolutional neural networks (CNNs) have witnessed exceptional improvements in performance in recent years. However, they still fail to provide the same predictive power as CNNs with a large number of parameters. The diverse and even abundant features captured by the layers is an important characteristic of these successful CNNs. However, differences in this characteristic between large CNNs and their compact counterparts have rarely been investigated. In compact CNNs, due to the limited number of parameters, abundant features are unlikely to be obtained, and feature diversity becomes an essential characteristic. Diverse features present in the activation maps derived from a data point during model inference may indicate the presence of a set of unique descriptors necessary to distinguish between objects of different classes. In contrast, data points with low feature diversity may not provide a sufficient amount of unique descriptors to make a valid prediction; we refer to them as random predictions. Random predictions can negatively impact the optimization process and harm the final performance. This paper proposes addressing the problem raised by random predictions by reshaping the standard cross-entropy to make it biased toward data points with a limited number of unique descriptive features. Our novel Bias Loss focuses the training on a set of valuable data points and prevents the vast number of samples with poor learning features from misleading the optimization process. Furthermore, to show the importance of diversity, we present a family of SkipNet models whose architectures are brought to boost the number of unique descriptors in the last layers. Our Skipnet-M can achieve 1% higher classification accuracy than MobileNetV3 Large.

Coarse-to-Fine: Learning Compact Discriminative Representation for Single-Stage Image Retrieval

Image retrieval targets to find images from a database that are visually similar to the query image. Two-stage methods following retrieve-and-rerank paradigm have achieved excellent performance, but their separate local and global modules are inefficient to real-world applications. To better trade-off retrieval efficiency and accuracy, some approaches fuse global and local feature into a joint representation to perform single-stage image retrieval. However, they are still challenging due to various situations to tackle, e.g., background, occlusion and viewpoint. In this work, we design a Coarse-to-Fine framework to learn Compact Discriminative representation (CFCD) for end-to-end single-stage image retrieval-requiring only image-level labels. Specifically, we first design a novel adaptive softmax-based loss which dynamically tunes its scale and margin within each mini-batch and increases them progressively to strengthen supervision during training and intra-class compactness. Furthermore, we propose a mechanism which attentively selects prominent local descriptors and infuse fine-grained semantic relations into the global representation by a hard negative sampling strategy to optimize inter-class distinctiveness at a global scale. Extensive experimental results have demonstrated the effectiveness of our method, which achieves state-of-the-art single-stage image retrieval performance on benchmarks such as Revisited Oxford and Revisited Paris. Code is available at https://github.com/bassyess/CFCD.

GPGait: Generalized Pose-based Gait Recognition

Recent works on pose-based gait recognition have demonstrated the potential of using such simple information to achieve results comparable to silhouette-based methods. However, the generalization ability of pose-based methods on different datasets is undesirably inferior to that of silhouette-based ones, which has received little attention but hinders the application of these methods in real-world scenarios. To improve the generalization ability of pose-based methods across datasets, we propose a Generalized Pose-based Gait recognition (GPGait) framework. First, a Human-Oriented Transformation (HOT) and a series of Human-Oriented Descriptors (HOD) are proposed to obtain a unified pose representation with discriminative multi-features. Then, given the slight variations in the unified representation after HOT and HOD, it becomes crucial for the network to extract local-global relationships between the keypoints. To this end, a Part-Aware Graph Convolutional Network (PAGCN) is proposed to enable efficient graph partition and local-global spatial feature extraction. Experiments on four public gait recognition datasets, CASIA-B, OUMVLP-Pose, Gait3D and GREW, show that our model demonstrates better and more stable cross-domain capabilities compared to existing skeleton-based methods, achieving comparable recognition results to silhouette-based ones. Code is available at https://github.com/BNU-IVC/FastPoseGait.

Deep Multi-View Enhancement Hashing for Image Retrieval

Hashing is an efficient method for nearest neighbor search in large-scale data space by embedding high-dimensional feature descriptors into a similarity preserving Hamming space with a low dimension. However, large-scale high-speed retrieval through binary code has a certain degree of reduction in retrieval accuracy compared to traditional retrieval methods. We have noticed that multi-view methods can well preserve the diverse characteristics of data. Therefore, we try to introduce the multi-view deep neural network into the hash learning field, and design an efficient and innovative retrieval model, which has achieved a significant improvement in retrieval performance. In this paper, we propose a supervised multi-view hash model which can enhance the multi-view information through neural networks. This is a completely new hash learning method that combines multi-view and deep learning methods. The proposed method utilizes an effective view stability evaluation method to actively explore the relationship among views, which will affect the optimization direction of the entire network. We have also designed a variety of multi-data fusion methods in the Hamming space to preserve the advantages of both convolution and multi-view. In order to avoid excessive computing resources on the enhancement procedure during retrieval, we set up a separate structure called memory network which participates in training together. The proposed method is systematically evaluated on the CIFAR-10, NUS-WIDE and MS-COCO datasets, and the results show that our method significantly outperforms the state-of-the-art single-view and multi-view hashing methods.

Xplainer: From X-Ray Observations to Explainable Zero-Shot Diagnosis

Automated diagnosis prediction from medical images is a valuable resource to support clinical decision-making. However, such systems usually need to be trained on large amounts of annotated data, which often is scarce in the medical domain. Zero-shot methods address this challenge by allowing a flexible adaption to new settings with different clinical findings without relying on labeled data. Further, to integrate automated diagnosis in the clinical workflow, methods should be transparent and explainable, increasing medical professionals' trust and facilitating correctness verification. In this work, we introduce Xplainer, a novel framework for explainable zero-shot diagnosis in the clinical setting. Xplainer adapts the classification-by-description approach of contrastive vision-language models to the multi-label medical diagnosis task. Specifically, instead of directly predicting a diagnosis, we prompt the model to classify the existence of descriptive observations, which a radiologist would look for on an X-Ray scan, and use the descriptor probabilities to estimate the likelihood of a diagnosis. Our model is explainable by design, as the final diagnosis prediction is directly based on the prediction of the underlying descriptors. We evaluate Xplainer on two chest X-ray datasets, CheXpert and ChestX-ray14, and demonstrate its effectiveness in improving the performance and explainability of zero-shot diagnosis. Our results suggest that Xplainer provides a more detailed understanding of the decision-making process and can be a valuable tool for clinical diagnosis.

Achieving Human Level Competitive Robot Table Tennis

Achieving human-level speed and performance on real world tasks is a north star for the robotics research community. This work takes a step towards that goal and presents the first learned robot agent that reaches amateur human-level performance in competitive table tennis. Table tennis is a physically demanding sport which requires human players to undergo years of training to achieve an advanced level of proficiency. In this paper, we contribute (1) a hierarchical and modular policy architecture consisting of (i) low level controllers with their detailed skill descriptors which model the agent's capabilities and help to bridge the sim-to-real gap and (ii) a high level controller that chooses the low level skills, (2) techniques for enabling zero-shot sim-to-real including an iterative approach to defining the task distribution that is grounded in the real-world and defines an automatic curriculum, and (3) real time adaptation to unseen opponents. Policy performance was assessed through 29 robot vs. human matches of which the robot won 45% (13/29). All humans were unseen players and their skill level varied from beginner to tournament level. Whilst the robot lost all matches vs. the most advanced players it won 100% matches vs. beginners and 55% matches vs. intermediate players, demonstrating solidly amateur human-level performance. Videos of the matches can be viewed at https://sites.google.com/view/competitive-robot-table-tennis

Hugging Rain Man: A Novel Facial Action Units Dataset for Analyzing Atypical Facial Expressions in Children with Autism Spectrum Disorder

Children with Autism Spectrum Disorder (ASD) often exhibit atypical facial expressions. However, the specific objective facial features that underlie this subjective perception remain unclear. In this paper, we introduce a novel dataset, Hugging Rain Man (HRM), which includes facial action units (AUs) manually annotated by FACS experts for both children with ASD and typical development (TD). The dataset comprises a rich collection of posed and spontaneous facial expressions, totaling approximately 130,000 frames, along with 22 AUs, 10 Action Descriptors (ADs), and atypicality ratings. A statistical analysis of static images from the HRM reveals significant differences between the ASD and TD groups across multiple AUs and ADs when displaying the same emotional expressions, confirming that participants with ASD tend to demonstrate more irregular and diverse expression patterns. Subsequently, a temporal regression method was presented to analyze atypicality of dynamic sequences, thereby bridging the gap between subjective perception and objective facial characteristics. Furthermore, baseline results for AU detection are provided for future research reference. This work not only contributes to our understanding of the unique facial expression characteristics associated with ASD but also provides potential tools for ASD early screening. Portions of the dataset, features, and pretrained models are accessible at: https://github.com/Jonas-DL/Hugging-Rain-Man.

SUDS: Scalable Urban Dynamic Scenes

We extend neural radiance fields (NeRFs) to dynamic large-scale urban scenes. Prior work tends to reconstruct single video clips of short durations (up to 10 seconds). Two reasons are that such methods (a) tend to scale linearly with the number of moving objects and input videos because a separate model is built for each and (b) tend to require supervision via 3D bounding boxes and panoptic labels, obtained manually or via category-specific models. As a step towards truly open-world reconstructions of dynamic cities, we introduce two key innovations: (a) we factorize the scene into three separate hash table data structures to efficiently encode static, dynamic, and far-field radiance fields, and (b) we make use of unlabeled target signals consisting of RGB images, sparse LiDAR, off-the-shelf self-supervised 2D descriptors, and most importantly, 2D optical flow. Operationalizing such inputs via photometric, geometric, and feature-metric reconstruction losses enables SUDS to decompose dynamic scenes into the static background, individual objects, and their motions. When combined with our multi-branch table representation, such reconstructions can be scaled to tens of thousands of objects across 1.2 million frames from 1700 videos spanning geospatial footprints of hundreds of kilometers, (to our knowledge) the largest dynamic NeRF built to date. We present qualitative initial results on a variety of tasks enabled by our representations, including novel-view synthesis of dynamic urban scenes, unsupervised 3D instance segmentation, and unsupervised 3D cuboid detection. To compare to prior work, we also evaluate on KITTI and Virtual KITTI 2, surpassing state-of-the-art methods that rely on ground truth 3D bounding box annotations while being 10x quicker to train.