Daily Papers

Existing video-language pre-training methods primarily focus on instance-level alignment between video clips and captions via global contrastive learning but neglect rich fine-grained local information in both videos and text, which is of importance to downstream tasks requiring temporal localization and semantic reasoning. A powerful model is expected to be capable of capturing region-object correspondences and recognizing scene changes in a video clip, reflecting spatial and temporal granularity, respectively. To strengthen model's understanding into such fine-grained details, we propose a simple yet effective video-language modeling framework, S-ViLM, by exploiting the intrinsic structures of these two modalities. It includes two novel designs, inter-clip spatial grounding and intra-clip temporal grouping, to promote learning region-object alignment and temporal-aware features, simultaneously. Comprehensive evaluations demonstrate that S-ViLM performs favorably against existing approaches in learning more expressive representations. Specifically, S-ViLM surpasses the state-of-the-art methods substantially on four representative downstream tasks, covering text-video retrieval, video question answering, video action recognition, and temporal action localization.

The strong-field gravity in General Relativity (GR) realized in neutron stars (NSs) renders the Equation of State (EOS) P(varepsilon) of supradense neutron star (NS) matter to be essentially nonlinear and refines the upper bound for phiequiv P/varepsilon to be much smaller than the Special Relativity (SR) requirement with linear EOSs, where P and varepsilon are respectively the pressure and energy density of the system considered. Specifically, a tight bound philesssim0.374 is obtained by anatomizing perturbatively the intrinsic structures of the scaled Tolman--Oppenheimer--Volkoff (TOV) equations without using any input nuclear EOS. New insights gained from this novel analysis provide EOS-model independent constraints on properties (e.g., density profiles of the sound speed squared s^2=d P/dvarepsilon and trace anomaly Delta=1/3-phi) of cold supradense matter in NS cores. Using the gravity-matter duality in theories describing NSs, we investigate the impact of gravity on supradense matter EOS in NSs. In particular, we show that the NS mass M_{NS}, radius R and its compactness xiequiv M_{NS}/R scale with certain combinations of its central pressure and energy density (encapsulating its central EOS). Thus, observational data on these properties of NSs can straightforwardly constrain NS central EOSs without relying on any specific nuclear EOS-model.

We are creating multimedia contents everyday and everywhere. While automatic content generation has played a fundamental challenge to multimedia community for decades, recent advances of deep learning have made this problem feasible. For example, the Generative Adversarial Networks (GANs) is a rewarding approach to synthesize images. Nevertheless, it is not trivial when capitalizing on GANs to generate videos. The difficulty originates from the intrinsic structure where a video is a sequence of visually coherent and semantically dependent frames. This motivates us to explore semantic and temporal coherence in designing GANs to generate videos. In this paper, we present a novel Temporal GANs conditioning on Captions, namely TGANs-C, in which the input to the generator network is a concatenation of a latent noise vector and caption embedding, and then is transformed into a frame sequence with 3D spatio-temporal convolutions. Unlike the naive discriminator which only judges pairs as fake or real, our discriminator additionally notes whether the video matches the correct caption. In particular, the discriminator network consists of three discriminators: video discriminator classifying realistic videos from generated ones and optimizes video-caption matching, frame discriminator discriminating between real and fake frames and aligning frames with the conditioning caption, and motion discriminator emphasizing the philosophy that the adjacent frames in the generated videos should be smoothly connected as in real ones. We qualitatively demonstrate the capability of our TGANs-C to generate plausible videos conditioning on the given captions on two synthetic datasets (SBMG and TBMG) and one real-world dataset (MSVD). Moreover, quantitative experiments on MSVD are performed to validate our proposal via Generative Adversarial Metric and human study.

Self-supervised learning (SSL) models use only the intrinsic structure of a given signal, independent of its acoustic domain, to extract essential information from the input to an embedding space. This implies that the utility of such representations is not limited to modeling human speech alone. Building on this understanding, this paper explores the cross-transferability of SSL neural representations learned from human speech to analyze bio-acoustic signals. We conduct a caller discrimination analysis and a caller detection study on Marmoset vocalizations using eleven SSL models pre-trained with various pretext tasks. The results show that the embedding spaces carry meaningful caller information and can successfully distinguish the individual identities of Marmoset callers without fine-tuning. This demonstrates that representations pre-trained on human speech can be effectively applied to the bio-acoustics domain, providing valuable insights for future investigations in this field.

For named entity recognition (NER) in zero-resource languages, utilizing knowledge distillation methods to transfer language-independent knowledge from the rich-resource source languages to zero-resource languages is an effective means. Typically, these approaches adopt a teacher-student architecture, where the teacher network is trained in the source language, and the student network seeks to learn knowledge from the teacher network and is expected to perform well in the target language. Despite the impressive performance achieved by these methods, we argue that they have two limitations. Firstly, the teacher network fails to effectively learn language-independent knowledge shared across languages due to the differences in the feature distribution between the source and target languages. Secondly, the student network acquires all of its knowledge from the teacher network and ignores the learning of target language-specific knowledge. Undesirably, these limitations would hinder the model's performance in the target language. This paper proposes an unsupervised prototype knowledge distillation network (ProKD) to address these issues. Specifically, ProKD presents a contrastive learning-based prototype alignment method to achieve class feature alignment by adjusting the distance among prototypes in the source and target languages, boosting the teacher network's capacity to acquire language-independent knowledge. In addition, ProKD introduces a prototypical self-training method to learn the intrinsic structure of the language by retraining the student network on the target data using samples' distance information from prototypes, thereby enhancing the student network's ability to acquire language-specific knowledge. Extensive experiments on three benchmark cross-lingual NER datasets demonstrate the effectiveness of our approach.

Reconstructing photo-realistic animatable human avatars from monocular videos remains challenging in computer vision and graphics. Recently, methods using 3D Gaussians to represent the human body have emerged, offering faster optimization and real-time rendering. However, due to ignoring the crucial role of human body semantic information which represents the intrinsic structure and connections within the human body, they fail to achieve fine-detail reconstruction of dynamic human avatars. To address this issue, we propose SG-GS, which uses semantics-embedded 3D Gaussians, skeleton-driven rigid deformation, and non-rigid cloth dynamics deformation to create photo-realistic animatable human avatars from monocular videos. We then design a Semantic Human-Body Annotator (SHA) which utilizes SMPL's semantic prior for efficient body part semantic labeling. The generated labels are used to guide the optimization of Gaussian semantic attributes. To address the limited receptive field of point-level MLPs for local features, we also propose a 3D network that integrates geometric and semantic associations for human avatar deformation. We further implement three key strategies to enhance the semantic accuracy of 3D Gaussians and rendering quality: semantic projection with 2D regularization, semantic-guided density regularization and semantic-aware regularization with neighborhood consistency. Extensive experiments demonstrate that SG-GS achieves state-of-the-art geometry and appearance reconstruction performance.

A suitable feature representation that can both preserve the data intrinsic information and reduce data complexity and dimensionality is key to the performance of machine learning models. Deeply rooted in algebraic topology, persistent homology (PH) provides a delicate balance between data simplification and intrinsic structure characterization, and has been applied to various areas successfully. However, the combination of PH and machine learning has been hindered greatly by three challenges, namely topological representation of data, PH-based distance measurements or metrics, and PH-based feature representation. With the development of topological data analysis, progresses have been made on all these three problems, but widely scattered in different literatures. In this paper, we provide a systematical review of PH and PH-based supervised and unsupervised models from a computational perspective. Our emphasizes are the recent development of mathematical models and tools, including PH softwares and PH-based functions, feature representations, kernels, and similarity models. Essentially, this paper can work as a roadmap for the practical application of PH-based machine learning tools. Further, we consider different topological feature representations in different machine learning models, and investigate their impacts on the protein secondary structure classification.

In this study, we introduce adaptive KV cache compression, a plug-and-play method that reduces the memory footprint of generative inference for Large Language Models (LLMs). Different from the conventional KV cache that retains key and value vectors for all context tokens, we conduct targeted profiling to discern the intrinsic structure of attention modules. Based on the recognized structure, we then construct the KV cache in an adaptive manner: evicting long-range contexts on attention heads emphasizing local contexts, discarding non-special tokens on attention heads centered on special tokens, and only employing the standard KV cache for attention heads that broadly attend to all tokens. Moreover, with the lightweight attention profiling used to guide the construction of the adaptive KV cache, FastGen can be deployed without resource-intensive fine-tuning or re-training. In our experiments across various asks, FastGen demonstrates substantial reduction on GPU memory consumption with negligible generation quality loss. We will release our code and the compatible CUDA kernel for reproducibility.

Marmoset monkeys encode vital information in their calls and serve as a surrogate model for neuro-biologists to understand the evolutionary origins of human vocal communication. Traditionally analyzed with signal processing-based features, recent approaches have utilized self-supervised models pre-trained on human speech for feature extraction, capitalizing on their ability to learn a signal's intrinsic structure independently of its acoustic domain. However, the utility of such foundation models remains unclear for marmoset call analysis in terms of multi-class classification, bandwidth, and pre-training domain. This study assesses feature representations derived from speech and general audio domains, across pre-training bandwidths of 4, 8, and 16 kHz for marmoset call-type and caller classification tasks. Results show that models with higher bandwidth improve performance, and pre-training on speech or general audio yields comparable results, improving over a spectral baseline.

Legal case retrieval, which aims to find relevant cases for a query case, plays a core role in the intelligent legal system. Despite the success that pre-training has achieved in ad-hoc retrieval tasks, effective pre-training strategies for legal case retrieval remain to be explored. Compared with general documents, legal case documents are typically long text sequences with intrinsic logical structures. However, most existing language models have difficulty understanding the long-distance dependencies between different structures. Moreover, in contrast to the general retrieval, the relevance in the legal domain is sensitive to key legal elements. Even subtle differences in key legal elements can significantly affect the judgement of relevance. However, existing pre-trained language models designed for general purposes have not been equipped to handle legal elements. To address these issues, in this paper, we propose SAILER, a new Structure-Aware pre-traIned language model for LEgal case Retrieval. It is highlighted in the following three aspects: (1) SAILER fully utilizes the structural information contained in legal case documents and pays more attention to key legal elements, similar to how legal experts browse legal case documents. (2) SAILER employs an asymmetric encoder-decoder architecture to integrate several different pre-training objectives. In this way, rich semantic information across tasks is encoded into dense vectors. (3) SAILER has powerful discriminative ability, even without any legal annotation data. It can distinguish legal cases with different charges accurately. Extensive experiments over publicly available legal benchmarks demonstrate that our approach can significantly outperform previous state-of-the-art methods in legal case retrieval.

We introduce SELF-DISCOVER, a general framework for LLMs to self-discover the task-intrinsic reasoning structures to tackle complex reasoning problems that are challenging for typical prompting methods. Core to the framework is a self-discovery process where LLMs select multiple atomic reasoning modules such as critical thinking and step-by-step thinking, and compose them into an explicit reasoning structure for LLMs to follow during decoding. SELF-DISCOVER substantially improves GPT-4 and PaLM 2's performance on challenging reasoning benchmarks such as BigBench-Hard, grounded agent reasoning, and MATH, by as much as 32% compared to Chain of Thought (CoT). Furthermore, SELF-DISCOVER outperforms inference-intensive methods such as CoT-Self-Consistency by more than 20%, while requiring 10-40x fewer inference compute. Finally, we show that the self-discovered reasoning structures are universally applicable across model families: from PaLM 2-L to GPT-4, and from GPT-4 to Llama2, and share commonalities with human reasoning patterns.

Real-world visual data exhibit intrinsic hierarchical structures that can be represented effectively in hyperbolic spaces. Hyperbolic neural networks (HNNs) are a promising approach for learning feature representations in such spaces. However, current HNNs in computer vision rely on Euclidean backbones and only project features to the hyperbolic space in the task heads, limiting their ability to fully leverage the benefits of hyperbolic geometry. To address this, we present HCNN, a fully hyperbolic convolutional neural network (CNN) designed for computer vision tasks. Based on the Lorentz model, we generalize fundamental components of CNNs and propose novel formulations of the convolutional layer, batch normalization, and multinomial logistic regression. {Experiments on standard vision tasks demonstrate the promising performance of our HCNN framework in both hybrid and fully hyperbolic settings.} Overall, we believe our contributions provide a foundation for developing more powerful HNNs that can better represent complex structures found in image data. Our code is publicly available at https://github.com/kschwethelm/HyperbolicCV.

Graph neural network (GNN) is a powerful learning approach for graph-based recommender systems. Recently, GNNs integrated with contrastive learning have shown superior performance in recommendation with their data augmentation schemes, aiming at dealing with highly sparse data. Despite their success, most existing graph contrastive learning methods either perform stochastic augmentation (e.g., node/edge perturbation) on the user-item interaction graph, or rely on the heuristic-based augmentation techniques (e.g., user clustering) for generating contrastive views. We argue that these methods cannot well preserve the intrinsic semantic structures and are easily biased by the noise perturbation. In this paper, we propose a simple yet effective graph contrastive learning paradigm LightGCL that mitigates these issues impairing the generality and robustness of CL-based recommenders. Our model exclusively utilizes singular value decomposition for contrastive augmentation, which enables the unconstrained structural refinement with global collaborative relation modeling. Experiments conducted on several benchmark datasets demonstrate the significant improvement in performance of our model over the state-of-the-arts. Further analyses demonstrate the superiority of LightGCL's robustness against data sparsity and popularity bias. The source code of our model is available at https://github.com/HKUDS/LightGCL.

Model editing has become an increasingly popular alternative for efficiently updating knowledge within language models. Current methods mainly focus on reliability, generalization, and locality, with many methods excelling across these criteria. Some recent works disclose the pitfalls of these editing methods such as knowledge distortion or conflict. However, the general abilities of post-edited language models remain unexplored. In this paper, we perform a comprehensive evaluation on various editing methods and different language models, and have following findings. (1) Existing editing methods lead to inevitable performance deterioration on general benchmarks, indicating that existing editing methods maintain the general abilities of the model within only a few dozen edits. When the number of edits is slightly large, the intrinsic knowledge structure of the model is disrupted or even completely damaged. (2) Instruction-tuned models are more robust to editing, showing less performance drop on general knowledge after editing. (3) Language model with large scale is more resistant to editing compared to small model. (4) The safety of the edited model, is significantly weakened, even for those safety-aligned models. Our findings indicate that current editing methods are only suitable for small-scale knowledge updates within language models, which motivates further research on more practical and reliable editing methods. The details of code and reproduction can be found in https://github.com/lqinfdim/EditingEvaluation.

Recent DETR-based video grounding models have made the model directly predict moment timestamps without any hand-crafted components, such as a pre-defined proposal or non-maximum suppression, by learning moment queries. However, their input-agnostic moment queries inevitably overlook an intrinsic temporal structure of a video, providing limited positional information. In this paper, we formulate an event-aware dynamic moment query to enable the model to take the input-specific content and positional information of the video into account. To this end, we present two levels of reasoning: 1) Event reasoning that captures distinctive event units constituting a given video using a slot attention mechanism; and 2) moment reasoning that fuses the moment queries with a given sentence through a gated fusion transformer layer and learns interactions between the moment queries and video-sentence representations to predict moment timestamps. Extensive experiments demonstrate the effectiveness and efficiency of the event-aware dynamic moment queries, outperforming state-of-the-art approaches on several video grounding benchmarks.

The Mixture-of-Experts (MoE) layer, a sparsely-activated model controlled by a router, has achieved great success in deep learning. However, the understanding of such architecture remains elusive. In this paper, we formally study how the MoE layer improves the performance of neural network learning and why the mixture model will not collapse into a single model. Our empirical results suggest that the cluster structure of the underlying problem and the non-linearity of the expert are pivotal to the success of MoE. To further understand this, we consider a challenging classification problem with intrinsic cluster structures, which is hard to learn using a single expert. Yet with the MoE layer, by choosing the experts as two-layer nonlinear convolutional neural networks (CNNs), we show that the problem can be learned successfully. Furthermore, our theory shows that the router can learn the cluster-center features, which helps divide the input complex problem into simpler linear classification sub-problems that individual experts can conquer. To our knowledge, this is the first result towards formally understanding the mechanism of the MoE layer for deep learning.

Realistic 3D human generation from text prompts is a desirable yet challenging task. Existing methods optimize 3D representations like mesh or neural fields via score distillation sampling (SDS), which suffers from inadequate fine details or excessive training time. In this paper, we propose an efficient yet effective framework, HumanGaussian, that generates high-quality 3D humans with fine-grained geometry and realistic appearance. Our key insight is that 3D Gaussian Splatting is an efficient renderer with periodic Gaussian shrinkage or growing, where such adaptive density control can be naturally guided by intrinsic human structures. Specifically, 1) we first propose a Structure-Aware SDS that simultaneously optimizes human appearance and geometry. The multi-modal score function from both RGB and depth space is leveraged to distill the Gaussian densification and pruning process. 2) Moreover, we devise an Annealed Negative Prompt Guidance by decomposing SDS into a noisier generative score and a cleaner classifier score, which well addresses the over-saturation issue. The floating artifacts are further eliminated based on Gaussian size in a prune-only phase to enhance generation smoothness. Extensive experiments demonstrate the superior efficiency and competitive quality of our framework, rendering vivid 3D humans under diverse scenarios. Project Page: https://alvinliu0.github.io/projects/HumanGaussian

Self-supervised learning (SSL) has recently achieved promising performance for 3D medical image analysis tasks. Most current methods follow existing SSL paradigm originally designed for photographic or natural images, which cannot explicitly and thoroughly exploit the intrinsic similar anatomical structures across varying medical images. This may in fact degrade the quality of learned deep representations by maximizing the similarity among features containing spatial misalignment information and different anatomical semantics. In this work, we propose a new self-supervised learning framework, namely Alice, that explicitly fulfills Anatomical invariance modeling and semantic alignment via elaborately combining discriminative and generative objectives. Alice introduces a new contrastive learning strategy which encourages the similarity between views that are diversely mined but with consistent high-level semantics, in order to learn invariant anatomical features. Moreover, we design a conditional anatomical feature alignment module to complement corrupted embeddings with globally matched semantics and inter-patch topology information, conditioned by the distribution of local image content, which permits to create better contrastive pairs. Our extensive quantitative experiments on three 3D medical image analysis tasks demonstrate and validate the performance superiority of Alice, surpassing the previous best SSL counterpart methods and showing promising ability for united representation learning. Codes are available at https://github.com/alibaba-damo-academy/alice.

Graph Structure Learning (GSL) focuses on capturing intrinsic dependencies and interactions among nodes in graph-structured data by generating novel graph structures. Graph Neural Networks (GNNs) have emerged as promising GSL solutions, utilizing recursive message passing to encode node-wise inter-dependencies. However, many existing GSL methods heavily depend on explicit graph structural information as supervision signals, leaving them susceptible to challenges such as data noise and sparsity. In this work, we propose GraphEdit, an approach that leverages large language models (LLMs) to learn complex node relationships in graph-structured data. By enhancing the reasoning capabilities of LLMs through instruction-tuning over graph structures, we aim to overcome the limitations associated with explicit graph structural information and enhance the reliability of graph structure learning. Our approach not only effectively denoises noisy connections but also identifies node-wise dependencies from a global perspective, providing a comprehensive understanding of the graph structure. We conduct extensive experiments on multiple benchmark datasets to demonstrate the effectiveness and robustness of GraphEdit across various settings. We have made our model implementation available at: https://github.com/HKUDS/GraphEdit.

A key method for creating Artificial Intelligence (AI) agents is Reinforcement Learning (RL). However, constructing a standalone RL policy that maps perception to action directly encounters severe problems, chief among them being its lack of generality across multiple tasks and the need for a large amount of training data. The leading cause is that it cannot effectively integrate prior information into the perception-action cycle when devising the policy. Large language models (LLMs) emerged as a fundamental way to incorporate cross-domain knowledge into AI agents but lack crucial learning and adaptation toward specific decision problems. This paper presents a general framework model for integrating and learning structured reasoning into AI agents' policies. Our methodology is motivated by the modularity found in the human brain. The framework utilises the construction of intrinsic and extrinsic functions to add previous understandings of reasoning structures. It also provides the adaptive ability to learn models inside every module or function, consistent with the modular structure of cognitive processes. We describe the framework in-depth and compare it with other AI pipelines and existing frameworks. The paper explores practical applications, covering experiments that show the effectiveness of our method. Our results indicate that AI agents perform and adapt far better when organised reasoning and prior knowledge are embedded. This opens the door to more resilient and general AI agent systems.

In this paper, we present a complete refractive Structure-from-Motion (RSfM) framework for underwater 3D reconstruction using refractive camera setups (for both, flat- and dome-port underwater housings). Despite notable achievements in refractive multi-view geometry over the past decade, a robust, complete and publicly available solution for such tasks is not available at present, and often practical applications have to resort to approximating refraction effects by the intrinsic (distortion) parameters of a pinhole camera model. To fill this gap, we have integrated refraction considerations throughout the entire SfM process within the state-of-the-art, open-source SfM framework COLMAP. Numerical simulations and reconstruction results on synthetically generated but photo-realistic images with ground truth validate that enabling refraction does not compromise accuracy or robustness as compared to in-air reconstructions. Finally, we demonstrate the capability of our approach for large-scale refractive scenarios using a dataset consisting of nearly 6000 images. The implementation is released as open-source at: https://cau-git.rz.uni-kiel.de/inf-ag-koeser/colmap_underwater.

While artificial intelligence has made remarkable strides in revealing the relationship between biological macromolecules' primary sequence and tertiary structure, designing RNA sequences based on specified tertiary structures remains challenging. Though existing approaches in protein design have thoroughly explored structure-to-sequence dependencies in proteins, RNA design still confronts difficulties due to structural complexity and data scarcity. Moreover, direct transplantation of protein design methodologies into RNA design fails to achieve satisfactory outcomes although sharing similar structural components. In this study, we aim to systematically construct a data-driven RNA design pipeline. We crafted a large, well-curated benchmark dataset and designed a comprehensive structural modeling approach to represent the complex RNA tertiary structure. More importantly, we proposed a hierarchical data-efficient representation learning framework that learns structural representations through contrastive learning at both cluster-level and sample-level to fully leverage the limited data. By constraining data representations within a limited hyperspherical space, the intrinsic relationships between data points could be explicitly imposed. Moreover, we incorporated extracted secondary structures with base pairs as prior knowledge to facilitate the RNA design process. Extensive experiments demonstrate the effectiveness of our proposed method, providing a reliable baseline for future RNA design tasks. The source code and benchmark dataset are available at https://github.com/A4Bio/RDesign.

Semantic role labeling (SRL) is a fundamental yet challenging task in the NLP community. Recent works of SRL mainly fall into two lines: 1) BIO-based; 2) span-based. Despite ubiquity, they share some intrinsic drawbacks of not considering internal argument structures, potentially hindering the model's expressiveness. The key challenge is arguments are flat structures, and there are no determined subtree realizations for words inside arguments. To remedy this, in this paper, we propose to regard flat argument spans as latent subtrees, accordingly reducing SRL to a tree parsing task. In particular, we equip our formulation with a novel span-constrained TreeCRF to make tree structures span-aware and further extend it to the second-order case. We conduct extensive experiments on CoNLL05 and CoNLL12 benchmarks. Results reveal that our methods perform favorably better than all previous syntax-agnostic works, achieving new state-of-the-art under both end-to-end and w/ gold predicates settings.

We introduce the first metric for evaluating disentanglement at individual hierarchy levels of a structured latent representation. Applied to object-centric generative models, this offers a systematic, unified approach to evaluating (i) object separation between latent slots (ii) disentanglement of object properties inside individual slots (iii) disentanglement of intrinsic and extrinsic object properties. We theoretically show that for structured representations, our framework gives stronger guarantees of selecting a good model than previous disentanglement metrics. Experimentally, we demonstrate that viewing object compositionality as a disentanglement problem addresses several issues with prior visual metrics of object separation. As a core technical component, we present the first representation probing algorithm handling slot permutation invariance.

In this paper, we propose a novel network, SVDFormer, to tackle two specific challenges in point cloud completion: understanding faithful global shapes from incomplete point clouds and generating high-accuracy local structures. Current methods either perceive shape patterns using only 3D coordinates or import extra images with well-calibrated intrinsic parameters to guide the geometry estimation of the missing parts. However, these approaches do not always fully leverage the cross-modal self-structures available for accurate and high-quality point cloud completion. To this end, we first design a Self-view Fusion Network that leverages multiple-view depth image information to observe incomplete self-shape and generate a compact global shape. To reveal highly detailed structures, we then introduce a refinement module, called Self-structure Dual-generator, in which we incorporate learned shape priors and geometric self-similarities for producing new points. By perceiving the incompleteness of each point, the dual-path design disentangles refinement strategies conditioned on the structural type of each point. SVDFormer absorbs the wisdom of self-structures, avoiding any additional paired information such as color images with precisely calibrated camera intrinsic parameters. Comprehensive experiments indicate that our method achieves state-of-the-art performance on widely-used benchmarks. Code will be available at https://github.com/czvvd/SVDFormer.

In the present paper we study the singularity structure of the exterior field of neutron stars with the aid of the four-parameter exact solution of the Einstein-Maxwell equations. The complete analysis of this problem in the generic case becomes possible due to the implementation of the novel analytical approach to the resolution of the singularity condition, and it shows the absence of the ring singularities off the symmetry axis in the positive mass case, as well as the possibility of the removal of the ring singularity by a strong magnetic field in the negative mass case. The solution takes an extraordinarily simple form in the equatorial plane, very similar to that of the Kerr solution, which makes it most suitable for astrophysical applications as the simplest model of a rotating magnetized deformed mass. It also provides a nontrivial example confirming a recent claim that the varphi component of the electromagnetic four-potential has features inconsistent with the intrinsic properties of the electrovac metric, while the magnetic field is represented correctly by the t component of the dual electromagnetic four-potential.

Infants explore their complex physical and social environment in an organized way. To gain insight into what intrinsic motivations may help structure this exploration, we create a virtual infant agent and place it in a developmentally-inspired 3D environment with no external rewards. The environment has a virtual caregiver agent with the capability to interact contingently with the infant agent in ways that resemble play. We test intrinsic reward functions that are similar to motivations that have been proposed to drive exploration in humans: surprise, uncertainty, novelty, and learning progress. These generic reward functions lead the infant agent to explore its environment and discover the contingencies that are embedded into the caregiver agent. The reward functions that are proxies for novelty and uncertainty are the most successful in generating diverse experiences and activating the environment contingencies. We also find that learning a world model in the presence of an attentive caregiver helps the infant agent learn how to predict scenarios with challenging social and physical dynamics. Taken together, our findings provide insight into how curiosity-like intrinsic rewards and contingent social interaction lead to dynamic social behavior and the creation of a robust predictive world model.

Recommending novel content, which expands user horizons by introducing them to new interests, has been shown to improve users' long-term experience on recommendation platforms chen2021values. Users however are not constantly looking to explore novel content. It is therefore crucial to understand their novelty-seeking intent and adjust the recommendation policy accordingly. Most existing literature models a user's propensity to choose novel content or to prefer a more diverse set of recommendations at individual interactions. Hierarchical structure, on the other hand, exists in a user's novelty-seeking intent, which is manifested as a static and intrinsic user preference for seeking novelty along with a dynamic session-based propensity. To this end, we propose a novel hierarchical reinforcement learning-based method to model the hierarchical user novelty-seeking intent, and to adapt the recommendation policy accordingly based on the extracted user novelty-seeking propensity. We further incorporate diversity and novelty-related measurement in the reward function of the hierarchical RL (HRL) agent to encourage user exploration chen2021values. We demonstrate the benefits of explicitly modeling hierarchical user novelty-seeking intent in recommendations through extensive experiments on simulated and real-world datasets. In particular, we demonstrate that the effectiveness of our proposed hierarchical RL-based method lies in its ability to capture such hierarchically-structured intent. As a result, the proposed HRL model achieves superior performance on several public datasets, compared with state-of-art baselines.

Autonomous robots exploring unknown areas face a significant challenge -- navigating effectively without prior maps and with limited external feedback. This challenge intensifies in sparse reward environments, where traditional exploration techniques often fail. In this paper, we introduce TopoNav, a novel framework that empowers robots to overcome these constraints and achieve efficient, adaptable, and goal-oriented exploration. TopoNav's fundamental building blocks are active topological mapping, intrinsic reward mechanisms, and hierarchical objective prioritization. Throughout its exploration, TopoNav constructs a dynamic topological map that captures key locations and pathways. It utilizes intrinsic rewards to guide the robot towards designated sub-goals within this map, fostering structured exploration even in sparse reward settings. To ensure efficient navigation, TopoNav employs the Hierarchical Objective-Driven Active Topologies framework, enabling the robot to prioritize immediate tasks like obstacle avoidance while maintaining focus on the overall goal. We demonstrate TopoNav's effectiveness in simulated environments that replicate real-world conditions. Our results reveal significant improvements in exploration efficiency, navigational accuracy, and adaptability to unforeseen obstacles, showcasing its potential to revolutionize autonomous exploration in a wide range of applications, including search and rescue, environmental monitoring, and planetary exploration.

With the dramatically increased number of parameters in language models, sparsity methods have received ever-increasing research focus to compress and accelerate the models. While most research focuses on how to accurately retain appropriate weights while maintaining the performance of the compressed model, there are challenges in the computational overhead and memory footprint of sparse training when compressing large-scale language models. To address this problem, we propose a Parameter-efficient Sparse Training (PST) method to reduce the number of trainable parameters during sparse-aware training in downstream tasks. Specifically, we first combine the data-free and data-driven criteria to efficiently and accurately measure the importance of weights. Then we investigate the intrinsic redundancy of data-driven weight importance and derive two obvious characteristics i.e., low-rankness and structuredness. Based on that, two groups of small matrices are introduced to compute the data-driven importance of weights, instead of using the original large importance score matrix, which therefore makes the sparse training resource-efficient and parameter-efficient. Experiments with diverse networks (i.e., BERT, RoBERTa and GPT-2) on dozens of datasets demonstrate PST performs on par or better than previous sparsity methods, despite only training a small number of parameters. For instance, compared with previous sparsity methods, our PST only requires 1.5% trainable parameters to achieve comparable performance on BERT.

Low-resource languages (LRLs) face significant challenges in natural language processing (NLP) due to limited data. While current state-of-the-art large language models (LLMs) still struggle with LRLs, smaller multilingual models (mLMs) such as mBERT and XLM-R offer greater promise due to a better fit of their capacity to low training data sizes. This study systematically investigates parameter-efficient adapter-based methods for adapting mLMs to LRLs, evaluating three architectures: Sequential Bottleneck, Invertible Bottleneck, and Low-Rank Adaptation. Using unstructured text from GlotCC and structured knowledge from ConceptNet, we show that small adaptation datasets (e.g., up to 1 GB of free-text or a few MB of knowledge graph data) yield gains in intrinsic (masked language modeling) and extrinsic tasks (topic classification, sentiment analysis, and named entity recognition). We find that Sequential Bottleneck adapters excel in language modeling, while Invertible Bottleneck adapters slightly outperform other methods on downstream tasks due to better embedding alignment and larger parameter counts. Adapter-based methods match or outperform full fine-tuning while using far fewer parameters, and smaller mLMs prove more effective for LRLs than massive LLMs like LLaMA-3, GPT-4, and DeepSeek-R1-based distilled models. While adaptation improves performance, pre-training data size remains the dominant factor, especially for languages with extensive pre-training coverage.

Recently, binary representation has been proposed as a novel representation that lies between continuous and discrete representations. It exhibits considerable information-preserving capability when being used to replace continuous input vectors. In this paper, we investigate the feasibility of further introducing it to the output side, aiming to allow models to output binary labels instead. To preserve the structural information on the output side along with label information, we extend the previous contrastive hashing method as structured contrastive hashing. More specifically, we upgrade CKY from label-level to bit-level, define a new similarity function with span marginal probabilities, and introduce a novel contrastive loss function with a carefully designed instance selection strategy. Our model achieves competitive performance on various structured prediction tasks, and demonstrates that binary representation can be considered a novel representation that further bridges the gap between the continuous nature of deep learning and the discrete intrinsic property of natural languages.

Large language models (LLMs) such as GPT-4 have emerged as frontrunners, showcasing unparalleled prowess in diverse applications, including answering queries, code generation, and more. Parallelly, graph-structured data, an intrinsic data type, is pervasive in real-world scenarios. Merging the capabilities of LLMs with graph-structured data has been a topic of keen interest. This paper bifurcates such integrations into two predominant categories. The first leverages LLMs for graph learning, where LLMs can not only augment existing graph algorithms but also stand as prediction models for various graph tasks. Conversely, the second category underscores the pivotal role of graphs in advancing LLMs. Mirroring human cognition, we solve complex tasks by adopting graphs in either reasoning or collaboration. Integrating with such structures can significantly boost the performance of LLMs in various complicated tasks. We also discuss and propose open questions for integrating LLMs with graph-structured data for the future direction of the field.

Vector font synthesis is a challenging and ongoing problem in the fields of Computer Vision and Computer Graphics. The recently-proposed DeepVecFont achieved state-of-the-art performance by exploiting information of both the image and sequence modalities of vector fonts. However, it has limited capability for handling long sequence data and heavily relies on an image-guided outline refinement post-processing. Thus, vector glyphs synthesized by DeepVecFont still often contain some distortions and artifacts and cannot rival human-designed results. To address the above problems, this paper proposes an enhanced version of DeepVecFont mainly by making the following three novel technical contributions. First, we adopt Transformers instead of RNNs to process sequential data and design a relaxation representation for vector outlines, markedly improving the model's capability and stability of synthesizing long and complex outlines. Second, we propose to sample auxiliary points in addition to control points to precisely align the generated and target B\'ezier curves or lines. Finally, to alleviate error accumulation in the sequential generation process, we develop a context-based self-refinement module based on another Transformer-based decoder to remove artifacts in the initially synthesized glyphs. Both qualitative and quantitative results demonstrate that the proposed method effectively resolves those intrinsic problems of the original DeepVecFont and outperforms existing approaches in generating English and Chinese vector fonts with complicated structures and diverse styles.

Following the success of Word2Vec embeddings, graph embeddings (GEs) have gained substantial traction. GEs are commonly generated and evaluated extrinsically on downstream applications, but intrinsic evaluations of the original graph properties in terms of topological structure and semantic information have been lacking. Understanding these will help identify the deficiency of the various families of GE methods when vectorizing graphs in terms of preserving the relevant knowledge or learning incorrect knowledge. To address this, we propose RESTORE, a framework for intrinsic GEs assessment through graph reconstruction. We show that reconstructing the original graph from the underlying GEs yields insights into the relative amount of information preserved in a given vector form. We first introduce the graph reconstruction task. We generate GEs from three GE families based on factorization methods, random walks, and deep learning (with representative algorithms from each family) on the CommonSense Knowledge Graph (CSKG). We analyze their effectiveness in preserving the (a) topological structure of node-level graph reconstruction with an increasing number of hops and (b) semantic information on various word semantic and analogy tests. Our evaluations show deep learning-based GE algorithm (SDNE) is overall better at preserving (a) with a mean average precision (mAP) of 0.54 and 0.35 for 2 and 3-hop reconstruction respectively, while the factorization-based algorithm (HOPE) is better at encapsulating (b) with an average Euclidean distance of 0.14, 0.17, and 0.11 for 1, 2, and 3-hop reconstruction respectively. The modest performance of these GEs leaves room for further research avenues on better graph representation learning.

This study explores the use of Large Language Models (LLMs) for automatic evaluation of knowledge graph (KG) completion models. Historically, validating information in KGs has been a challenging task, requiring large-scale human annotation at prohibitive cost. With the emergence of general-purpose generative AI and LLMs, it is now plausible that human-in-the-loop validation could be replaced by a generative agent. We introduce a framework for consistency and validation when using generative models to validate knowledge graphs. Our framework is based upon recent open-source developments for structural and semantic validation of LLM outputs, and upon flexible approaches to fact checking and verification, supported by the capacity to reference external knowledge sources of any kind. The design is easy to adapt and extend, and can be used to verify any kind of graph-structured data through a combination of model-intrinsic knowledge, user-supplied context, and agents capable of external knowledge retrieval.

Massive molecular simulations of drug-target proteins have been used as a tool to understand disease mechanism and develop therapeutics. This work focuses on learning a generative neural network on a structural ensemble of a drug-target protein, e.g. SARS-CoV-2 Spike protein, obtained from computationally expensive molecular simulations. Model tasks involve characterizing the distinct structural fluctuations of the protein bound to various drug molecules, as well as efficient generation of protein conformations that can serve as an complement of a molecular simulation engine. Specifically, we present a geometric autoencoder framework to learn separate latent space encodings of the intrinsic and extrinsic geometries of the protein structure. For this purpose, the proposed Protein Geometric AutoEncoder (ProGAE) model is trained on the protein contact map and the orientation of the backbone bonds of the protein. Using ProGAE latent embeddings, we reconstruct and generate the conformational ensemble of a protein at or near the experimental resolution, while gaining better interpretability and controllability in term of protein structure generation from the learned latent space. Additionally, ProGAE models are transferable to a different state of the same protein or to a new protein of different size, where only the dense layer decoding from the latent representation needs to be retrained. Results show that our geometric learning-based method enjoys both accuracy and efficiency for generating complex structural variations, charting the path toward scalable and improved approaches for analyzing and enhancing high-cost simulations of drug-target proteins.

We present APT, an advanced Large Language Model (LLM)-driven framework that enables autonomous agents to construct complex and creative structures within the Minecraft environment. Unlike previous approaches that primarily concentrate on skill-based open-world tasks or rely on image-based diffusion models for generating voxel-based structures, our method leverages the intrinsic spatial reasoning capabilities of LLMs. By employing chain-of-thought decomposition along with multimodal inputs, the framework generates detailed architectural layouts and blueprints that the agent can execute under zero-shot or few-shot learning scenarios. Our agent incorporates both memory and reflection modules to facilitate lifelong learning, adaptive refinement, and error correction throughout the building process. To rigorously evaluate the agent's performance in this emerging research area, we introduce a comprehensive benchmark consisting of diverse construction tasks designed to test creativity, spatial reasoning, adherence to in-game rules, and the effective integration of multimodal instructions. Experimental results using various GPT-based LLM backends and agent configurations demonstrate the agent's capacity to accurately interpret extensive instructions involving numerous items, their positions, and orientations. The agent successfully produces complex structures complete with internal functionalities such as Redstone-powered systems. A/B testing indicates that the inclusion of a memory module leads to a significant increase in performance, emphasizing its role in enabling continuous learning and the reuse of accumulated experience. Additionally, the agent's unexpected emergence of scaffolding behavior highlights the potential of future LLM-driven agents to utilize subroutine planning and leverage the emergence ability of LLMs to autonomously develop human-like problem-solving techniques.

Human motion driven control (HMDC) is an effective approach for generating natural and compelling robot motions while preserving high-level semantics. However, establishing the correspondence between humans and robots with different body structures is not straightforward due to the mismatches in kinematics and dynamics properties, which causes intrinsic ambiguity to the problem. Many previous algorithms approach this motion retargeting problem with unsupervised learning, which requires the prerequisite skill sets. However, it will be extremely costly to learn all the skills without understanding the given human motions, particularly for high-dimensional robots. In this work, we introduce CrossLoco, a guided unsupervised reinforcement learning framework that simultaneously learns robot skills and their correspondence to human motions. Our key innovation is to introduce a cycle-consistency-based reward term designed to maximize the mutual information between human motions and robot states. We demonstrate that the proposed framework can generate compelling robot motions by translating diverse human motions, such as running, hopping, and dancing. We quantitatively compare our CrossLoco against the manually engineered and unsupervised baseline algorithms along with the ablated versions of our framework and demonstrate that our method translates human motions with better accuracy, diversity, and user preference. We also showcase its utility in other applications, such as synthesizing robot movements from language input and enabling interactive robot control.

In this study, we focus on the graph representation learning (a.k.a. network embedding) in attributed graphs. Different from existing embedding methods that treat the incorporation of graph structure and semantic as the simple combination of two optimization objectives, we propose a novel semantic graph representation (SGR) method to formulate the joint optimization of the two heterogeneous sources into a common high-order proximity based framework. Concretely, we first construct an auxiliary weighted graph, where the complex homogeneous and heterogeneous relations among nodes and attributes in the original graph are comprehensively encoded. Conventional embedding methods that consider high-order topology proximities can then be easily applied to the newly constructed graph to learn the representations of both node and attribute while capturing the nonlinear high-order intrinsic correlation inside or among graph structure and semantic. The learned attribute embeddings can also effectively support some semantic-oriented inference tasks (e.g., semantic community detection), helping to reveal the graph's deep semantic. The effectiveness of SGR is further verified on a series of real graphs, where it achieves impressive performance over other baselines.

Recent empirical studies have demonstrated that diffusion models can effectively learn the image distribution and generate new samples. Remarkably, these models can achieve this even with a small number of training samples despite a large image dimension, circumventing the curse of dimensionality. In this work, we provide theoretical insights into this phenomenon by leveraging key empirical observations: (i) the low intrinsic dimensionality of image data, (ii) a union of manifold structure of image data, and (iii) the low-rank property of the denoising autoencoder in trained diffusion models. These observations motivate us to assume the underlying data distribution of image data as a mixture of low-rank Gaussians and to parameterize the denoising autoencoder as a low-rank model according to the score function of the assumed distribution. With these setups, we rigorously show that optimizing the training loss of diffusion models is equivalent to solving the canonical subspace clustering problem over the training samples. Based on this equivalence, we further show that the minimal number of samples required to learn the underlying distribution scales linearly with the intrinsic dimensions under the above data and model assumptions. This insight sheds light on why diffusion models can break the curse of dimensionality and exhibit the phase transition in learning distributions. Moreover, we empirically establish a correspondence between the subspaces and the semantic representations of image data, facilitating image editing. We validate these results with corroborated experimental results on both simulated distributions and image datasets.

Multi-task visual learning is a critical aspect of computer vision. Current research, however, predominantly concentrates on the multi-task dense prediction setting, which overlooks the intrinsic 3D world and its multi-view consistent structures, and lacks the capability for versatile imagination. In response to these limitations, we present a novel problem setting -- multi-task view synthesis (MTVS), which reinterprets multi-task prediction as a set of novel-view synthesis tasks for multiple scene properties, including RGB. To tackle the MTVS problem, we propose MuvieNeRF, a framework that incorporates both multi-task and cross-view knowledge to simultaneously synthesize multiple scene properties. MuvieNeRF integrates two key modules, the Cross-Task Attention (CTA) and Cross-View Attention (CVA) modules, enabling the efficient use of information across multiple views and tasks. Extensive evaluation on both synthetic and realistic benchmarks demonstrates that MuvieNeRF is capable of simultaneously synthesizing different scene properties with promising visual quality, even outperforming conventional discriminative models in various settings. Notably, we show that MuvieNeRF exhibits universal applicability across a range of NeRF backbones. Our code is available at https://github.com/zsh2000/MuvieNeRF.

Vision Transformers have achieved great success in computer visions, delivering exceptional performance across various tasks. However, their inherent reliance on sequential input enforces the manual partitioning of images into patch sequences, which disrupts the image's inherent structural and semantic continuity. To handle this, we propose a novel Pattern Transformer (Patternformer) to adaptively convert images to pattern sequences for Transformer input. Specifically, we employ the Convolutional Neural Network to extract various patterns from the input image, with each channel representing a unique pattern that is fed into the succeeding Transformer as a visual token. By enabling the network to optimize these patterns, each pattern concentrates on its local region of interest, thereby preserving its intrinsic structural and semantic information. Only employing the vanilla ResNet and Transformer, we have accomplished state-of-the-art performance on CIFAR-10 and CIFAR-100, and have achieved competitive results on ImageNet.

Four-dimensional cone-beam computed tomography (4D CBCT) provides respiration-resolved images and can be used for image-guided radiation therapy. However, the ability to reveal respiratory motion comes at the cost of image artifacts. As raw projection data are sorted into multiple respiratory phases, the cone-beam projections become much sparser and the reconstructed 4D CBCT images will be covered by severe streak artifacts. Although several deep learning-based methods have been proposed to address this issue, most algorithms employ 2D network models as backbones, neglecting the intrinsic structural priors within 4D CBCT images. In this paper, we first explore the origin and appearance of streak artifacts in 4D CBCT images. We find that streak artifacts exhibit a unique rotational motion along with the patient's respiration, distinguishable from diaphragm-driven respiratory motion in the spatiotemporal domain. Therefore, we propose a novel 4D neural network model, RSTAR4D-Net, designed to address Rotational STreak Artifact Reduction by integrating the spatial and temporal information within 4D CBCT images. Specifically, we overcome the computational and training difficulties of a 4D neural network. The specially designed model adopts an efficient implementation of 4D convolutions to reduce computational costs and thus can process the whole 4D image in one pass. Additionally, a Tetris training strategy pertinent to the separable 4D convolutions is proposed to effectively train the model using limited 4D training samples. Extensive experiments substantiate the effectiveness of our proposed method, and the RSTAR4D-Net shows superior performance compared to other methods. The source code and dynamic demos are available at https://github.com/ivy9092111111/RSTAR.

Robust 3D perception under corruption has become an essential task for the realm of 3D vision. While current data augmentation techniques usually perform random transformations on all point cloud objects in an offline way and ignore the structure of the samples, resulting in over-or-under enhancement. In this work, we propose an alternative to make sample-adaptive transformations based on the structure of the sample to cope with potential corruption via an auto-augmentation framework, named as AdaptPoint. Specially, we leverage a imitator, consisting of a Deformation Controller and a Mask Controller, respectively in charge of predicting deformation parameters and producing a per-point mask, based on the intrinsic structural information of the input point cloud, and then conduct corruption simulations on top. Then a discriminator is utilized to prevent the generation of excessive corruption that deviates from the original data distribution. In addition, a perception-guidance feedback mechanism is incorporated to guide the generation of samples with appropriate difficulty level. Furthermore, to address the paucity of real-world corrupted point cloud, we also introduce a new dataset ScanObjectNN-C, that exhibits greater similarity to actual data in real-world environments, especially when contrasted with preceding CAD datasets. Experiments show that our method achieves state-of-the-art results on multiple corruption benchmarks, including ModelNet-C, our ScanObjectNN-C, and ShapeNet-C.

Graph representation learning has emerged as a powerful technique for addressing real-world problems. Various downstream graph learning tasks have benefited from its recent developments, such as node classification, similarity search, and graph classification. However, prior arts on graph representation learning focus on domain specific problems and train a dedicated model for each graph dataset, which is usually non-transferable to out-of-domain data. Inspired by the recent advances in pre-training from natural language processing and computer vision, we design Graph Contrastive Coding (GCC) -- a self-supervised graph neural network pre-training framework -- to capture the universal network topological properties across multiple networks. We design GCC's pre-training task as subgraph instance discrimination in and across networks and leverage contrastive learning to empower graph neural networks to learn the intrinsic and transferable structural representations. We conduct extensive experiments on three graph learning tasks and ten graph datasets. The results show that GCC pre-trained on a collection of diverse datasets can achieve competitive or better performance to its task-specific and trained-from-scratch counterparts. This suggests that the pre-training and fine-tuning paradigm presents great potential for graph representation learning.

The manifold hypothesis, which assumes that data lies on or close to an unknown manifold of low intrinsic dimension, is a staple of modern machine learning research. However, recent work has shown that real-world data exhibits distinct non-manifold structures, i.e. singularities, that can lead to erroneous findings. Detecting such singularities is therefore crucial as a precursor to interpolation and inference tasks. We address this issue by developing a topological framework that (i) quantifies the local intrinsic dimension, and (ii) yields a Euclidicity score for assessing the 'manifoldness' of a point along multiple scales. Our approach identifies singularities of complex spaces, while also capturing singular structures and local geometric complexity in image data.

This paper investigates discrepancies in how neural networks learn from different imaging domains, which are commonly overlooked when adopting computer vision techniques from the domain of natural images to other specialized domains such as medical images. Recent works have found that the generalization error of a trained network typically increases with the intrinsic dimension (d_{data}) of its training set. Yet, the steepness of this relationship varies significantly between medical (radiological) and natural imaging domains, with no existing theoretical explanation. We address this gap in knowledge by establishing and empirically validating a generalization scaling law with respect to d_{data}, and propose that the substantial scaling discrepancy between the two considered domains may be at least partially attributed to the higher intrinsic ``label sharpness'' (K_F) of medical imaging datasets, a metric which we propose. Next, we demonstrate an additional benefit of measuring the label sharpness of a training set: it is negatively correlated with the trained model's adversarial robustness, which notably leads to models for medical images having a substantially higher vulnerability to adversarial attack. Finally, we extend our d_{data} formalism to the related metric of learned representation intrinsic dimension (d_{repr}), derive a generalization scaling law with respect to d_{repr}, and show that d_{data} serves as an upper bound for d_{repr}. Our theoretical results are supported by thorough experiments with six models and eleven natural and medical imaging datasets over a range of training set sizes. Our findings offer insights into the influence of intrinsic dataset properties on generalization, representation learning, and robustness in deep neural networks. Code link: https://github.com/mazurowski-lab/intrinsic-properties

We address the problem of aligning real-world 3D data of garments, which benefits many applications such as texture learning, physical parameter estimation, generative modeling of garments, etc. Existing extrinsic methods typically perform non-rigid iterative closest point and struggle to align details due to incorrect closest matches and rigidity constraints. While intrinsic methods based on functional maps can produce high-quality correspondences, they work under isometric assumptions and become unreliable for garment deformations which are highly non-isometric. To achieve wrinkle-level as well as texture-level alignment, we present a novel coarse-to-fine two-stage method that leverages intrinsic manifold properties with two neural deformation fields, in the 3D space and the intrinsic space, respectively. The coarse stage performs a 3D fitting, where we leverage intrinsic manifold properties to define a manifold deformation field. The coarse fitting then induces a functional map that produces an alignment of intrinsic embeddings. We further refine the intrinsic alignment with a second neural deformation field for higher accuracy. We evaluate our method with our captured garment dataset, GarmCap. The method achieves accurate wrinkle-level and texture-level alignment and works for difficult garment types such as long coats. Our project page is https://jsnln.github.io/iccv2023_intrinsic/index.html.

Many recently trained neural networks employ large numbers of parameters to achieve good performance. One may intuitively use the number of parameters required as a rough gauge of the difficulty of a problem. But how accurate are such notions? How many parameters are really needed? In this paper we attempt to answer this question by training networks not in their native parameter space, but instead in a smaller, randomly oriented subspace. We slowly increase the dimension of this subspace, note at which dimension solutions first appear, and define this to be the intrinsic dimension of the objective landscape. The approach is simple to implement, computationally tractable, and produces several suggestive conclusions. Many problems have smaller intrinsic dimensions than one might suspect, and the intrinsic dimension for a given dataset varies little across a family of models with vastly different sizes. This latter result has the profound implication that once a parameter space is large enough to solve a problem, extra parameters serve directly to increase the dimensionality of the solution manifold. Intrinsic dimension allows some quantitative comparison of problem difficulty across supervised, reinforcement, and other types of learning where we conclude, for example, that solving the inverted pendulum problem is 100 times easier than classifying digits from MNIST, and playing Atari Pong from pixels is about as hard as classifying CIFAR-10. In addition to providing new cartography of the objective landscapes wandered by parameterized models, the method is a simple technique for constructively obtaining an upper bound on the minimum description length of a solution. A byproduct of this construction is a simple approach for compressing networks, in some cases by more than 100 times.

Training a unified multilingual model promotes knowledge transfer but inevitably introduces negative interference. Language-specific modeling methods show promise in reducing interference. However, they often rely on heuristics to distribute capacity and struggle to foster cross-lingual transfer via isolated modules. In this paper, we explore intrinsic task modularity within multilingual networks and leverage these observations to circumvent interference under multilingual translation. We show that neurons in the feed-forward layers tend to be activated in a language-specific manner. Meanwhile, these specialized neurons exhibit structural overlaps that reflect language proximity, which progress across layers. Based on these findings, we propose Neuron Specialization, an approach that identifies specialized neurons to modularize feed-forward layers and then continuously updates them through sparse networks. Extensive experiments show that our approach achieves consistent performance gains over strong baselines with additional analyses demonstrating reduced interference and increased knowledge transfer.

Sparse autoencoders have recently produced dictionaries of high-dimensional vectors corresponding to the universe of concepts represented by large language models. We find that this concept universe has interesting structure at three levels: 1) The "atomic" small-scale structure contains "crystals" whose faces are parallelograms or trapezoids, generalizing well-known examples such as (man-woman-king-queen). We find that the quality of such parallelograms and associated function vectors improves greatly when projecting out global distractor directions such as word length, which is efficiently done with linear discriminant analysis. 2) The "brain" intermediate-scale structure has significant spatial modularity; for example, math and code features form a "lobe" akin to functional lobes seen in neural fMRI images. We quantify the spatial locality of these lobes with multiple metrics and find that clusters of co-occurring features, at coarse enough scale, also cluster together spatially far more than one would expect if feature geometry were random. 3) The "galaxy" scale large-scale structure of the feature point cloud is not isotropic, but instead has a power law of eigenvalues with steepest slope in middle layers. We also quantify how the clustering entropy depends on the layer.

Calibrating large-scale camera arrays, such as those in dome-based setups, is time-intensive and typically requires dedicated captures of known patterns. While extrinsics in such arrays are fixed due to the physical setup, intrinsics often vary across sessions due to factors like lens adjustments or temperature changes. In this paper, we propose a dense-feature-driven multi-frame calibration method that refines intrinsics directly from scene data, eliminating the necessity for additional calibration captures. Our approach enhances traditional Structure-from-Motion (SfM) pipelines by introducing an extrinsics regularization term to progressively align estimated extrinsics with ground-truth values, a dense feature reprojection term to reduce keypoint errors by minimizing reprojection loss in the feature space, and an intrinsics variance term for joint optimization across multiple frames. Experiments on the Multiface dataset show that our method achieves nearly the same precision as dedicated calibration processes, and significantly enhances intrinsics and 3D reconstruction accuracy. Fully compatible with existing SfM pipelines, our method provides an efficient and practical plug-and-play solution for large-scale camera setups. Our code is publicly available at: https://github.com/YJJfish/Multi-Cali-Anything

Transformers are widely used to extract semantic meanings from input tokens, yet they usually operate as black-box models. In this paper, we present a simple yet informative decomposition of hidden states (or embeddings) of trained transformers into interpretable components. For any layer, embedding vectors of input sequence samples are represented by a tensor h in R^{C times T times d}. Given embedding vector h_{c,t} in R^d at sequence position t le T in a sequence (or context) c le C, extracting the mean effects yields the decomposition \[ h_{c,t} = \mu + pos_t + ctx_c + resid_{c,t} \] where mu is the global mean vector, pos_t and ctx_c are the mean vectors across contexts and across positions respectively, and resid_{c,t} is the residual vector. For popular transformer architectures and diverse text datasets, empirically we find pervasive mathematical structure: (1) (pos_t)_{t} forms a low-dimensional, continuous, and often spiral shape across layers, (2) (ctx_c)_c shows clear cluster structure that falls into context topics, and (3) (pos_t)_{t} and (ctx_c)_c are mutually nearly orthogonal. We argue that smoothness is pervasive and beneficial to transformers trained on languages, and our decomposition leads to improved model interpretability.

Using a set of LambdaCDM simulations of cosmic structure formation, we study the evolving connectivity and changing topological structure of the cosmic web using state-of-the-art tools of multiscale topological data analysis (TDA). We follow the development of the cosmic web topology in terms of the evolution of Betti number curves and feature persistence diagrams of the three (topological) classes of structural features: matter concentrations, filaments and tunnels, and voids. The Betti curves specify the prominence of features as a function of density level, and their evolution with cosmic epoch reflects the changing network connections between these structural features. The persistence diagrams quantify the longevity and stability of topological features. In this study we establish, for the first time, the link between persistence diagrams, the features they show, and the gravitationally driven cosmic structure formation process. By following the diagrams' development over cosmic time, the link between the multiscale topology of the cosmic web and the hierarchical buildup of cosmic structure is established. The sharp apexes in the diagrams are intimately related to key transitions in the structure formation process. The apex in the matter concentration diagrams coincides with the density level at which, typically, they detach from the Hubble expansion and begin to collapse. At that level many individual islands merge to form the network of the cosmic web and a large number of filaments and tunnels emerge to establish its connecting bridges. The location trends of the apex possess a self-similar character that can be related to the cosmic web's hierarchical buildup. We find that persistence diagrams provide a significantly higher and more profound level of information on the structure formation process than more global summary statistics like Euler characteristic or Betti numbers.

Learning causal structure from observational data often assumes that we observe independent and identically distributed (i.\,i.\,d) data. The traditional approach aims to find a graphical representation that encodes the same set of conditional independence relationships as those present in the observed distribution. It is known that under i.\,i.\,d assumption, even with infinite data, there is a limit to how fine-grained a causal structure we can identify. To overcome this limitation, recent work has explored using data originating from different, related environments to learn richer causal structure. These approaches implicitly rely on the independent causal mechanisms (ICM) principle, which postulates that the mechanism giving rise to an effect given its causes and the mechanism which generates the causes do not inform or influence each other. Thus, components of the causal model can independently change from environment to environment. Despite its wide application in machine learning and causal inference, there is a lack of statistical formalization of the ICM principle and how it enables identification of richer causal structures from grouped data. Here we present new causal de Finetti theorems which offer a first statistical formalization of ICM principle and show how causal structure identification is possible from exchangeable data. Our work provides theoretical justification for a broad range of techniques leveraging multi-environment data to learn causal structure.

Despite significant advances in large-scale text-to-image models, achieving hyper-realistic human image generation remains a desirable yet unsolved task. Existing models like Stable Diffusion and DALL-E 2 tend to generate human images with incoherent parts or unnatural poses. To tackle these challenges, our key insight is that human image is inherently structural over multiple granularities, from the coarse-level body skeleton to fine-grained spatial geometry. Therefore, capturing such correlations between the explicit appearance and latent structure in one model is essential to generate coherent and natural human images. To this end, we propose a unified framework, HyperHuman, that generates in-the-wild human images of high realism and diverse layouts. Specifically, 1) we first build a large-scale human-centric dataset, named HumanVerse, which consists of 340M images with comprehensive annotations like human pose, depth, and surface normal. 2) Next, we propose a Latent Structural Diffusion Model that simultaneously denoises the depth and surface normal along with the synthesized RGB image. Our model enforces the joint learning of image appearance, spatial relationship, and geometry in a unified network, where each branch in the model complements to each other with both structural awareness and textural richness. 3) Finally, to further boost the visual quality, we propose a Structure-Guided Refiner to compose the predicted conditions for more detailed generation of higher resolution. Extensive experiments demonstrate that our framework yields the state-of-the-art performance, generating hyper-realistic human images under diverse scenarios. Project Page: https://snap-research.github.io/HyperHuman/

Autoencoders have been proposed as a powerful tool for model-independent anomaly detection in high-energy physics. The operating principle is that events which do not belong to the space of training data will be reconstructed poorly, thus flagging them as anomalies. We point out that in a variety of examples of interest, the connection between large reconstruction error and anomalies is not so clear. In particular, for data sets with nontrivial topology, there will always be points that erroneously seem anomalous due to global issues. Conversely, neural networks typically have an inductive bias or prior to locally interpolate such that undersampled or rare events may be reconstructed with small error, despite actually being the desired anomalies. Taken together, these facts are in tension with the simple picture of the autoencoder as an anomaly detector. Using a series of illustrative low-dimensional examples, we show explicitly how the intrinsic and extrinsic topology of the dataset affects the behavior of an autoencoder and how this topology is manifested in the latent space representation during training. We ground this analysis in the discussion of a mock "bump hunt" in which the autoencoder fails to identify an anomalous "signal" for reasons tied to the intrinsic topology of n-particle phase space.

Structure information is critical for understanding the semantics of text-rich images, such as documents, tables, and charts. Existing Multimodal Large Language Models (MLLMs) for Visual Document Understanding are equipped with text recognition ability but lack general structure understanding abilities for text-rich document images. In this work, we emphasize the importance of structure information in Visual Document Understanding and propose the Unified Structure Learning to boost the performance of MLLMs. Our Unified Structure Learning comprises structure-aware parsing tasks and multi-grained text localization tasks across 5 domains: document, webpage, table, chart, and natural image. To better encode structure information, we design a simple and effective vision-to-text module H-Reducer, which can not only maintain the layout information but also reduce the length of visual features by merging horizontal adjacent patches through convolution, enabling the LLM to understand high-resolution images more efficiently. Furthermore, by constructing structure-aware text sequences and multi-grained pairs of texts and bounding boxes for publicly available text-rich images, we build a comprehensive training set DocStruct4M to support structure learning. Finally, we construct a small but high-quality reasoning tuning dataset DocReason25K to trigger the detailed explanation ability in the document domain. Our model DocOwl 1.5 achieves state-of-the-art performance on 10 visual document understanding benchmarks, improving the SOTA performance of MLLMs with a 7B LLM by more than 10 points in 5/10 benchmarks. Our codes, models, and datasets are publicly available at https://github.com/X-PLUG/mPLUG-DocOwl/tree/main/DocOwl1.5.

The inference of topological principles is a key problem in structured reconstruction. We observe that wrongly predicted topological relationships are often incurred by the lack of holistic geometry clues in low-level features. Inspired by the fact that massive signals can be compactly described with frequency analysis, we experimentally explore the efficiency and tendency of learning structure geometry in the frequency domain. Accordingly, we propose a frequency-domain feature learning strategy (F-Learn) to fuse scattered geometric fragments holistically for topology-intact structure reasoning. Benefiting from the parsimonious design, the F-Learn strategy can be easily deployed into a deep reconstructor with a lightweight model modification. Experiments demonstrate that the F-Learn strategy can effectively introduce structure awareness into geometric primitive detection and topology inference, bringing significant performance improvement to final structured reconstruction. Code and pre-trained models are available at https://github.com/Geo-Tell/F-Learn.

Generative models trained on internet-scale data are capable of generating novel and realistic texts, images, and videos. A natural next question is whether these models can advance science, for example by generating novel stable materials. Traditionally, models with explicit structures (e.g., graphs) have been used in modeling structural relationships in scientific data (e.g., atoms and bonds in crystals), but generating structures can be difficult to scale to large and complex systems. Another challenge in generating materials is the mismatch between standard generative modeling metrics and downstream applications. For instance, common metrics such as the reconstruction error do not correlate well with the downstream goal of discovering stable materials. In this work, we tackle the scalability challenge by developing a unified crystal representation that can represent any crystal structure (UniMat), followed by training a diffusion probabilistic model on these UniMat representations. Our empirical results suggest that despite the lack of explicit structure modeling, UniMat can generate high fidelity crystal structures from larger and more complex chemical systems, outperforming previous graph-based approaches under various generative modeling metrics. To better connect the generation quality of materials to downstream applications, such as discovering novel stable materials, we propose additional metrics for evaluating generative models of materials, including per-composition formation energy and stability with respect to convex hulls through decomposition energy from Density Function Theory (DFT). Lastly, we show that conditional generation with UniMat can scale to previously established crystal datasets with up to millions of crystals structures, outperforming random structure search (the current leading method for structure discovery) in discovering new stable materials.

Intrinsic imaging or intrinsic image decomposition has traditionally been described as the problem of decomposing an image into two layers: a reflectance, the albedo invariant color of the material; and a shading, produced by the interaction between light and geometry. Deep learning techniques have been broadly applied in recent years to increase the accuracy of those separations. In this survey, we overview those results in context of well-known intrinsic image data sets and relevant metrics used in the literature, discussing their suitability to predict a desirable intrinsic image decomposition. Although the Lambertian assumption is still a foundational basis for many methods, we show that there is increasing awareness on the potential of more sophisticated physically-principled components of the image formation process, that is, optically accurate material models and geometry, and more complete inverse light transport estimations. We classify these methods in terms of the type of decomposition, considering the priors and models used, as well as the learning architecture and methodology driving the decomposition process. We also provide insights about future directions for research, given the recent advances in neural, inverse and differentiable rendering techniques.

We present Manifold Diffusion Fields (MDF), an approach to learn generative models of continuous functions defined over Riemannian manifolds. Leveraging insights from spectral geometry analysis, we define an intrinsic coordinate system on the manifold via the eigen-functions of the Laplace-Beltrami Operator. MDF represents functions using an explicit parametrization formed by a set of multiple input-output pairs. Our approach allows to sample continuous functions on manifolds and is invariant with respect to rigid and isometric transformations of the manifold. Empirical results on several datasets and manifolds show that MDF can capture distributions of such functions with better diversity and fidelity than previous approaches.

Many patterns in nature exhibit self-similarity: they can be compactly described via self-referential transformations. Said patterns commonly appear in natural and artificial objects, such as molecules, shorelines, galaxies and even images. In this work, we investigate the role of learning in the automated discovery of self-similarity and in its utilization for downstream tasks. To this end, we design a novel class of implicit operators, Neural Collages, which (1) represent data as the parameters of a self-referential, structured transformation, and (2) employ hypernetworks to amortize the cost of finding these parameters to a single forward pass. We investigate how to leverage the representations produced by Neural Collages in various tasks, including data compression and generation. Neural Collages image compressors are orders of magnitude faster than other self-similarity-based algorithms during encoding and offer compression rates competitive with implicit methods. Finally, we showcase applications of Neural Collages for fractal art and as deep generative models.

Graph structure learning aims to learn connectivity in a graph from data. It is particularly important for many computer vision related tasks since no explicit graph structure is available for images for most cases. A natural way to construct a graph among images is to treat each image as a node and assign pairwise image similarities as weights to corresponding edges. It is well known that pairwise similarities between images are sensitive to the noise in feature representations, leading to unreliable graph structures. We address this problem from the viewpoint of statistical tests. By viewing the feature vector of each node as an independent sample, the decision of whether creating an edge between two nodes based on their similarity in feature representation can be thought as a {it single} statistical test. To improve the robustness in the decision of creating an edge, multiple samples are drawn and integrated by {it multiple} statistical tests to generate a more reliable similarity measure, consequentially more reliable graph structure. The corresponding elegant matrix form named B-Attention is designed for efficiency. The effectiveness of multiple tests for graph structure learning is verified both theoretically and empirically on multiple clustering and ReID benchmark datasets. Source codes are available at https://github.com/Thomas-wyh/B-Attention.

As Large Language Models become more ubiquitous across domains, it becomes important to examine their inherent limitations critically. This work argues that hallucinations in language models are not just occasional errors but an inevitable feature of these systems. We demonstrate that hallucinations stem from the fundamental mathematical and logical structure of LLMs. It is, therefore, impossible to eliminate them through architectural improvements, dataset enhancements, or fact-checking mechanisms. Our analysis draws on computational theory and Godel's First Incompleteness Theorem, which references the undecidability of problems like the Halting, Emptiness, and Acceptance Problems. We demonstrate that every stage of the LLM process-from training data compilation to fact retrieval, intent classification, and text generation-will have a non-zero probability of producing hallucinations. This work introduces the concept of Structural Hallucination as an intrinsic nature of these systems. By establishing the mathematical certainty of hallucinations, we challenge the prevailing notion that they can be fully mitigated.

Understanding how semantic meaning is encoded in the representation spaces of large language models is a fundamental problem in interpretability. In this paper, we study the two foundational questions in this area. First, how are categorical concepts, such as {'mammal', 'bird', 'reptile', 'fish'}, represented? Second, how are hierarchical relations between concepts encoded? For example, how is the fact that 'dog' is a kind of 'mammal' encoded? We show how to extend the linear representation hypothesis to answer these questions. We find a remarkably simple structure: simple categorical concepts are represented as simplices, hierarchically related concepts are orthogonal in a sense we make precise, and (in consequence) complex concepts are represented as polytopes constructed from direct sums of simplices, reflecting the hierarchical structure. We validate these theoretical results on the Gemma large language model, estimating representations for 957 hierarchically related concepts using data from WordNet.

The ability to computationally generate novel yet physically foldable protein structures could lead to new biological discoveries and new treatments targeting yet incurable diseases. Despite recent advances in protein structure prediction, directly generating diverse, novel protein structures from neural networks remains difficult. In this work, we present a new diffusion-based generative model that designs protein backbone structures via a procedure that mirrors the native folding process. We describe protein backbone structure as a series of consecutive angles capturing the relative orientation of the constituent amino acid residues, and generate new structures by denoising from a random, unfolded state towards a stable folded structure. Not only does this mirror how proteins biologically twist into energetically favorable conformations, the inherent shift and rotational invariance of this representation crucially alleviates the need for complex equivariant networks. We train a denoising diffusion probabilistic model with a simple transformer backbone and demonstrate that our resulting model unconditionally generates highly realistic protein structures with complexity and structural patterns akin to those of naturally-occurring proteins. As a useful resource, we release the first open-source codebase and trained models for protein structure diffusion.

We introduce a new generative model that combines latent diffusion with persistent homology to create 3D shapes with high diversity, with a special emphasis on their topological characteristics. Our method involves representing 3D shapes as implicit fields, then employing persistent homology to extract topological features, including Betti numbers and persistence diagrams. The shape generation process consists of two steps. Initially, we employ a transformer-based autoencoding module to embed the implicit representation of each 3D shape into a set of latent vectors. Subsequently, we navigate through the learned latent space via a diffusion model. By strategically incorporating topological features into the diffusion process, our generative module is able to produce a richer variety of 3D shapes with different topological structures. Furthermore, our framework is flexible, supporting generation tasks constrained by a variety of inputs, including sparse and partial point clouds, as well as sketches. By modifying the persistence diagrams, we can alter the topology of the shapes generated from these input modalities.

Standard clothing asset generation involves creating forward-facing flat-lay garment images displayed on a clear background by extracting clothing information from diverse real-world contexts, which presents significant challenges due to highly standardized sampling distributions and precise structural requirements in the generated images. Existing models have limited spatial perception and often exhibit structural hallucinations in this high-specification generative task. To address this issue, we propose a novel Retrieval-Augmented Generation (RAG) framework, termed RAGDiffusion, to enhance structure determinacy and mitigate hallucinations by assimilating external knowledge from LLM and databases. RAGDiffusion consists of two core processes: (1) Retrieval-based structure aggregation, which employs contrastive learning and a Structure Locally Linear Embedding (SLLE) to derive global structure and spatial landmarks, providing both soft and hard guidance to counteract structural ambiguities; and (2) Omni-level faithful garment generation, which introduces a three-level alignment that ensures fidelity in structural, pattern, and decoding components within the diffusing. Extensive experiments on challenging real-world datasets demonstrate that RAGDiffusion synthesizes structurally and detail-faithful clothing assets with significant performance improvements, representing a pioneering effort in high-specification faithful generation with RAG to confront intrinsic hallucinations and enhance fidelity.

Camera pose estimation is a long-standing computer vision problem that to date often relies on classical methods, such as handcrafted keypoint matching, RANSAC and bundle adjustment. In this paper, we propose to formulate the Structure from Motion (SfM) problem inside a probabilistic diffusion framework, modelling the conditional distribution of camera poses given input images. This novel view of an old problem has several advantages. (i) The nature of the diffusion framework mirrors the iterative procedure of bundle adjustment. (ii) The formulation allows a seamless integration of geometric constraints from epipolar geometry. (iii) It excels in typically difficult scenarios such as sparse views with wide baselines. (iv) The method can predict intrinsics and extrinsics for an arbitrary amount of images. We demonstrate that our method PoseDiffusion significantly improves over the classic SfM pipelines and the learned approaches on two real-world datasets. Finally, it is observed that our method can generalize across datasets without further training. Project page: https://posediffusion.github.io/

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.

We present IntrinsicAvatar, a novel approach to recovering the intrinsic properties of clothed human avatars including geometry, albedo, material, and environment lighting from only monocular videos. Recent advancements in human-based neural rendering have enabled high-quality geometry and appearance reconstruction of clothed humans from just monocular videos. However, these methods bake intrinsic properties such as albedo, material, and environment lighting into a single entangled neural representation. On the other hand, only a handful of works tackle the problem of estimating geometry and disentangled appearance properties of clothed humans from monocular videos. They usually achieve limited quality and disentanglement due to approximations of secondary shading effects via learned MLPs. In this work, we propose to model secondary shading effects explicitly via Monte-Carlo ray tracing. We model the rendering process of clothed humans as a volumetric scattering process, and combine ray tracing with body articulation. Our approach can recover high-quality geometry, albedo, material, and lighting properties of clothed humans from a single monocular video, without requiring supervised pre-training using ground truth materials. Furthermore, since we explicitly model the volumetric scattering process and ray tracing, our model naturally generalizes to novel poses, enabling animation of the reconstructed avatar in novel lighting conditions.

Self-supervised learning has recently gained growing interest in molecular modeling for scientific tasks such as AI-assisted drug discovery. Current studies consider leveraging both 2D and 3D molecular structures for representation learning. However, relying on straightforward alignment strategies that treat each modality separately, these methods fail to exploit the intrinsic correlation between 2D and 3D representations that reflect the underlying structural characteristics of molecules, and only perform coarse-grained molecule-level alignment. To derive fine-grained alignment and promote structural molecule understanding, we introduce an atomic-relation level "blend-then-predict" self-supervised learning approach, MoleBLEND, which first blends atom relations represented by different modalities into one unified relation matrix for joint encoding, then recovers modality-specific information for 2D and 3D structures individually. By treating atom relationships as anchors, MoleBLEND organically aligns and integrates visually dissimilar 2D and 3D modalities of the same molecule at fine-grained atomic level, painting a more comprehensive depiction of each molecule. Extensive experiments show that MoleBLEND achieves state-of-the-art performance across major 2D/3D molecular benchmarks. We further provide theoretical insights from the perspective of mutual-information maximization, demonstrating that our method unifies contrastive, generative (cross-modality prediction) and mask-then-predict (single-modality prediction) objectives into one single cohesive framework.

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.

Magnitude of a finite metric space and the related notion of magnitude functions on metric spaces is an active area of research in algebraic topology. Magnitude originally arose in the context of biology, where it represents the number of effective species in an environment; when applied to a one-parameter family of metric spaces tX with scale parameter t, the magnitude captures much of the underlying geometry of the space. Prior work has mostly focussed on properties of magnitude in a global sense; in this paper we restrict the sets to finite subsets of Euclidean space and investigate its individual components. We give an explicit formula for the corrected inclusion-exclusion principle, and define a quantity associated with each point, called the moment which gives an intrinsic ordering to the points. We exploit this in order to form an algorithm which approximates the convex hull.

A new prior is proposed for learning representations of high-level concepts of the kind we manipulate with language. This prior can be combined with other priors in order to help disentangling abstract factors from each other. It is inspired by cognitive neuroscience theories of consciousness, seen as a bottleneck through which just a few elements, after having been selected by attention from a broader pool, are then broadcast and condition further processing, both in perception and decision-making. The set of recently selected elements one becomes aware of is seen as forming a low-dimensional conscious state. This conscious state is combining the few concepts constituting a conscious thought, i.e., what one is immediately conscious of at a particular moment. We claim that this architectural and information-processing constraint corresponds to assumptions about the joint distribution between high-level concepts. To the extent that these assumptions are generally true (and the form of natural language seems consistent with them), they can form a useful prior for representation learning. A low-dimensional thought or conscious state is analogous to a sentence: it involves only a few variables and yet can make a statement with very high probability of being true. This is consistent with a joint distribution (over high-level concepts) which has the form of a sparse factor graph, i.e., where the dependencies captured by each factor of the factor graph involve only very few variables while creating a strong dip in the overall energy function. The consciousness prior also makes it natural to map conscious states to natural language utterances or to express classical AI knowledge in a form similar to facts and rules, albeit capturing uncertainty as well as efficient search mechanisms implemented by attention mechanisms.

Incorporating modular designs into neural networks demonstrates superior out-of-generalization, learning efficiency, etc. Existing modular neural networks are generally explicit because their modular architectures are pre-defined, and individual modules are expected to implement distinct functions. Conversely, recent works reveal that there exist implicit modular structures in standard pre-trained transformers, namely Emergent Modularity. They indicate that such modular structures exhibit during the early pre-training phase and are totally spontaneous. However, most transformers are still treated as monolithic models with their modular natures underutilized. Therefore, given the excellent properties of explicit modular architecture, we explore whether and how dense pre-trained transformers can benefit from emergent modular structures. To study this question, we construct Emergent Mixture-of-Experts (EMoE). Without introducing additional parameters, EMoE can be seen as the modular counterpart of the original model and can be effortlessly incorporated into downstream tuning. Extensive experiments (we tune 1785 models) on various downstream tasks (vision and language) and models (22M to1.5B) demonstrate that EMoE effectively boosts in-domain and out-of-domain generalization abilities. Further analysis and ablation study suggest that EMoE mitigates negative knowledge transfer and is robust to various configurations. Code is available at https://github.com/qiuzh20/EMoE

Strategies for the generation of periodic discrete structures with identical two-point correlation are developed. Starting from a pair of root structures, which are not related by translation, phase inversion or axis reflections, child structures of arbitrary resolution (i.e., pixel or voxel numbers) and number of phases (i.e., material phases/species) can be generated by means of trivial embedding based phase extension, application of kernels and/or phase coalescence, such that the generated structures inherit the two-point-correlation equivalence. Proofs of the inheritance property are provided by means of the Discrete Fourier Transform theory. A Python 3 implementation of the results is offered by the authors through the Github repository https://github.com/DataAnalyticsEngineering/EQ2PC in order to make the provided results reproducible and useful for all interested readers. Examples for the generation of structures are demonstrated, together with applications in the homogenization theory of periodic media.

Deep image inpainting has made impressive progress with recent advances in image generation and processing algorithms. We claim that the performance of inpainting algorithms can be better judged by the generated structures and textures. Structures refer to the generated object boundary or novel geometric structures within the hole, while texture refers to high-frequency details, especially man-made repeating patterns filled inside the structural regions. We believe that better structures are usually obtained from a coarse-to-fine GAN-based generator network while repeating patterns nowadays can be better modeled using state-of-the-art high-frequency fast fourier convolutional layers. In this paper, we propose a novel inpainting network combining the advantages of the two designs. Therefore, our model achieves a remarkable visual quality to match state-of-the-art performance in both structure generation and repeating texture synthesis using a single network. Extensive experiments demonstrate the effectiveness of the method, and our conclusions further highlight the two critical factors of image inpainting quality, structures, and textures, as the future design directions of inpainting networks.

Recent work has demonstrated that semantics specified by pretraining data influence how representations of different concepts are organized in a large language model (LLM). However, given the open-ended nature of LLMs, e.g., their ability to in-context learn, we can ask whether models alter these pretraining semantics to adopt alternative, context-specified ones. Specifically, if we provide in-context exemplars wherein a concept plays a different role than what the pretraining data suggests, do models reorganize their representations in accordance with these novel semantics? To answer this question, we take inspiration from the theory of conceptual role semantics and define a toy "graph tracing" task wherein the nodes of the graph are referenced via concepts seen during training (e.g., apple, bird, etc.) and the connectivity of the graph is defined via some predefined structure (e.g., a square grid). Given exemplars that indicate traces of random walks on the graph, we analyze intermediate representations of the model and find that as the amount of context is scaled, there is a sudden re-organization from pretrained semantic representations to in-context representations aligned with the graph structure. Further, we find that when reference concepts have correlations in their semantics (e.g., Monday, Tuesday, etc.), the context-specified graph structure is still present in the representations, but is unable to dominate the pretrained structure. To explain these results, we analogize our task to energy minimization for a predefined graph topology, providing evidence towards an implicit optimization process to infer context-specified semantics. Overall, our findings indicate scaling context-size can flexibly re-organize model representations, possibly unlocking novel capabilities.

Complex hierarchical structures composed of simple nanoscale building blocks form the basis of most biological materials. Here we demonstrate how analogies between seemingly different fields enable the understanding of general principles by which functional properties in hierarchical systems emerge, similar to an analogy learning process. Specifically, natural hierarchical materials like spider silk exhibit properties comparable to classical music in terms of their hierarchical structure and function. As a comparative tool here we apply hierarchical ontology logs (olog) that follow a rigorous mathematical formulation based on category theory to provide an insightful system representation by expressing knowledge in a conceptual map. We explain the process of analogy creation, draw connections at several levels of hierarchy and identify similar patterns that govern the structure of the hierarchical systems silk and music and discuss the impact of the derived analogy for nanotechnology.

Modern learning frameworks often train deep neural networks with massive amounts of unlabeled data to learn representations by solving simple pretext tasks, then use the representations as foundations for downstream tasks. These networks are empirically designed; as such, they are usually not interpretable, their representations are not structured, and their designs are potentially redundant. White-box deep networks, in which each layer explicitly identifies and transforms structures in the data, present a promising alternative. However, existing white-box architectures have only been shown to work at scale in supervised settings with labeled data, such as classification. In this work, we provide the first instantiation of the white-box design paradigm that can be applied to large-scale unsupervised representation learning. We do this by exploiting a fundamental connection between diffusion, compression, and (masked) completion, deriving a deep transformer-like masked autoencoder architecture, called CRATE-MAE, in which the role of each layer is mathematically fully interpretable: they transform the data distribution to and from a structured representation. Extensive empirical evaluations confirm our analytical insights. CRATE-MAE demonstrates highly promising performance on large-scale imagery datasets while using only ~30% of the parameters compared to the standard masked autoencoder with the same model configuration. The representations learned by CRATE-MAE have explicit structure and also contain semantic meaning. Code is available at https://github.com/Ma-Lab-Berkeley/CRATE .

In theoretical neuroscience, recent work leverages deep learning tools to explore how some network attributes critically influence its learning dynamics. Notably, initial weight distributions with small (resp. large) variance may yield a rich (resp. lazy) regime, where significant (resp. minor) changes to network states and representation are observed over the course of learning. However, in biology, neural circuit connectivity could exhibit a low-rank structure and therefore differs markedly from the random initializations generally used for these studies. As such, here we investigate how the structure of the initial weights -- in particular their effective rank -- influences the network learning regime. Through both empirical and theoretical analyses, we discover that high-rank initializations typically yield smaller network changes indicative of lazier learning, a finding we also confirm with experimentally-driven initial connectivity in recurrent neural networks. Conversely, low-rank initialization biases learning towards richer learning. Importantly, however, as an exception to this rule, we find lazier learning can still occur with a low-rank initialization that aligns with task and data statistics. Our research highlights the pivotal role of initial weight structures in shaping learning regimes, with implications for metabolic costs of plasticity and risks of catastrophic forgetting.

Discovering the underlying relationships among variables from temporal observations has been a longstanding challenge in numerous scientific disciplines, including biology, finance, and climate science. The dynamics of such systems are often best described using continuous-time stochastic processes. Unfortunately, most existing structure learning approaches assume that the underlying process evolves in discrete-time and/or observations occur at regular time intervals. These mismatched assumptions can often lead to incorrect learned structures and models. In this work, we introduce a novel structure learning method, SCOTCH, which combines neural stochastic differential equations (SDE) with variational inference to infer a posterior distribution over possible structures. This continuous-time approach can naturally handle both learning from and predicting observations at arbitrary time points. Theoretically, we establish sufficient conditions for an SDE and SCOTCH to be structurally identifiable, and prove its consistency under infinite data limits. Empirically, we demonstrate that our approach leads to improved structure learning performance on both synthetic and real-world datasets compared to relevant baselines under regular and irregular sampling intervals.

A standard Variational Autoencoder, with a Euclidean latent space, is structurally incapable of capturing topological properties of certain datasets. To remove topological obstructions, we introduce Diffusion Variational Autoencoders with arbitrary manifolds as a latent space. A Diffusion Variational Autoencoder uses transition kernels of Brownian motion on the manifold. In particular, it uses properties of the Brownian motion to implement the reparametrization trick and fast approximations to the KL divergence. We show that the Diffusion Variational Autoencoder is capable of capturing topological properties of synthetic datasets. Additionally, we train MNIST on spheres, tori, projective spaces, SO(3), and a torus embedded in R3. Although a natural dataset like MNIST does not have latent variables with a clear-cut topological structure, training it on a manifold can still highlight topological and geometrical properties.

We give a conceptual treatment of the notion of joints, marginals, and independence in the setting of categorical probability. This is achieved by endowing the usual probability monads (like the Giry monad) with a monoidal and an opmonoidal structure, mutually compatible (i.e. a bimonoidal structure). If the underlying monoidal category is cartesian monoidal, a bimonoidal structure is given uniquely by a commutative strength. However, if the underlying monoidal category is not cartesian monoidal, a strength is not enough to guarantee all the desired properties of joints and marginals. A bimonoidal structure is then the correct requirement for the more general case. We explain the theory and the operational interpretation, with the help of the graphical calculus for monoidal categories. We give a definition of stochastic independence based on the bimonoidal structure, compatible with the intuition and with other approaches in the literature for cartesian monoidal categories. We then show as an example that the Kantorovich monad on the category of complete metric spaces is a bimonoidal monad for a non-cartesian monoidal structure.

We study the problem of generating temporal object intrinsics -- temporally evolving sequences of object geometry, reflectance, and texture, such as a blooming rose -- from pre-trained 2D foundation models. Unlike conventional 3D modeling and animation techniques that require extensive manual effort and expertise, we introduce a method that generates such assets with signals distilled from pre-trained 2D diffusion models. To ensure the temporal consistency of object intrinsics, we propose Neural Templates for temporal-state-guided distillation, derived automatically from image features from self-supervised learning. Our method can generate high-quality temporal object intrinsics for several natural phenomena and enable the sampling and controllable rendering of these dynamic objects from any viewpoint, under any environmental lighting conditions, at any time of their lifespan. Project website: https://chen-geng.com/rose4d

Vector search systems, pivotal in AI applications, often rely on the Hierarchical Navigable Small Worlds (HNSW) algorithm. However, the behaviour of HNSW under real-world scenarios using vectors generated with deep learning models remains under-explored. Existing Approximate Nearest Neighbours (ANN) benchmarks and research typically has an over-reliance on simplistic datasets like MNIST or SIFT1M and fail to reflect the complexity of current use-cases. Our investigation focuses on HNSW's efficacy across a spectrum of datasets, including synthetic vectors tailored to mimic specific intrinsic dimensionalities, widely-used retrieval benchmarks with popular embedding models, and proprietary e-commerce image data with CLIP models. We survey the most popular HNSW vector databases and collate their default parameters to provide a realistic fixed parameterisation for the duration of the paper. We discover that the recall of approximate HNSW search, in comparison to exact K Nearest Neighbours (KNN) search, is linked to the vector space's intrinsic dimensionality and significantly influenced by the data insertion sequence. Our methodology highlights how insertion order, informed by measurable properties such as the pointwise Local Intrinsic Dimensionality (LID) or known categories, can shift recall by up to 12 percentage points. We also observe that running popular benchmark datasets with HNSW instead of KNN can shift rankings by up to three positions for some models. This work underscores the need for more nuanced benchmarks and design considerations in developing robust vector search systems using approximate vector search algorithms. This study presents a number of scenarios with varying real world applicability which aim to better increase understanding and future development of ANN algorithms and embedding

Clustering aims to group unlabelled samples based on their similarities. It has become a significant tool for the analysis of high-dimensional data. However, most of the clustering methods merely generate pseudo labels and thus are unable to simultaneously present the similarities between different clusters and outliers. This paper proposes a new framework called High-dimensional Clustering onto Hamiltonian Cycle (HCHC) to solve the above problems. First, HCHC combines global structure with local structure in one objective function for deep clustering, improving the labels as relative probabilities, to mine the similarities between different clusters while keeping the local structure in each cluster. Then, the anchors of different clusters are sorted on the optimal Hamiltonian cycle generated by the cluster similarities and mapped on the circumference of a circle. Finally, a sample with a higher probability of a cluster will be mapped closer to the corresponding anchor. In this way, our framework allows us to appreciate three aspects visually and simultaneously - clusters (formed by samples with high probabilities), cluster similarities (represented as circular distances), and outliers (recognized as dots far away from all clusters). The experiments illustrate the superiority of HCHC.

We will revisit the intrinsic differential geometry of the Wasserstein space over a Riemannian manifold, due to a series of papers by Otto, Villani, Lott, Ambrosio, Gigli, Savar\'e and so on.

Retrieving relevant documents from a corpus is typically based on the semantic similarity between the document content and query text. The inclusion of structural relationship between documents can benefit the retrieval mechanism by addressing semantic gaps. However, incorporating these relationships requires tractable mechanisms that balance structure with semantics and take advantage of the prevalent pre-train/fine-tune paradigm. We propose here a holistic approach to learning document representations by integrating intra-document content with inter-document relations. Our deep metric learning solution analyzes the complex neighborhood structure in the relationship network to efficiently sample similar/dissimilar document pairs and defines a novel quintuplet loss function that simultaneously encourages document pairs that are semantically relevant to be closer and structurally unrelated to be far apart in the representation space. Furthermore, the separation margins between the documents are varied flexibly to encode the heterogeneity in relationship strengths. The model is fully fine-tunable and natively supports query projection during inference. We demonstrate that it outperforms competing methods on multiple datasets for document retrieval tasks.

We examine the geometry of neural network training using the Jacobian of trained network parameters with respect to their initial values. Our analysis reveals low-dimensional structure in the training process which is dependent on the input data but largely independent of the labels. We find that the singular value spectrum of the Jacobian matrix consists of three distinctive regions: a "chaotic" region of values orders of magnitude greater than one, a large "bulk" region of values extremely close to one, and a "stable" region of values less than one. Along each bulk direction, the left and right singular vectors are nearly identical, indicating that perturbations to the initialization are carried through training almost unchanged. These perturbations have virtually no effect on the network's output in-distribution, yet do have an effect far out-of-distribution. While the Jacobian applies only locally around a single initialization, we find substantial overlap in bulk subspaces for different random seeds. Our code is available at https://github.com/EleutherAI/training-jacobian

Many clustering schemes are defined by optimizing an objective function defined on the partitions of the underlying set of a finite metric space. In this paper, we construct a framework for studying what happens when we instead impose various structural conditions on the clustering schemes, under the general heading of functoriality. Functoriality refers to the idea that one should be able to compare the results of clustering algorithms as one varies the data set, for example by adding points or by applying functions to it. We show that within this framework, one can prove a theorems analogous to one of J. Kleinberg, in which for example one obtains an existence and uniqueness theorem instead of a non-existence result. We obtain a full classification of all clustering schemes satisfying a condition we refer to as excisiveness. The classification can be changed by varying the notion of maps of finite metric spaces. The conditions occur naturally when one considers clustering as the statistical version of the geometric notion of connected components. By varying the degree of functoriality that one requires from the schemes it is possible to construct richer families of clustering schemes that exhibit sensitivity to density.

As there are now millions of publicly available neural networks, searching and analyzing large model repositories becomes increasingly important. Navigating so many models requires an atlas, but as most models are poorly documented charting such an atlas is challenging. To explore the hidden potential of model repositories, we chart a preliminary atlas representing the documented fraction of Hugging Face. It provides stunning visualizations of the model landscape and evolution. We demonstrate several applications of this atlas including predicting model attributes (e.g., accuracy), and analyzing trends in computer vision models. However, as the current atlas remains incomplete, we propose a method for charting undocumented regions. Specifically, we identify high-confidence structural priors based on dominant real-world model training practices. Leveraging these priors, our approach enables accurate mapping of previously undocumented areas of the atlas. We publicly release our datasets, code, and interactive atlas.

Representational analysis explores how input data of a neural system are encoded in high dimensional spaces of its distributed neural activations, and how we can compare different systems, for instance, artificial neural networks and brains, on those grounds. While existing methods offer important insights, they typically do not account for local intrinsic geometrical properties within the high-dimensional representation spaces. To go beyond these limitations, we explore Ollivier-Ricci curvature and Ricci flow as tools to study the alignment of representations between humans and artificial neural systems on a geometric level. As a proof-of-principle study, we compared the representations of face stimuli between VGG-Face, a human-aligned version of VGG-Face, and corresponding human similarity judgments from a large online study. Using this discrete geometric framework, we were able to identify local structural similarities and differences by examining the distributions of node and edge curvature and higher-level properties by detecting and comparing community structure in the representational graphs.

Image editing using diffusion models has witnessed extremely fast-paced growth recently. There are various ways in which previous works enable controlling and editing images. Some works use high-level conditioning such as text, while others use low-level conditioning. Nevertheless, most of them lack fine-grained control over the properties of the different objects present in the image, i.e. object-level image editing. In this work, we consider an image as a composition of multiple objects, each defined by various properties. Out of these properties, we identify structure and appearance as the most intuitive to understand and useful for editing purposes. We propose Structure-and-Appearance Paired Diffusion model (PAIR-Diffusion), which is trained using structure and appearance information explicitly extracted from the images. The proposed model enables users to inject a reference image's appearance into the input image at both the object and global levels. Additionally, PAIR-Diffusion allows editing the structure while maintaining the style of individual components of the image unchanged. We extensively evaluate our method on LSUN datasets and the CelebA-HQ face dataset, and we demonstrate fine-grained control over both structure and appearance at the object level. We also applied the method to Stable Diffusion to edit any real image at the object level.

We introduce the category of information structures, whose objects are suitable diagrams of measurable sets that encode the possible outputs of a given family of observables and their mutual relationships of refinement; they serve as mathematical models of contextuality in classical and quantum settings. Each information structure can be regarded as a ringed site with trivial topology; the structure ring is generated by the observables themselves and its multiplication corresponds to joint measurement. We extend Baudot and Bennequin's definition of information cohomology to this setting, as a derived functor in the category of modules over the structure ring, and show explicitly that the bar construction gives a projective resolution in that category, recovering in this way the cochain complexes previously considered in the literature. Finally, we study the particular case of a one-parameter family of coefficients made of functions of probability distributions. The only 1-cocycles are Shannon entropy or Tsallis alpha-entropy, depending on the value of the parameter.

Despite the widespread application of latent factor analysis, existing methods suffer from the following weaknesses: requiring the number of factors to be known, lack of theoretical guarantees for learning the model structure, and nonidentifiability of the parameters due to rotation invariance properties of the likelihood. We address these concerns by proposing a fast correlation thresholding (CT) algorithm that simultaneously learns the number of latent factors and a rotationally identifiable model structure. Our novel approach translates this structure learning problem into the search for so-called independent maximal cliques in a thresholded correlation graph that can be easily constructed from the observed data. Our clique analysis technique scales well up to thousands of variables, while competing methods are not applicable in a reasonable amount of running time. We establish a finite-sample error bound and high-dimensional consistency for the structure learning of our method. Through a series of simulation studies and a real data example, we show that the CT algorithm is an accurate method for learning the structure of factor analysis models and is robust to violations of its assumptions.

Object categories are typically organized into a multi-granularity taxonomic hierarchy. When classifying categories at different hierarchy levels, traditional uni-modal approaches focus primarily on image features, revealing limitations in complex scenarios. Recent studies integrating Vision-Language Models (VLMs) with class hierarchies have shown promise, yet they fall short of fully exploiting the hierarchical relationships. These efforts are constrained by their inability to perform effectively across varied granularity of categories. To tackle this issue, we propose a novel framework (HGCLIP) that effectively combines CLIP with a deeper exploitation of the Hierarchical class structure via Graph representation learning. We explore constructing the class hierarchy into a graph, with its nodes representing the textual or image features of each category. After passing through a graph encoder, the textual features incorporate hierarchical structure information, while the image features emphasize class-aware features derived from prototypes through the attention mechanism. Our approach demonstrates significant improvements on 11 diverse visual recognition benchmarks. Our codes are fully available at https://github.com/richard-peng-xia/HGCLIP.

One method for obtaining generalizable solutions to machine learning tasks when presented with diverse training environments is to find invariant representations of the data. These are representations of the covariates such that the best model on top of the representation is invariant across training environments. In the context of linear Structural Equation Models (SEMs), invariant representations might allow us to learn models with out-of-distribution guarantees, i.e., models that are robust to interventions in the SEM. To address the invariant representation problem in a {\em finite sample} setting, we consider the notion of epsilon-approximate invariance. We study the following question: If a representation is approximately invariant with respect to a given number of training interventions, will it continue to be approximately invariant on a larger collection of unseen SEMs? This larger collection of SEMs is generated through a parameterized family of interventions. Inspired by PAC learning, we obtain finite-sample out-of-distribution generalization guarantees for approximate invariance that holds probabilistically over a family of linear SEMs without faithfulness assumptions. Our results show bounds that do not scale in ambient dimension when intervention sites are restricted to lie in a constant size subset of in-degree bounded nodes. We also show how to extend our results to a linear indirect observation model that incorporates latent variables.

A central question for neuroscience is how to characterize brain representations of perceptual and cognitive content. An ideal characterization should distinguish different functional regions with robustness to noise and idiosyncrasies of individual brains that do not correspond to computational differences. Previous studies have characterized brain representations by their representational geometry, which is defined by the representational dissimilarity matrix (RDM), a summary statistic that abstracts from the roles of individual neurons (or responses channels) and characterizes the discriminability of stimuli. Here we explore a further step of abstraction: from the geometry to the topology of brain representations. We propose topological representational similarity analysis (tRSA), an extension of representational similarity analysis (RSA) that uses a family of geo-topological summary statistics that generalizes the RDM to characterize the topology while de-emphasizing the geometry. We evaluate this new family of statistics in terms of the sensitivity and specificity for model selection using both simulations and functional MRI (fMRI) data. In the simulations, the ground truth is a data-generating layer representation in a neural network model and the models are the same and other layers in different model instances (trained from different random seeds). In fMRI, the ground truth is a visual area and the models are the same and other areas measured in different subjects. Results show that topology-sensitive characterizations of population codes are robust to noise and interindividual variability and maintain excellent sensitivity to the unique representational signatures of different neural network layers and brain regions.

Neural networks embed the geometric structure of a data manifold lying in a high-dimensional space into latent representations. Ideally, the distribution of the data points in the latent space should depend only on the task, the data, the loss, and other architecture-specific constraints. However, factors such as the random weights initialization, training hyperparameters, or other sources of randomness in the training phase may induce incoherent latent spaces that hinder any form of reuse. Nevertheless, we empirically observe that, under the same data and modeling choices, the angles between the encodings within distinct latent spaces do not change. In this work, we propose the latent similarity between each sample and a fixed set of anchors as an alternative data representation, demonstrating that it can enforce the desired invariances without any additional training. We show how neural architectures can leverage these relative representations to guarantee, in practice, invariance to latent isometries and rescalings, effectively enabling latent space communication: from zero-shot model stitching to latent space comparison between diverse settings. We extensively validate the generalization capability of our approach on different datasets, spanning various modalities (images, text, graphs), tasks (e.g., classification, reconstruction) and architectures (e.g., CNNs, GCNs, transformers).

Image inpainting has made significant advances in recent years. However, it is still challenging to recover corrupted images with both vivid textures and reasonable structures. Some specific methods only tackle regular textures while losing holistic structures due to the limited receptive fields of convolutional neural networks (CNNs). On the other hand, attention-based models can learn better long-range dependency for the structure recovery, but they are limited by the heavy computation for inference with large image sizes. To address these issues, we propose to leverage an additional structure restorer to facilitate the image inpainting incrementally. The proposed model restores holistic image structures with a powerful attention-based transformer model in a fixed low-resolution sketch space. Such a grayscale space is easy to be upsampled to larger scales to convey correct structural information. Our structure restorer can be integrated with other pretrained inpainting models efficiently with the zero-initialized residual addition. Furthermore, a masking positional encoding strategy is utilized to improve the performance with large irregular masks. Extensive experiments on various datasets validate the efficacy of our model compared with other competitors. Our codes are released in https://github.com/DQiaole/ZITS_inpainting.

Objects undergo varying amounts of perspective distortion as they move across a camera's field of view. Models for predicting 3D from a single image often work with crops around the object of interest and ignore the location of the object in the camera's field of view. We note that ignoring this location information further exaggerates the inherent ambiguity in making 3D inferences from 2D images and can prevent models from even fitting to the training data. To mitigate this ambiguity, we propose Intrinsics-Aware Positional Encoding (KPE), which incorporates information about the location of crops in the image and camera intrinsics. Experiments on three popular 3D-from-a-single-image benchmarks: depth prediction on NYU, 3D object detection on KITTI & nuScenes, and predicting 3D shapes of articulated objects on ARCTIC, show the benefits of KPE.

Informally, the 'linear representation hypothesis' is the idea that high-level concepts are represented linearly as directions in some representation space. In this paper, we address two closely related questions: What does "linear representation" actually mean? And, how do we make sense of geometric notions (e.g., cosine similarity or projection) in the representation space? To answer these, we use the language of counterfactuals to give two formalizations of "linear representation", one in the output (word) representation space, and one in the input (sentence) space. We then prove these connect to linear probing and model steering, respectively. To make sense of geometric notions, we use the formalization to identify a particular (non-Euclidean) inner product that respects language structure in a sense we make precise. Using this causal inner product, we show how to unify all notions of linear representation. In particular, this allows the construction of probes and steering vectors using counterfactual pairs. Experiments with LLaMA-2 demonstrate the existence of linear representations of concepts, the connection to interpretation and control, and the fundamental role of the choice of inner product.

While the successes of transformers across many domains are indisputable, accurate understanding of the learning mechanics is still largely lacking. Their capabilities have been probed on benchmarks which include a variety of structured and reasoning tasks -- but mathematical understanding is lagging substantially behind. Recent lines of work have begun studying representational aspects of this question: that is, the size/depth/complexity of attention-based networks to perform certain tasks. However, there is no guarantee the learning dynamics will converge to the constructions proposed. In our paper, we provide fine-grained mechanistic understanding of how transformers learn "semantic structure", understood as capturing co-occurrence structure of words. Precisely, we show, through a combination of experiments on synthetic data modeled by Latent Dirichlet Allocation (LDA), Wikipedia data, and mathematical analysis that the embedding layer and the self-attention layer encode the topical structure. In the former case, this manifests as higher average inner product of embeddings between same-topic words. In the latter, it manifests as higher average pairwise attention between same-topic words. The mathematical results involve several assumptions to make the analysis tractable, which we verify on data, and might be of independent interest as well.

Deep neural networks can approximate functions on different types of data, from images to graphs, with varied underlying structure. This underlying structure can be viewed as the geometry of the data manifold. By extending recent advances in the theoretical understanding of neural networks, we study how a randomly initialized neural network with piece-wise linear activation splits the data manifold into regions where the neural network behaves as a linear function. We derive bounds on the density of boundary of linear regions and the distance to these boundaries on the data manifold. This leads to insights into the expressivity of randomly initialized deep neural networks on non-Euclidean data sets. We empirically corroborate our theoretical results using a toy supervised learning problem. Our experiments demonstrate that number of linear regions varies across manifolds and the results hold with changing neural network architectures. We further demonstrate how the complexity of linear regions is different on the low dimensional manifold of images as compared to the Euclidean space, using the MetFaces dataset.

We formalize and study a phenomenon called feature collapse that makes precise the intuitive idea that entities playing a similar role in a learning task receive similar representations. As feature collapse requires a notion of task, we leverage a simple but prototypical NLP task to study it. We start by showing experimentally that feature collapse goes hand in hand with generalization. We then prove that, in the large sample limit, distinct words that play identical roles in this NLP task receive identical local feature representations in a neural network. This analysis reveals the crucial role that normalization mechanisms, such as LayerNorm, play in feature collapse and in generalization.

Structured variational autoencoders (SVAEs) combine probabilistic graphical model priors on latent variables, deep neural networks to link latent variables to observed data, and structure-exploiting algorithms for approximate posterior inference. These models are particularly appealing for sequential data, where the prior can capture temporal dependencies. However, despite their conceptual elegance, SVAEs have proven difficult to implement, and more general approaches have been favored in practice. Here, we revisit SVAEs using modern machine learning tools and demonstrate their advantages over more general alternatives in terms of both accuracy and efficiency. First, we develop a modern implementation for hardware acceleration, parallelization, and automatic differentiation of the message passing algorithms at the core of the SVAE. Second, we show that by exploiting structure in the prior, the SVAE learns more accurate models and posterior distributions, which translate into improved performance on prediction tasks. Third, we show how the SVAE can naturally handle missing data, and we leverage this ability to develop a novel, self-supervised training approach. Altogether, these results show that the time is ripe to revisit structured variational autoencoders.

Generating the periodic structure of stable materials is a long-standing challenge for the material design community. This task is difficult because stable materials only exist in a low-dimensional subspace of all possible periodic arrangements of atoms: 1) the coordinates must lie in the local energy minimum defined by quantum mechanics, and 2) global stability also requires the structure to follow the complex, yet specific bonding preferences between different atom types. Existing methods fail to incorporate these factors and often lack proper invariances. We propose a Crystal Diffusion Variational Autoencoder (CDVAE) that captures the physical inductive bias of material stability. By learning from the data distribution of stable materials, the decoder generates materials in a diffusion process that moves atomic coordinates towards a lower energy state and updates atom types to satisfy bonding preferences between neighbors. Our model also explicitly encodes interactions across periodic boundaries and respects permutation, translation, rotation, and periodic invariances. We significantly outperform past methods in three tasks: 1) reconstructing the input structure, 2) generating valid, diverse, and realistic materials, and 3) generating materials that optimize a specific property. We also provide several standard datasets and evaluation metrics for the broader machine learning community.

We propose a new technique, Singular Vector Canonical Correlation Analysis (SVCCA), a tool for quickly comparing two representations in a way that is both invariant to affine transform (allowing comparison between different layers and networks) and fast to compute (allowing more comparisons to be calculated than with previous methods). We deploy this tool to measure the intrinsic dimensionality of layers, showing in some cases needless over-parameterization; to probe learning dynamics throughout training, finding that networks converge to final representations from the bottom up; to show where class-specific information in networks is formed; and to suggest new training regimes that simultaneously save computation and overfit less. Code: https://github.com/google/svcca/

What sorts of structure might enable a learner to discover classes from unlabeled data? Traditional approaches rely on feature-space similarity and heroic assumptions on the data. In this paper, we introduce unsupervised learning under Latent Label Shift (LLS), where we have access to unlabeled data from multiple domains such that the label marginals p_d(y) can shift across domains but the class conditionals p(x|y) do not. This work instantiates a new principle for identifying classes: elements that shift together group together. For finite input spaces, we establish an isomorphism between LLS and topic modeling: inputs correspond to words, domains to documents, and labels to topics. Addressing continuous data, we prove that when each label's support contains a separable region, analogous to an anchor word, oracle access to p(d|x) suffices to identify p_d(y) and p_d(y|x) up to permutation. Thus motivated, we introduce a practical algorithm that leverages domain-discriminative models as follows: (i) push examples through domain discriminator p(d|x); (ii) discretize the data by clustering examples in p(d|x) space; (iii) perform non-negative matrix factorization on the discrete data; (iv) combine the recovered p(y|d) with the discriminator outputs p(d|x) to compute p_d(y|x) ; forall d. With semi-synthetic experiments, we show that our algorithm can leverage domain information to improve upon competitive unsupervised classification methods. We reveal a failure mode of standard unsupervised classification methods when feature-space similarity does not indicate true groupings, and show empirically that our method better handles this case. Our results establish a deep connection between distribution shift and topic modeling, opening promising lines for future work.

Exploration in environments which differ across episodes has received increasing attention in recent years. Current methods use some combination of global novelty bonuses, computed using the agent's entire training experience, and episodic novelty bonuses, computed using only experience from the current episode. However, the use of these two types of bonuses has been ad-hoc and poorly understood. In this work, we shed light on the behavior of these two types of bonuses through controlled experiments on easily interpretable tasks as well as challenging pixel-based settings. We find that the two types of bonuses succeed in different settings, with episodic bonuses being most effective when there is little shared structure across episodes and global bonuses being effective when more structure is shared. We develop a conceptual framework which makes this notion of shared structure precise by considering the variance of the value function across contexts, and which provides a unifying explanation of our empirical results. We furthermore find that combining the two bonuses can lead to more robust performance across different degrees of shared structure, and investigate different algorithmic choices for defining and combining global and episodic bonuses based on function approximation. This results in an algorithm which sets a new state of the art across 16 tasks from the MiniHack suite used in prior work, and also performs robustly on Habitat and Montezuma's Revenge.

Deep neural networks have been demonstrated to achieve phenomenal success in many domains, and yet their inner mechanisms are not well understood. In this paper, we investigate the curvature of image manifolds, i.e., the manifold deviation from being flat in its principal directions. We find that state-of-the-art trained convolutional neural networks for image classification have a characteristic curvature profile along layers: an initial steep increase, followed by a long phase of a plateau, and followed by another increase. In contrast, this behavior does not appear in untrained networks in which the curvature flattens. We also show that the curvature gap between the last two layers has a strong correlation with the generalization capability of the network. Moreover, we find that the intrinsic dimension of latent codes is not necessarily indicative of curvature. Finally, we observe that common regularization methods such as mixup yield flatter representations when compared to other methods. Our experiments show consistent results over a variety of deep learning architectures and multiple data sets. Our code is publicly available at https://github.com/azencot-group/CRLM

Over the past decade, machine learning has revolutionized computers' ability to analyze text through flexible computational models. Due to their structural similarity to written language, transformer-based architectures have also shown promise as tools to make sense of a range of multi-variate sequences from protein-structures, music, electronic health records to weather-forecasts. We can also represent human lives in a way that shares this structural similarity to language. From one perspective, lives are simply sequences of events: People are born, visit the pediatrician, start school, move to a new location, get married, and so on. Here, we exploit this similarity to adapt innovations from natural language processing to examine the evolution and predictability of human lives based on detailed event sequences. We do this by drawing on arguably the most comprehensive registry data in existence, available for an entire nation of more than six million individuals across decades. Our data include information about life-events related to health, education, occupation, income, address, and working hours, recorded with day-to-day resolution. We create embeddings of life-events in a single vector space showing that this embedding space is robust and highly structured. Our models allow us to predict diverse outcomes ranging from early mortality to personality nuances, outperforming state-of-the-art models by a wide margin. Using methods for interpreting deep learning models, we probe the algorithm to understand the factors that enable our predictions. Our framework allows researchers to identify new potential mechanisms that impact life outcomes and associated possibilities for personalized interventions.

We propose a novel approach for preserving topological structures of the input space in latent representations of autoencoders. Using persistent homology, a technique from topological data analysis, we calculate topological signatures of both the input and latent space to derive a topological loss term. Under weak theoretical assumptions, we construct this loss in a differentiable manner, such that the encoding learns to retain multi-scale connectivity information. We show that our approach is theoretically well-founded and that it exhibits favourable latent representations on a synthetic manifold as well as on real-world image data sets, while preserving low reconstruction errors.

Network embedding, which maps graphs to distributed representations, is a unified framework for various graph inference tasks. According to the topology properties (e.g., structural roles and community memberships of nodes) to be preserved, it can be categorized into the identity and position embedding. However, existing methods can only capture one type of property. Some approaches can support the inductive inference that generalizes the embedding model to new nodes or graphs but relies on the availability of attributes. Due to the complicated correlations between topology and attributes, it is unclear for some inductive methods which type of property they can capture. In this study, we explore a unified framework for the joint inductive inference of identity and position embeddings without attributes. An inductive random walk embedding (IRWE) method is proposed, which combines multiple attention units to handle the random walk on graph topology and simultaneously derives identity and position embeddings that are jointly optimized. In particular, we demonstrate that some random walk statistics can be informative features to characterize node identities and positions while supporting the inductive embedding inference. Experiments validate the superior performance of IRWE beyond various baselines for the transductive and inductive inference of identity and position embeddings.

While recent generative models can produce engaging music, their utility is limited. The variation in the music is often left to chance, resulting in compositions that lack structure. Pieces extending beyond a minute can become incoherent or repetitive. This paper introduces an approach for generating structured, arbitrarily long musical pieces. Central to this approach is the creation of musical segments using a conditional generative model, with transitions between these segments. The generation of prompts that determine the high-level composition is distinct from the creation of finer, lower-level details. A large language model is then used to suggest the musical form.

We investigate the construction of latent spaces through self-supervised learning to support semantically meaningful operations. Analogous to operational amplifiers, these "operational latent spaces" (OpLaS) not only demonstrate semantic structure such as clustering but also support common transformational operations with inherent semantic meaning. Some operational latent spaces are found to have arisen "unintentionally" in the progress toward some (other) self-supervised learning objective, in which unintended but still useful properties are discovered among the relationships of points in the space. Other spaces may be constructed "intentionally" by developers stipulating certain kinds of clustering or transformations intended to produce the desired structure. We focus on the intentional creation of operational latent spaces via self-supervised learning, including the introduction of rotation operators via a novel "FiLMR" layer, which can be used to enable ring-like symmetries found in some musical constructions.

Many complex tasks can be decomposed into simpler, independent parts. Discovering such underlying compositional structure has the potential to enable compositional generalization. Despite progress, our most powerful systems struggle to compose flexibly. It therefore seems natural to make models more modular to help capture the compositional nature of many tasks. However, it is unclear under which circumstances modular systems can discover hidden compositional structure. To shed light on this question, we study a teacher-student setting with a modular teacher where we have full control over the composition of ground truth modules. This allows us to relate the problem of compositional generalization to that of identification of the underlying modules. In particular we study modularity in hypernetworks representing a general class of multiplicative interactions. We show theoretically that identification up to linear transformation purely from demonstrations is possible without having to learn an exponential number of module combinations. We further demonstrate empirically that under the theoretically identified conditions, meta-learning from finite data can discover modular policies that generalize compositionally in a number of complex environments.

Humans effortlessly interpret images by parsing them into part-whole hierarchies; deep learning excels in learning multi-level feature spaces, but they often lack explicit coding of part-whole relations, a prominent property of medical imaging. To overcome this limitation, we introduce Adam-v2, a new self-supervised learning framework extending Adam [79] by explicitly incorporating part-whole hierarchies into its learning objectives through three key branches: (1) Localizability, acquiring discriminative representations to distinguish different anatomical patterns; (2) Composability, learning each anatomical structure in a parts-to-whole manner; and (3) Decomposability, comprehending each anatomical structure in a whole-to-parts manner. Experimental results across 10 tasks, compared to 11 baselines in zero-shot, few-shot transfer, and full fine-tuning settings, showcase Adam-v2's superior performance over large-scale medical models and existing SSL methods across diverse downstream tasks. The higher generality and robustness of Adam-v2's representations originate from its explicit construction of hierarchies for distinct anatomical structures from unlabeled medical images. Adam-v2 preserves a semantic balance of anatomical diversity and harmony in its embedding, yielding representations that are both generic and semantically meaningful, yet overlooked in existing SSL methods. All code and pretrained models are available at https://github.com/JLiangLab/Eden.

With infinitely many high-quality data points, infinite computational power, an infinitely large foundation model with a perfect training algorithm and guaranteed zero generalization error on the pretext task, can the model be used for everything? This question cannot be answered by the existing theory of representation, optimization or generalization, because the issues they mainly investigate are assumed to be nonexistent here. In this paper, we show that category theory provides powerful machinery to answer this question. We have proved three results. The first one limits the power of prompt-based learning, saying that the model can solve a downstream task with prompts if and only if the task is representable. The second one says fine tuning does not have this limit, as a foundation model with the minimum required power (up to symmetry) can theoretically solve downstream tasks for the category defined by pretext task, with fine tuning and enough resources. Our final result can be seen as a new type of generalization theorem, showing that the foundation model can generate unseen objects from the target category (e.g., images) using the structural information from the source category (e.g., texts). Along the way, we provide a categorical framework for supervised and self-supervised learning, which might be of independent interest.

Non-exemplar class-incremental learning is to recognize both the old and new classes when old class samples cannot be saved. It is a challenging task since representation optimization and feature retention can only be achieved under supervision from new classes. To address this problem, we propose a novel self-sustaining representation expansion scheme. Our scheme consists of a structure reorganization strategy that fuses main-branch expansion and side-branch updating to maintain the old features, and a main-branch distillation scheme to transfer the invariant knowledge. Furthermore, a prototype selection mechanism is proposed to enhance the discrimination between the old and new classes by selectively incorporating new samples into the distillation process. Extensive experiments on three benchmarks demonstrate significant incremental performance, outperforming the state-of-the-art methods by a margin of 3%, 3% and 6%, respectively.

Currently, high-dimensional data is ubiquitous in data science, which necessitates the development of techniques to decompose and interpret such multidimensional (aka tensor) datasets. Finding a low dimensional representation of the data, that is, its inherent structure, is one of the approaches that can serve to understand the dynamics of low dimensional latent features hidden in the data. Nonnegative RESCAL is one such technique, particularly well suited to analyze self-relational data, such as dynamic networks found in international trade flows. Nonnegative RESCAL computes a low dimensional tensor representation by finding the latent space containing multiple modalities. Estimating the dimensionality of this latent space is crucial for extracting meaningful latent features. Here, to determine the dimensionality of the latent space with nonnegative RESCAL, we propose a latent dimension determination method which is based on clustering of the solutions of multiple realizations of nonnegative RESCAL decompositions. We demonstrate the performance of our model selection method on synthetic data and then we apply our method to decompose a network of international trade flows data from International Monetary Fund and validate the resulting features against empirical facts from economic literature.

Proteins are complex biomolecules that perform a variety of crucial functions within living organisms. Designing and generating novel proteins can pave the way for many future synthetic biology applications, including drug discovery. However, it remains a challenging computational task due to the large modeling space of protein structures. In this study, we propose a latent diffusion model that can reduce the complexity of protein modeling while flexibly capturing the distribution of natural protein structures in a condensed latent space. Specifically, we propose an equivariant protein autoencoder that embeds proteins into a latent space and then uses an equivariant diffusion model to learn the distribution of the latent protein representations. Experimental results demonstrate that our method can effectively generate novel protein backbone structures with high designability and efficiency.

Partial correlations quantify linear association between two variables adjusting for the influence of the remaining variables. They form the backbone for graphical models and are readily obtained from the inverse of the covariance matrix. For compositional data, the covariance structure is specified from log ratios of variables, so unless we try to "open" the data via a normalization, this implies changes in the definition and interpretation of partial correlations. In the present work, we elucidate how results derived by Aitchison (1986) lead to a natural definition of partial correlation that has a number of advantages over current measures of association. For this, we show that the residuals of log-ratios between a variable with a reference, when adjusting for all remaining variables including the reference, are reference-independent. Since the reference itself can be controlled for, correlations between residuals are defined for the variables directly without the necessity to recur to ratios except when specifying which variables are partialled out. Thus, perhaps surprisingly, partial correlations do not have the problems commonly found with measures of pairwise association on compositional data. They are well-defined between two variables, are properly scaled, and allow for negative association. By design, they are subcompositionally incoherent, but they share this property with conventional partial correlations (where results change when adjusting for the influence of fewer variables). We discuss the equivalence with normalization-based approaches whenever the normalizing variables are controlled for. We also discuss the partial variances and correlations we obtain from a previously studied data set of Roman glass cups.

Crystal structures are characterized by atomic bases within a primitive unit cell that repeats along a regular lattice throughout 3D space. The periodic and infinite nature of crystals poses unique challenges for geometric graph representation learning. Specifically, constructing graphs that effectively capture the complete geometric information of crystals and handle chiral crystals remains an unsolved and challenging problem. In this paper, we introduce a novel approach that utilizes the periodic patterns of unit cells to establish the lattice-based representation for each atom, enabling efficient and expressive graph representations of crystals. Furthermore, we propose ComFormer, a SE(3) transformer designed specifically for crystalline materials. ComFormer includes two variants; namely, iComFormer that employs invariant geometric descriptors of Euclidean distances and angles, and eComFormer that utilizes equivariant vector representations. Experimental results demonstrate the state-of-the-art predictive accuracy of ComFormer variants on various tasks across three widely-used crystal benchmarks. Our code is publicly available as part of the AIRS library (https://github.com/divelab/AIRS).

Disentangling the factors of variation in data is a fundamental concept in machine learning and has been studied in various ways by different researchers, leading to a multitude of definitions. Despite the numerous empirical studies, more theoretical research is needed to fully understand the defining properties of disentanglement and how different definitions relate to each other. This paper presents a meta-analysis of existing definitions of disentanglement, using category theory as a unifying and rigorous framework. We propose that the concepts of the cartesian and monoidal products should serve as the core of disentanglement. With these core concepts, we show the similarities and crucial differences in dealing with (i) functions, (ii) equivariant maps, (iii) relations, and (iv) stochastic maps. Overall, our meta-analysis deepens our understanding of disentanglement and its various formulations and can help researchers navigate different definitions and choose the most appropriate one for their specific context.

Model pre-training is essential in human-centric perception. In this paper, we first introduce masked image modeling (MIM) as a pre-training approach for this task. Upon revisiting the MIM training strategy, we reveal that human structure priors offer significant potential. Motivated by this insight, we further incorporate an intuitive human structure prior - human parts - into pre-training. Specifically, we employ this prior to guide the mask sampling process. Image patches, corresponding to human part regions, have high priority to be masked out. This encourages the model to concentrate more on body structure information during pre-training, yielding substantial benefits across a range of human-centric perception tasks. To further capture human characteristics, we propose a structure-invariant alignment loss that enforces different masked views, guided by the human part prior, to be closely aligned for the same image. We term the entire method as HAP. HAP simply uses a plain ViT as the encoder yet establishes new state-of-the-art performance on 11 human-centric benchmarks, and on-par result on one dataset. For example, HAP achieves 78.1% mAP on MSMT17 for person re-identification, 86.54% mA on PA-100K for pedestrian attribute recognition, 78.2% AP on MS COCO for 2D pose estimation, and 56.0 PA-MPJPE on 3DPW for 3D pose and shape estimation.

In this paper, we propose the Hierarchical Document Transformer (HDT), a novel sparse Transformer architecture tailored for structured hierarchical documents. Such documents are extremely important in numerous domains, including science, law or medicine. However, most existing solutions are inefficient and fail to make use of the structure inherent to documents. HDT exploits document structure by introducing auxiliary anchor tokens and redesigning the attention mechanism into a sparse multi-level hierarchy. This approach facilitates information exchange between tokens at different levels while maintaining sparsity, thereby enhancing computational and memory efficiency while exploiting the document structure as an inductive bias. We address the technical challenge of implementing HDT's sample-dependent hierarchical attention pattern by developing a novel sparse attention kernel that considers the hierarchical structure of documents. As demonstrated by our experiments, utilizing structural information present in documents leads to faster convergence, higher sample efficiency and better performance on downstream tasks.

The success of deep neural networks for pan-sharpening is commonly in a form of black box, lacking transparency and interpretability. To alleviate this issue, we propose a novel model-driven deep unfolding framework with image reasoning prior tailored for the pan-sharpening task. Different from existing unfolding solutions that deliver the proximal operator networks as the uncertain and vague priors, our framework is motivated by the content reasoning ability of masked autoencoders (MAE) with insightful designs. Specifically, the pre-trained MAE with spatial masking strategy, acting as intrinsic reasoning prior, is embedded into unfolding architecture. Meanwhile, the pre-trained MAE with spatial-spectral masking strategy is treated as the regularization term within loss function to constrain the spatial-spectral consistency. Such designs penetrate the image reasoning prior into deep unfolding networks while improving its interpretability and representation capability. The uniqueness of our framework is that the holistic learning process is explicitly integrated with the inherent physical mechanism underlying the pan-sharpening task. Extensive experiments on multiple satellite datasets demonstrate the superiority of our method over the existing state-of-the-art approaches. Code will be released at https://manman1995.github.io/.

3D characters are essential to modern creative industries, but making them animatable often demands extensive manual work in tasks like rigging and skinning. Existing automatic rigging tools face several limitations, including the necessity for manual annotations, rigid skeleton topologies, and limited generalization across diverse shapes and poses. An alternative approach is to generate animatable avatars pre-bound to a rigged template mesh. However, this method often lacks flexibility and is typically limited to realistic human shapes. To address these issues, we present Make-It-Animatable, a novel data-driven method to make any 3D humanoid model ready for character animation in less than one second, regardless of its shapes and poses. Our unified framework generates high-quality blend weights, bones, and pose transformations. By incorporating a particle-based shape autoencoder, our approach supports various 3D representations, including meshes and 3D Gaussian splats. Additionally, we employ a coarse-to-fine representation and a structure-aware modeling strategy to ensure both accuracy and robustness, even for characters with non-standard skeleton structures. We conducted extensive experiments to validate our framework's effectiveness. Compared to existing methods, our approach demonstrates significant improvements in both quality and speed.

Although the preservation of shape continuity and physiological anatomy is a natural assumption in the segmentation of medical images, it is often neglected by deep learning methods that mostly aim for the statistical modeling of input data as pixels rather than interconnected structures. In biological structures, however, organs are not separate entities; for example, in reality, a severed vessel is an indication of an underlying problem, but traditional segmentation models are not designed to strictly enforce the continuity of anatomy, potentially leading to inaccurate medical diagnoses. To address this issue, we propose a graph-based approach that enforces the continuity and connectivity of anatomical topology in medical images. Our method encodes the continuity of shapes as a graph constraint, ensuring that the network's predictions maintain this continuity. We evaluate our method on two public benchmarks on retinal vessel segmentation, showing significant improvements in connectivity metrics compared to traditional methods while getting better or on-par performance on segmentation metrics.

The principle of independent causal mechanisms (ICM) states that generative processes of real world data consist of independent modules which do not influence or inform each other. While this idea has led to fruitful developments in the field of causal inference, it is not widely-known in the NLP community. In this work, we argue that the causal direction of the data collection process bears nontrivial implications that can explain a number of published NLP findings, such as differences in semi-supervised learning (SSL) and domain adaptation (DA) performance across different settings. We categorize common NLP tasks according to their causal direction and empirically assay the validity of the ICM principle for text data using minimum description length. We conduct an extensive meta-analysis of over 100 published SSL and 30 DA studies, and find that the results are consistent with our expectations based on causal insights. This work presents the first attempt to analyze the ICM principle in NLP, and provides constructive suggestions for future modeling choices. Code available at https://github.com/zhijing-jin/icm4nlp

Style transfer is an inventive process designed to create an image that maintains the essence of the original while embracing the visual style of another. Although diffusion models have demonstrated impressive generative power in personalized subject-driven or style-driven applications, existing state-of-the-art methods still encounter difficulties in achieving a seamless balance between content preservation and style enhancement. For example, amplifying the style's influence can often undermine the structural integrity of the content. To address these challenges, we deconstruct the style transfer task into three core elements: 1) Style, focusing on the image's aesthetic characteristics; 2) Spatial Structure, concerning the geometric arrangement and composition of visual elements; and 3) Semantic Content, which captures the conceptual meaning of the image. Guided by these principles, we introduce InstantStyle-Plus, an approach that prioritizes the integrity of the original content while seamlessly integrating the target style. Specifically, our method accomplishes style injection through an efficient, lightweight process, utilizing the cutting-edge InstantStyle framework. To reinforce the content preservation, we initiate the process with an inverted content latent noise and a versatile plug-and-play tile ControlNet for preserving the original image's intrinsic layout. We also incorporate a global semantic adapter to enhance the semantic content's fidelity. To safeguard against the dilution of style information, a style extractor is employed as discriminator for providing supplementary style guidance. Codes will be available at https://github.com/instantX-research/InstantStyle-Plus.

It has been observed that representations learned by distinct neural networks conceal structural similarities when the models are trained under similar inductive biases. From a geometric perspective, identifying the classes of transformations and the related invariances that connect these representations is fundamental to unlocking applications, such as merging, stitching, and reusing different neural modules. However, estimating task-specific transformations a priori can be challenging and expensive due to several factors (e.g., weights initialization, training hyperparameters, or data modality). To this end, we introduce a versatile method to directly incorporate a set of invariances into the representations, constructing a product space of invariant components on top of the latent representations without requiring prior knowledge about the optimal invariance to infuse. We validate our solution on classification and reconstruction tasks, observing consistent latent similarity and downstream performance improvements in a zero-shot stitching setting. The experimental analysis comprises three modalities (vision, text, and graphs), twelve pretrained foundational models, nine benchmarks, and several architectures trained from scratch.

The utility of a learned neural representation depends on how well its geometry supports performance in downstream tasks. This geometry depends on the structure of the inputs, the structure of the target outputs, and the architecture of the network. By studying the learning dynamics of networks with one hidden layer, we discovered that the network's activation function has an unexpectedly strong impact on the representational geometry: Tanh networks tend to learn representations that reflect the structure of the target outputs, while ReLU networks retain more information about the structure of the raw inputs. This difference is consistently observed across a broad class of parameterized tasks in which we modulated the degree of alignment between the geometry of the task inputs and that of the task labels. We analyzed the learning dynamics in weight space and show how the differences between the networks with Tanh and ReLU nonlinearities arise from the asymmetric asymptotic behavior of ReLU, which leads feature neurons to specialize for different regions of input space. By contrast, feature neurons in Tanh networks tend to inherit the task label structure. Consequently, when the target outputs are low dimensional, Tanh networks generate neural representations that are more disentangled than those obtained with a ReLU nonlinearity. Our findings shed light on the interplay between input-output geometry, nonlinearity, and learned representations in neural networks.

Lenses are a well-established structure for modelling bidirectional transformations, such as the interactions between a database and a view of it. Lenses may be symmetric or asymmetric, and may be composed, forming the morphisms of a monoidal category. More recently, the notion of a learner has been proposed: these provide a compositional way of modelling supervised learning algorithms, and again form the morphisms of a monoidal category. In this paper, we show that the two concepts are tightly linked. We show both that there is a faithful, identity-on-objects symmetric monoidal functor embedding a category of asymmetric lenses into the category of learners, and furthermore there is such a functor embedding the category of learners into a category of symmetric lenses.

The topic of stitching images with globally natural structures holds paramount significance. Current methodologies exhibit the ability to preserve local geometric structures, yet fall short in maintaining relationships between these geometric structures. In this paper, we endeavor to safeguard the overall, OBJect-level structures within images based on Global Similarity Prior, while concurrently mitigating distortion and ghosting artifacts with OBJ-GSP. Our approach leverages the Segment Anything Model to extract geometric structures with semantic information, enhancing the algorithm's ability to preserve objects in a manner that aligns more intuitively with human perception. We seek to identify spatial constraints that govern the relationships between various geometric boundaries. Recognizing that multiple geometric boundaries collectively define complete objects, we employ triangular meshes to safeguard not only individual geometric structures but also the overall shapes of objects within the images. Empirical evaluations across multiple image stitching datasets demonstrate that our method establishes a new state-of-the-art benchmark in image stitching. Our implementation and dataset is publicly available at https://github.com/RussRobin/OBJ-GSP .

Molecules are frequently represented as graphs, but the underlying 3D molecular geometry (the locations of the atoms) ultimately determines most molecular properties. However, most molecules are not static and at room temperature adopt a wide variety of geometries or conformations. The resulting distribution on geometries p(x) is known as the Boltzmann distribution, and many molecular properties are expectations computed under this distribution. Generating accurate samples from the Boltzmann distribution is therefore essential for computing these expectations accurately. Traditional sampling-based methods are computationally expensive, and most recent machine learning-based methods have focused on identifying modes in this distribution rather than generating true samples. Generating such samples requires capturing conformational variability, and it has been widely recognized that the majority of conformational variability in molecules arises from rotatable bonds. In this work, we present VonMisesNet, a new graph neural network that captures conformational variability via a variational approximation of rotatable bond torsion angles as a mixture of von Mises distributions. We demonstrate that VonMisesNet can generate conformations for arbitrary molecules in a way that is both physically accurate with respect to the Boltzmann distribution and orders of magnitude faster than existing sampling methods.

We introduce Image2Struct, a benchmark to evaluate vision-language models (VLMs) on extracting structure from images. Our benchmark 1) captures real-world use cases, 2) is fully automatic and does not require human judgment, and 3) is based on a renewable stream of fresh data. In Image2Struct, VLMs are prompted to generate the underlying structure (e.g., LaTeX code or HTML) from an input image (e.g., webpage screenshot). The structure is then rendered to produce an output image (e.g., rendered webpage), which is compared against the input image to produce a similarity score. This round-trip evaluation allows us to quantitatively evaluate VLMs on tasks with multiple valid structures. We create a pipeline that downloads fresh data from active online communities upon execution and evaluates the VLMs without human intervention. We introduce three domains (Webpages, LaTeX, and Musical Scores) and use five image metrics (pixel similarity, cosine similarity between the Inception vectors, learned perceptual image patch similarity, structural similarity index measure, and earth mover similarity) that allow efficient and automatic comparison between pairs of images. We evaluate Image2Struct on 14 prominent VLMs and find that scores vary widely, indicating that Image2Struct can differentiate between the performances of different VLMs. Additionally, the best score varies considerably across domains (e.g., 0.402 on sheet music vs. 0.830 on LaTeX equations), indicating that Image2Struct contains tasks of varying difficulty. For transparency, we release the full results at https://crfm.stanford.edu/helm/image2struct/v1.0.1/.

We investigate statistical properties of a likelihood approach to nonparametric estimation of a singular distribution using deep generative models. More specifically, a deep generative model is used to model high-dimensional data that are assumed to concentrate around some low-dimensional structure. Estimating the distribution supported on this low-dimensional structure, such as a low-dimensional manifold, is challenging due to its singularity with respect to the Lebesgue measure in the ambient space. In the considered model, a usual likelihood approach can fail to estimate the target distribution consistently due to the singularity. We prove that a novel and effective solution exists by perturbing the data with an instance noise, which leads to consistent estimation of the underlying distribution with desirable convergence rates. We also characterize the class of distributions that can be efficiently estimated via deep generative models. This class is sufficiently general to contain various structured distributions such as product distributions, classically smooth distributions and distributions supported on a low-dimensional manifold. Our analysis provides some insights on how deep generative models can avoid the curse of dimensionality for nonparametric distribution estimation. We conduct a thorough simulation study and real data analysis to empirically demonstrate that the proposed data perturbation technique improves the estimation performance significantly.

The topology of the hyperlink graph among pages expressing different opinions may influence the exposure of readers to diverse content. Structural bias may trap a reader in a polarized bubble with no access to other opinions. We model readers' behavior as random walks. A node is in a polarized bubble if the expected length of a random walk from it to a page of different opinion is large. The structural bias of a graph is the sum of the radii of highly-polarized bubbles. We study the problem of decreasing the structural bias through edge insertions. Healing all nodes with high polarized bubble radius is hard to approximate within a logarithmic factor, so we focus on finding the best k edges to insert to maximally reduce the structural bias. We present RePBubLik, an algorithm that leverages a variant of the random walk closeness centrality to select the edges to insert. RePBubLik obtains, under mild conditions, a constant-factor approximation. It reduces the structural bias faster than existing edge-recommendation methods, including some designed to reduce the polarization of a graph.