NeurIPS 2024 论文列表

Group theory has been used in machine learning to provide a theoretically grounded approach for incorporating known symmetry transformations in tasks from robotics to protein modeling. In these applications, equivariant neural networks use known symmetry groups with predefined representations to learn over geometric input data. We propose MatrixNet, a neural network architecture that learns matrix representations of group element inputs instead of using predefined representations. MatrixNet achieves higher sample efficiency and generalization over several standard baselines in prediction tasks over the several finite groups and the Artin braid group. We also show that MatrixNet respects group relations allowing generalization to group elements of greater word length than in the training set. Our code is available at https://github.com/lucas-laird/MatrixNet.

In reinforcement learning (RL), the consideration of multivariate reward signals has led to fundamental advancements in multi-objective decision-making, transfer learning, and representation learning. This work introduces the first oracle-free and computationally-tractable algorithms for provably convergent multivariate *distributional* dynamic programming and temporal difference learning. Our convergence rates match the familiar rates in the scalar reward setting, and additionally provide new insights into the fidelity of approximate return distribution representations as a function of the reward dimension. Surprisingly, when the reward dimension is larger than $1$, we show that standard analysis of categorical TD learning fails, which we resolve with a novel projection onto the space of mass-$1$ signed measures. Finally, with the aid of our technical results and simulations, we identify tradeoffs between distribution representations that influence the performance of multivariate distributional RL in practice.

Deep learning on tabular data, and particularly tabular representation learning, has recently gained growing interest. However, representation learning for relational databases with multiple tables is still an underexplored area, which may be attributed to the lack of openly available resources. To support the development of foundation models for tabular data and relational databases, we introduce WikiDBs, a novel open-source corpus of 100,000 relational databases. Each database consists of multiple tables connected by foreign keys. The corpus is based on Wikidata and aims to follow certain characteristics of real-world databases. In this paper, we describe the dataset and our method for creating it. By making our code publicly available, we enable others to create tailored versions of the dataset, for example, by creating databases in different languages. Finally, we conduct a set of initial experiments to showcase how WikiDBs can be used to train for data engineering tasks, such as missing value imputation and column type annotation.

Implicit neural representation gains popularity in modeling the continuous 3D surface for 3D representation and reconstruction. In this work, we are motivated by the fact that the local 3D patches repeatedly appear on 3D shapes/surfaces if the factor of poses is removed. Based on this observation, we propose the 3D patch-level equivariant implicit function (PEIF) based on the 3D patch-level pose-invariant representation, allowing us to reconstruct 3D surfaces by estimating equivariant displacement vector fields for query points. Specifically, our model is based on the pose-normalized query/patch pairs and enhanced by the proposed intrinsic patch geometry representation, modeling the intrinsic 3D patch geometry feature by learnable multi-head memory banks. Extensive experiments show that our model achieves state-of-the-art performance on multiple surface reconstruction datasets, and also exhibits better generalization to crossdataset shapes and robustness to arbitrary rotations. Our code will be available at https://github.com/mathXin112/PEIF.git.

Non-exemplar class-incremental learning (NECIL) is a challenging task that requires recognizing both old and new classes without retaining any old class samples. Current works mainly deal with the conflicts between old and new classes retrospectively as a new task comes in. However, the lack of old task data makes balancing old and new classes difficult. Instead, we propose a Prospective Representation Learning (PRL) approach to prepare the model for handling conflicts in advance. In the base phase, we squeeze the embedding distribution of the current classes to reserve space for forward compatibility with future classes. In the incremental phase, we make the new class features away from the saved prototypes of old classes in a latent space while aligning the current embedding space with the latent space when updating the model. Thereby, the new class features are clustered in the reserved space to minimize the shock of the new classes on the former classes. Our approach can help existing NECIL baselines to balance old and new classes in a plug-and-play manner. Extensive experiments on several benchmarks demonstrate that our approach outperforms the state-of-the-art methods.

Variational Autoencoders for multimodal data hold promise for many tasks in data analysis, such as representation learning, conditional generation, and imputation. Current architectures either share the encoder output, decoder input, or both across modalities to learn a shared representation. Such architectures impose hard constraints on the model. In this work, we show that a better latent representation can be obtained by replacing these hard constraints with a soft constraint. We propose a new mixture-of-experts prior, softly guiding each modality's latent representation towards a shared aggregate posterior. This approach results in a superior latent representation and allows each encoding to preserve information better from its uncompressed original features. In extensive experiments on multiple benchmark datasets and two challenging real-world datasets, we show improved learned latent representations and imputation of missing data modalities compared to existing methods.

What computational structure are we building into large language models when we train them on next-token prediction? Here, we present evidence that this structure is given by the meta-dynamics of belief updating over hidden states of the data- generating process. Leveraging the theory of optimal prediction, we anticipate and then find that belief states are linearly represented in the residual stream of transformers, even in cases where the predicted belief state geometry has highly nontrivial fractal structure. We investigate cases where the belief state geometry is represented in the final residual stream or distributed across the residual streams of multiple layers, providing a framework to explain these observations. Furthermore we demonstrate that the inferred belief states contain information about the entire future, beyond the local next-token prediction that the transformers are explicitly trained on. Our work provides a general framework connecting the structure of training data to the geometric structure of activations inside transformers.

Multimodal Sentiment Analysis (MSA) is an important research area that aims to understand and recognize human sentiment through multiple modalities. The complementary information provided by multimodal fusion promotes better sentiment analysis compared to utilizing only a single modality. Nevertheless, in real-world applications, many unavoidable factors may lead to situations of uncertain modality missing, thus hindering the effectiveness of multimodal modeling and degrading the model’s performance. To this end, we propose a Hierarchical Representation Learning Framework (HRLF) for the MSA task under uncertain missing modalities. Specifically, we propose a fine-grained representation factorization module that sufficiently extracts valuable sentiment information by factorizing modality into sentiment-relevant and modality-specific representations through crossmodal translation and sentiment semantic reconstruction. Moreover, a hierarchical mutual information maximization mechanism is introduced to incrementally maximize the mutual information between multi-scale representations to align and reconstruct the high-level semantics in the representations. Ultimately, we propose a hierarchical adversarial learning mechanism that further aligns and adapts the latent distribution of sentiment-relevant representations to produce robust joint multimodal representations. Comprehensive experiments on three datasets demonstrate that HRLF significantly improves MSA performance under uncertain modality missing cases.

Graph Contrastive Learning (GCL) has emerged as a powerful approach for generating graph representations without the need for manual annotation. Most advanced GCL methods fall into three main frameworks: node discrimination, group discrimination, and bootstrapping schemes, all of which achieve comparable performance. However, the underlying mechanisms and factors that contribute to their effectiveness are not yet fully understood. In this paper, we revisit these frameworks and reveal a common mechanism—representation scattering—that significantly enhances their performance. Our discovery highlights an essential feature of GCL and unifies these seemingly disparate methods under the concept of representation scattering. To leverage this insight, we introduce Scattering Graph Representation Learning (SGRL), a novel framework that incorporates a new representation scattering mechanism designed to enhance representation diversity through a center-away strategy. Additionally, consider the interconnected nature of graphs, we develop a topology-based constraint mechanism that integrates graph structural properties with representation scattering to prevent excessive scattering. We extensively evaluate SGRL across various downstream tasks on benchmark datasets, demonstrating its efficacy and superiority over existing GCL methods. Our findings underscore the significance of representation scattering in GCL and provide a structured framework for harnessing this mechanism to advance graph representation learning. The code of SGRL is at https://github.com/hedongxiao-tju/SGRL.

The denoising model has been proven a powerful generative model but has little exploration of discriminative tasks. Representation learning is important in discriminative tasks, which is defined as *"learning representations (or features) of the data that make it easier to extract useful information when building classifiers or other predictors"*. In this paper, we propose a novel Denoising Model for Representation Learning (*DenoiseRep*) to improve feature discrimination with joint feature extraction and denoising. *DenoiseRep* views each embedding layer in a backbone as a denoising layer, processing the cascaded embedding layers as if we are recursively denoise features step-by-step. This unifies the frameworks of feature extraction and denoising, where the former progressively embeds features from low-level to high-level, and the latter recursively denoises features step-by-step. After that, *DenoiseRep* fuses the parameters of feature extraction and denoising layers, and *theoretically demonstrates* its equivalence before and after the fusion, thus making feature denoising computation-free. *DenoiseRep* is a label-free algorithm that incrementally improves features but also complementary to the label if available. Experimental results on various discriminative vision tasks, including re-identification (Market-1501, DukeMTMC-reID, MSMT17, CUHK-03, vehicleID), image classification (ImageNet, UB200, Oxford-Pet, Flowers), object detection (COCO), image segmentation (ADE20K) show stability and impressive improvements. We also validate its effectiveness on the CNN (ResNet) and Transformer (ViT, Swin, Vmamda) architectures.

Neuro-symbolic neural networks have been extensively studied to integrate symbolic operations with neural networks, thereby improving systematic generalization. Specifically, Tensor Product Representation (TPR) framework enables neural networks to perform differentiable symbolic operations by encoding the symbolic structure of data within vector spaces. However, TPR-based neural networks often struggle to decompose unseen data into structured TPR representations, undermining their symbolic operations. To address this decomposition problem, we propose a Discrete Dictionary-based Decomposition (D3) layer designed to enhance the decomposition capabilities of TPR-based models. D3 employs discrete, learnable key-value dictionaries trained to capture symbolic features essential for decomposition operations. It leverages the prior knowledge acquired during training to generate structured TPR representations by mapping input data to pre-learned symbolic features within these dictionaries. D3 is a straightforward drop-in layer that can be seamlessly integrated into any TPR-based model without modifications. Our experimental results demonstrate that D3 significantly improves the systematic generalization of various TPR-based models while requiring fewer additional parameters. Notably, D3 outperforms baseline models on the synthetic task that demands the systematic decomposition of unseen combinatorial data.

Causal Temporal Representation Learning (Ctrl) methods aim to identify the temporal causal dynamics of complex nonstationary temporal sequences. Despite the success of existing Ctrl methods, they require either directly observing the domain variables or assuming a Markov prior on them. Such requirements limit the application of these methods in real-world scenarios when we do not have such prior knowledge of the domain variables. To address this problem, this work adopts a sparse transition assumption, aligned with intuitive human understanding, and presents identifiability results from a theoretical perspective. In particular, we explore under what conditions on the significance of the variability of the transitions we can build a model to identify the distribution shifts. Based on the theoretical result, we introduce a novel framework, *Causal Temporal Representation Learning with Nonstationary Sparse Transition* (CtrlNS), designed to leverage the constraints on transition sparsity and conditional independence to reliably identify both distribution shifts and latent factors. Our experimental evaluations on synthetic and real-world datasets demonstrate significant improvements over existing baselines, highlighting the effectiveness of our approach.

In reinforcement learning with image-based inputs, it is crucial to establish a robust and generalizable state representation. Recent advancements in metric learning, such as deep bisimulation metric approaches, have shown promising results in learning structured low-dimensional representation space from pixel observations, where the distance between states is measured based on task-relevant features. However, these approaches face challenges in demanding generalization tasks and scenarios with non-informative rewards. This is because they fail to capture sufficient long-term information in the learned representations. To address these challenges, we propose a novel State Chrono Representation (SCR) approach. SCR augments state metric-based representations by incorporating extensive temporal information into the update step of bisimulation metric learning. It learns state distances within a temporal framework that considers both future dynamics and cumulative rewards over current and long-term future states. Our learning strategy effectively incorporates future behavioral information into the representation space without introducing a significant number of additional parameters for modeling dynamics. Extensive experiments conducted in DeepMind Control and Meta-World environments demonstrate that SCR achieves better performance comparing to other recent metric-based methods in demanding generalization tasks. The codes of SCR are available in https://github.com/jianda-chen/SCR.

We present a differentiable representation, DMesh, for general 3D triangular meshes. DMesh considers both the geometry and connectivity information of a mesh. In our design, we first get a set of convex tetrahedra that compactly tessellates the domain based on Weighted Delaunay Triangulation (WDT), and select triangular faces on the tetrahedra to define the final mesh. We formulate probability of faces to exist on the actual surface in a differentiable manner based on the WDT. This enables DMesh to represent meshes of various topology in a differentiable way, and allows us to reconstruct the mesh under various observations, such as point clouds and multi-view images using gradient-based optimization. We publicize the source code and supplementary material at our project page (https://sonsang.github.io/dmesh-project).

Recent advances in implicit neural representation (INR)-based video coding have demonstrated its potential to compete with both conventional and other learning- based approaches. With INR methods, a neural network is trained to overfit a video sequence, with its parameters compressed to obtain a compact representation of the video content. However, although promising results have been achieved, the best INR-based methods are still out-performed by the latest standard codecs, such as VVC VTM, partially due to the simple model compression techniques employed. In this paper, rather than focusing on representation architectures, which is a common focus in many existing works, we propose a novel INR-based video compression framework, Neural Video Representation Compression (NVRC), targeting compression of the representation. Based on its novel quantization and entropy coding approaches, NVRC is the first framework capable of optimizing an INR-based video representation in a fully end-to-end manner for the rate-distortion trade-off. To further minimize the additional bitrate overhead introduced by the entropy models, NVRC also compresses all the network, quantization and entropy model parameters hierarchically. Our experiments show that NVRC outperforms many conventional and learning-based benchmark codecs, with a 23% average coding gain over VVC VTM (Random Access) on the UVG dataset, measured in PSNR. As far as we are aware, this is the first time an INR-based video codec achieving such performance.

Multi-View Representation Learning (MVRL) aims to learn a unified representation of an object from multi-view data. Deep Canonical Correlation Analysis (DCCA) and its variants share simple formulations and demonstrate state-of-the-art performance. However, with extensive experiments, we observe the issue of model collapse, i.e., the performance of DCCA-based methods will drop drastically when training proceeds. The model collapse issue could significantly hinder the wide adoption of DCCA-based methods because it is challenging to decide when to early stop. To this end, we develop NR-DCCA, which is equipped with a novel noise regularization approach to prevent model collapse. Theoretical analysis shows that the Correlation Invariant Property is the key to preventing model collapse, and our noise regularization forces the neural network to possess such a property. A framework to construct synthetic data with different common and complementary information is also developed to compare MVRL methods comprehensively. The developed NR-DCCA outperforms baselines stably and consistently in both synthetic and real-world datasets, and the proposed noise regularization approach can also be generalized to other DCCA-based methods such as DGCCA.

Heatmap regression has dominated human pose estimation due to its superior performance and strong generalization. To meet the requirements of traditional explicit neural networks for output form, existing heatmap-based methods discretize the originally continuous heatmap representation into 2D pixel arrays, which leads to performance degradation due to the introduction of quantization errors. This problem is significantly exacerbated as the size of the input image decreases, which makes heatmap-based methods not much better than coordinate regression on low-resolution images. In this paper, we propose a novel neural representation for human pose estimation called NerPE to achieve continuous heatmap regression. Given any position within the image range, NerPE regresses the corresponding confidence scores for body joints according to the surrounding image features, which guarantees continuity in space and confidence during training. Thanks to the decoupling from spatial resolution, NerPE can output the predicted heatmaps at arbitrary resolution during inference without retraining, which easily achieves sub-pixel localization precision. To reduce the computational cost, we design progressive coordinate decoding to cooperate with continuous heatmap regression, in which localization no longer requires the complete generation of high-resolution heatmaps. The code is available at https://github.com/hushengxiang/NerPE.

Cryptographic problems, operating within binary variable spaces, can be routinely transformed into Boolean Satisfiability (SAT) problems regarding specific cryptographic conditions like plaintext-ciphertext matching. With the fast development of learning for discrete data, this SAT representation also facilitates the utilization of machine-learning approaches with the hope of automatically capturing patterns and strategies inherent in cryptographic structures in a data-driven manner. Existing neural SAT solvers consistently adopt conjunctive normal form (CNF) for instance representation, which in the cryptographic context can lead to scale explosion and a loss of high-level semantics. In particular, extensively used XOR operations in cryptographic problems can incur an exponential number of clauses. In this paper, we propose a graph structure based on Arithmetic Normal Form (ANF) to efficiently handle the XOR operation bottleneck. Additionally, we design an encoding method for AND operations in these ANF-based graphs, demonstrating improved efficiency over alternative general graph forms for SAT. We then propose CryptoANFNet, a graph learning approach that trains a classifier based on a message-passing scheme to predict plaintext-ciphertext satisfiability. Using ANF-based SAT instances, CryptoANFNet demonstrates superior scalability and can naturally capture higher-order operational information. Empirically, CryptoANFNet achieves a 50x speedup over heuristic solvers and outperforms SOTA learning-based SAT solver NeuroSAT, with 96\% vs. 91\% accuracy on small-scale and 72\% vs. 55\% on large-scale datasets from real encryption algorithms. We also introduce a key-solving algorithm that simplifies ANF-based SAT instances from plaintext and ciphertext, enhancing key decryption accuracy from 76.5\% to 82\% and from 72\% to 75\% for datasets generated from two real encryption algorithms.

Gloss-free sign language translation (SLT) aims to develop well-performing SLT systems with no requirement for the costly gloss annotations, but currently still lags behind gloss-based approaches significantly. In this paper, we identify **a representation density problem** that could be a bottleneck in restricting the performance of gloss-free SLT. Specifically, the representation density problem describes that the visual representations of semantically distinct sign gestures tend to be closely packed together in feature space, which makes gloss-free methods struggle with distinguishing different sign gestures and suffer from a sharp performance drop. To address the representation density problem, we introduce a simple but effective contrastive learning strategy, namely SignCL, which encourages gloss-free models to learn more discriminative feature representation in a self-supervised manner. Our experiments demonstrate that the proposed SignCL can significantly reduce the representation density and improve performance across various translation frameworks. Specifically, SignCLachieves a significant improvement in BLEU score for the Sign Language Transformer and GFSLT-VLP on the CSL-Daily dataset by 39\% and 46\%, respectively, without any increase of model parameters. Compared to Sign2GPT, a state-of-the-art method based on large-scale pre-trained vision and language models, SignCLachieves better performance with only 35\% of its parameters. We will release our code and model to facilitate further research.