Daily Papers

Inspired by the effectiveness of 3D Gaussian Splatting (3DGS) in reconstructing detailed 3D scenes within multi-view setups and the emergence of large 2D human foundation models, we introduce Arc2Avatar, the first SDS-based method utilizing a human face foundation model as guidance with just a single image as input. To achieve that, we extend such a model for diverse-view human head generation by fine-tuning on synthetic data and modifying its conditioning. Our avatars maintain a dense correspondence with a human face mesh template, allowing blendshape-based expression generation. This is achieved through a modified 3DGS approach, connectivity regularizers, and a strategic initialization tailored for our task. Additionally, we propose an optional efficient SDS-based correction step to refine the blendshape expressions, enhancing realism and diversity. Experiments demonstrate that Arc2Avatar achieves state-of-the-art realism and identity preservation, effectively addressing color issues by allowing the use of very low guidance, enabled by our strong identity prior and initialization strategy, without compromising detail. Please visit https://arc2avatar.github.io for more resources.

Facial expression and hand motions are necessary to express our emotions and interact with the world. Nevertheless, most of the 3D human avatars modeled from a casually captured video only support body motions without facial expressions and hand motions.In this work, we present ExAvatar, an expressive whole-body 3D human avatar learned from a short monocular video. We design ExAvatar as a combination of the whole-body parametric mesh model (SMPL-X) and 3D Gaussian Splatting (3DGS). The main challenges are 1) a limited diversity of facial expressions and poses in the video and 2) the absence of 3D observations, such as 3D scans and RGBD images. The limited diversity in the video makes animations with novel facial expressions and poses non-trivial. In addition, the absence of 3D observations could cause significant ambiguity in human parts that are not observed in the video, which can result in noticeable artifacts under novel motions. To address them, we introduce our hybrid representation of the mesh and 3D Gaussians. Our hybrid representation treats each 3D Gaussian as a vertex on the surface with pre-defined connectivity information (i.e., triangle faces) between them following the mesh topology of SMPL-X. It makes our ExAvatar animatable with novel facial expressions by driven by the facial expression space of SMPL-X. In addition, by using connectivity-based regularizers, we significantly reduce artifacts in novel facial expressions and poses.

Since sparse neural networks usually contain many zero weights, these unnecessary network connections can potentially be eliminated without degrading network performance. Therefore, well-designed sparse neural networks have the potential to significantly reduce FLOPs and computational resources. In this work, we propose a new automatic pruning method - Sparse Connectivity Learning (SCL). Specifically, a weight is re-parameterized as an element-wise multiplication of a trainable weight variable and a binary mask. Thus, network connectivity is fully described by the binary mask, which is modulated by a unit step function. We theoretically prove the fundamental principle of using a straight-through estimator (STE) for network pruning. This principle is that the proxy gradients of STE should be positive, ensuring that mask variables converge at their minima. After finding Leaky ReLU, Softplus, and Identity STEs can satisfy this principle, we propose to adopt Identity STE in SCL for discrete mask relaxation. We find that mask gradients of different features are very unbalanced, hence, we propose to normalize mask gradients of each feature to optimize mask variable training. In order to automatically train sparse masks, we include the total number of network connections as a regularization term in our objective function. As SCL does not require pruning criteria or hyper-parameters defined by designers for network layers, the network is explored in a larger hypothesis space to achieve optimized sparse connectivity for the best performance. SCL overcomes the limitations of existing automatic pruning methods. Experimental results demonstrate that SCL can automatically learn and select important network connections for various baseline network structures. Deep learning models trained by SCL outperform the SOTA human-designed and automatic pruning methods in sparsity, accuracy, and FLOPs reduction.

We introduce a novel class of regularization functions, called Cauchy-Schwarz (CS) regularizers, which can be designed to induce a wide range of properties in solution vectors of optimization problems. To demonstrate the versatility of CS regularizers, we derive regularization functions that promote discrete-valued vectors, eigenvectors of a given matrix, and orthogonal matrices. The resulting CS regularizers are simple, differentiable, and can be free of spurious stationary points, making them suitable for gradient-based solvers and large-scale optimization problems. In addition, CS regularizers automatically adapt to the appropriate scale, which is, for example, beneficial when discretizing the weights of neural networks. To demonstrate the efficacy of CS regularizers, we provide results for solving underdetermined systems of linear equations and weight quantization in neural networks. Furthermore, we discuss specializations, variations, and generalizations, which lead to an even broader class of new and possibly more powerful regularizers.

Spectral methods are popular in detecting global structures in the given data that can be represented as a matrix. However when the data matrix is sparse or noisy, classic spectral methods usually fail to work, due to localization of eigenvectors (or singular vectors) induced by the sparsity or noise. In this work, we propose a general method to solve the localization problem by learning a regularization matrix from the localized eigenvectors. Using matrix perturbation analysis, we demonstrate that the learned regularizations suppress down the eigenvalues associated with localized eigenvectors and enable us to recover the informative eigenvectors representing the global structure. We show applications of our method in several inference problems: community detection in networks, clustering from pairwise similarities, rank estimation and matrix completion problems. Using extensive experiments, we illustrate that our method solves the localization problem and works down to the theoretical detectability limits in different kinds of synthetic data. This is in contrast with existing spectral algorithms based on data matrix, non-backtracking matrix, Laplacians and those with rank-one regularizations, which perform poorly in the sparse case with noise.

Electronic Health Records (EHR) are high-dimensional data with implicit connections among thousands of medical concepts. These connections, for instance, the co-occurrence of diseases and lab-disease correlations can be informative when only a subset of these variables is documented by the clinician. A feasible approach to improving the representation learning of EHR data is to associate relevant medical concepts and utilize these connections. Existing medical ontologies can be the reference for EHR structures, but they place numerous constraints on the data source. Recent progress on graph neural networks (GNN) enables end-to-end learning of topological structures for non-grid or non-sequential data. However, there are problems to be addressed on how to learn the medical graph adaptively and how to understand the effect of the medical graph on representation learning. In this paper, we propose a variationally regularized encoder-decoder graph network that achieves more robustness in graph structure learning by regularizing node representations. Our model outperforms the existing graph and non-graph based methods in various EHR predictive tasks based on both public data and real-world clinical data. Besides the improvements in empirical experiment performances, we provide an interpretation of the effect of variational regularization compared to standard graph neural network, using singular value analysis.

Connectivity structure shapes neural computation, but inferring this structure from population recordings is degenerate: multiple connectivity structures can generate identical dynamics. Recent work uses low-rank recurrent neural networks (lrRNNs) to infer low-dimensional latent dynamics and connectivity from observed activity, enabling a mechanistic interpretation of the dynamics. However, standard approaches for training lrRNNs can recover spurious structures irrelevant to the underlying dynamics. We first characterize the identifiability of connectivity structures in lrRNNs and determine conditions under which a unique solution exists. To find such solutions, we develop an inference framework based on maximum entropy and continuous normalizing flows (CNFs), trained via flow matching. Instead of estimating a single connectivity matrix, our method learns a distribution over connection weights that is maximally unbiased over unidentifiable components while matching the observed dynamics. This approach captures complex yet necessary distributions such as heavy-tailed connectivity found in empirical data. We validate our method on synthetic datasets with connectivity structures that generate multistable attractors, limit cycles, and ring attractors, and demonstrate its applicability in recordings from rat frontal cortex during decision-making. Our framework shifts circuit inference from recovering connectivity to identifying which connectivity structures are computationally required, and which are artifacts of underconstrained inference.

We present an end-to-end deep learning segmentation method by combining a 3D UNet architecture with a graph neural network (GNN) model. In this approach, the convolutional layers at the deepest level of the UNet are replaced by a GNN-based module with a series of graph convolutions. The dense feature maps at this level are transformed into a graph input to the GNN module. The incorporation of graph convolutions in the UNet provides nodes in the graph with information that is based on node connectivity, in addition to the local features learnt through the downsampled paths. This information can help improve segmentation decisions. By stacking several graph convolution layers, the nodes can access higher order neighbourhood information without substantial increase in computational expense. We propose two types of node connectivity in the graph adjacency: i) one predefined and based on a regular node neighbourhood, and ii) one dynamically computed during training and using the nearest neighbour nodes in the feature space. We have applied this method to the task of segmenting the airway tree from chest CT scans. Experiments have been performed on 32 CTs from the Danish Lung Cancer Screening Trial dataset. We evaluate the performance of the UNet-GNN models with two types of graph adjacency and compare it with the baseline UNet.

Deep neural networks exploiting millions of parameters are nowadays the norm in deep learning applications. This is a potential issue because of the great amount of computational resources needed for training, and of the possible loss of generalization performance of overparametrized networks. We propose in this paper a method for learning sparse neural topologies via a regularization technique which identifies non relevant weights and selectively shrinks their norm, while performing a classic update for relevant ones. This technique, which is an improvement of classical weight decay, is based on the definition of a regularization term which can be added to any loss functional regardless of its form, resulting in a unified general framework exploitable in many different contexts. The actual elimination of parameters identified as irrelevant is handled by an iterative pruning algorithm. We tested the proposed technique on different image classification and Natural language generation tasks, obtaining results on par or better then competitors in terms of sparsity and metrics, while achieving strong models compression.

Dynamic graph clustering aims to detect and track time-varying clusters in dynamic graphs, revealing the evolutionary mechanisms of complex real-world dynamic systems. Matrix factorization-based methods are promising approaches for this task; however, these methods often struggle with scalability and can be time-consuming when applied to large-scale dynamic graphs. Moreover, they tend to lack robustness and are vulnerable to real-world noisy data. To address these issues, we make three key contributions. First, to improve scalability, we propose temporal separated matrix factorization, where a single matrix is divided into multiple smaller matrices for independent factorization, resulting in faster computation. Second, to improve robustness, we introduce bi-clustering regularization, which jointly optimizes graph embedding and clustering, thereby filtering out noisy features from the graph embeddings. Third, to further enhance effectiveness and efficiency, we propose selective embedding updating, where we update only the embeddings of dynamic nodes while the embeddings of static nodes are fixed among different timestamps. Experimental results on six synthetic and five real-world benchmarks demonstrate the scalability, robustness and effectiveness of our proposed method. Source code is available at https://github.com/Clearloveyuan/DyG-MF.

We develop a novel theoretical framework for understating OT schemes respecting a class structure. For this purpose, we propose a convex OT program with a sum-of-norms regularization term, which provably recovers the underlying class structure under geometric assumptions. Furthermore, we derive an accelerated proximal algorithm with a closed-form projection and proximal operator scheme, thereby affording a more scalable algorithm for computing optimal transport plans. We provide a novel argument for the uniqueness of the optimum even in the absence of strong convexity. Our experiments show that the new regularizer not only results in a better preservation of the class structure in the data but also yields additional robustness to the data geometry, compared to previous regularizers.

We address the problem of network calibration adjusting miscalibrated confidences of deep neural networks. Many approaches to network calibration adopt a regularization-based method that exploits a regularization term to smooth the miscalibrated confidences. Although these approaches have shown the effectiveness on calibrating the networks, there is still a lack of understanding on the underlying principles of regularization in terms of network calibration. We present in this paper an in-depth analysis of existing regularization-based methods, providing a better understanding on how they affect to network calibration. Specifically, we have observed that 1) the regularization-based methods can be interpreted as variants of label smoothing, and 2) they do not always behave desirably. Based on the analysis, we introduce a novel loss function, dubbed ACLS, that unifies the merits of existing regularization methods, while avoiding the limitations. We show extensive experimental results for image classification and semantic segmentation on standard benchmarks, including CIFAR10, Tiny-ImageNet, ImageNet, and PASCAL VOC, demonstrating the effectiveness of our loss function.

Deep functional maps have recently emerged as a powerful tool for solving non-rigid shape correspondence tasks. Methods that use this approach combine the power and flexibility of the functional map framework, with data-driven learning for improved accuracy and generality. However, most existing methods in this area restrict the learning aspect only to the feature functions and still rely on axiomatic modeling for formulating the training loss or for functional map regularization inside the networks. This limits both the accuracy and the applicability of the resulting approaches only to scenarios where assumptions of the axiomatic models hold. In this work, we show, for the first time, that both in-network regularization and functional map training can be replaced with data-driven methods. For this, we first train a generative model of functional maps in the spectral domain using score-based generative modeling, built from a large collection of high-quality maps. We then exploit the resulting model to promote the structural properties of ground truth functional maps on new shape collections. Remarkably, we demonstrate that the learned models are category-agnostic, and can fully replace commonly used strategies such as enforcing Laplacian commutativity or orthogonality of functional maps. Our key technical contribution is a novel distillation strategy from diffusion models in the spectral domain. Experiments demonstrate that our learned regularization leads to better results than axiomatic approaches for zero-shot non-rigid shape matching. Our code is available at: https://github.com/daidedou/diffumatch/

Prediction tasks over nodes and edges in networks require careful effort in engineering features used by learning algorithms. Recent research in the broader field of representation learning has led to significant progress in automating prediction by learning the features themselves. However, present feature learning approaches are not expressive enough to capture the diversity of connectivity patterns observed in networks. Here we propose node2vec, an algorithmic framework for learning continuous feature representations for nodes in networks. In node2vec, we learn a mapping of nodes to a low-dimensional space of features that maximizes the likelihood of preserving network neighborhoods of nodes. We define a flexible notion of a node's network neighborhood and design a biased random walk procedure, which efficiently explores diverse neighborhoods. Our algorithm generalizes prior work which is based on rigid notions of network neighborhoods, and we argue that the added flexibility in exploring neighborhoods is the key to learning richer representations. We demonstrate the efficacy of node2vec over existing state-of-the-art techniques on multi-label classification and link prediction in several real-world networks from diverse domains. Taken together, our work represents a new way for efficiently learning state-of-the-art task-independent representations in complex networks.

We develop graph-based methods for semi-supervised learning based on label propagation on a data similarity graph. When data is abundant or arrive in a stream, the problems of computation and data storage arise for any graph-based method. We propose a fast approximate online algorithm that solves for the harmonic solution on an approximate graph. We show, both empirically and theoretically, that good behavior can be achieved by collapsing nearby points into a set of local representative points that minimize distortion. Moreover, we regularize the harmonic solution to achieve better stability properties. We also present graph-based methods for detecting conditional anomalies and apply them to the identification of unusual clinical actions in hospitals. Our hypothesis is that patient-management actions that are unusual with respect to the past patients may be due to errors and that it is worthwhile to raise an alert if such a condition is encountered. Conditional anomaly detection extends standard unconditional anomaly framework but also faces new problems known as fringe and isolated points. We devise novel nonparametric graph-based methods to tackle these problems. Our methods rely on graph connectivity analysis and soft harmonic solution. Finally, we conduct an extensive human evaluation study of our conditional anomaly methods by 15 experts in critical care.

Deep Neural Networks (DNN) have achieved state-of-the-art results in a wide range of tasks, with the best results obtained with large training sets and large models. In the past, GPUs enabled these breakthroughs because of their greater computational speed. In the future, faster computation at both training and test time is likely to be crucial for further progress and for consumer applications on low-power devices. As a result, there is much interest in research and development of dedicated hardware for Deep Learning (DL). Binary weights, i.e., weights which are constrained to only two possible values (e.g. -1 or 1), would bring great benefits to specialized DL hardware by replacing many multiply-accumulate operations by simple accumulations, as multipliers are the most space and power-hungry components of the digital implementation of neural networks. We introduce BinaryConnect, a method which consists in training a DNN with binary weights during the forward and backward propagations, while retaining precision of the stored weights in which gradients are accumulated. Like other dropout schemes, we show that BinaryConnect acts as regularizer and we obtain near state-of-the-art results with BinaryConnect on the permutation-invariant MNIST, CIFAR-10 and SVHN.

Vision Transformer models trained on large-scale datasets, although effective, often exhibit artifacts in the patch token they extract. While such defects can be alleviated by re-training the entire model with additional classification tokens, the underlying reasons for the presence of these tokens remain unclear. In this paper, we conduct a thorough investigation of this phenomenon, combining theoretical analysis with empirical observations. Our findings reveal that these artifacts originate from the pre-trained network itself, specifically stemming from the leading left singular vector of the network's weights. Furthermore, to mitigate these defects, we propose a novel fine-tuning smooth regularization that rectifies structural deficiencies using only a small dataset, thereby avoiding the need for complete re-training. We validate our method on various downstream tasks, including unsupervised segmentation, classification, supervised segmentation, and depth estimation, demonstrating its effectiveness in improving model performance. Codes and checkpoints are available at https://github.com/haoqiwang/sinder.

Regularizing neural networks is important for anticipating model behavior in regions of the data space that are not well represented. In this work, we propose a regularization technique for enforcing a level of smoothness in the mapping between the data input space and the loss value. We specify the level of regularity by requiring that the loss of the network satisfies an elliptic operator over the data domain. To do this, we modify the usual empirical risk minimization objective such that we instead minimize a new objective that satisfies an elliptic operator over points within the domain. This allows us to use existing theory on elliptic operators to anticipate the behavior of the error for points outside the training set. We propose a tractable computational method that approximates the behavior of the elliptic operator while being computationally efficient. Finally, we analyze the properties of the proposed regularization to understand the performance on common problems of distribution shift and group imbalance. Numerical experiments confirm the utility of the proposed regularization technique.

We introduce a design strategy for neural network macro-architecture based on self-similarity. Repeated application of a simple expansion rule generates deep networks whose structural layouts are precisely truncated fractals. These networks contain interacting subpaths of different lengths, but do not include any pass-through or residual connections; every internal signal is transformed by a filter and nonlinearity before being seen by subsequent layers. In experiments, fractal networks match the excellent performance of standard residual networks on both CIFAR and ImageNet classification tasks, thereby demonstrating that residual representations may not be fundamental to the success of extremely deep convolutional neural networks. Rather, the key may be the ability to transition, during training, from effectively shallow to deep. We note similarities with student-teacher behavior and develop drop-path, a natural extension of dropout, to regularize co-adaptation of subpaths in fractal architectures. Such regularization allows extraction of high-performance fixed-depth subnetworks. Additionally, fractal networks exhibit an anytime property: shallow subnetworks provide a quick answer, while deeper subnetworks, with higher latency, provide a more accurate answer.

The success of deep learning is due in large part to our ability to solve certain massive non-convex optimization problems with relative ease. Though non-convex optimization is NP-hard, simple algorithms -- often variants of stochastic gradient descent -- exhibit surprising effectiveness in fitting large neural networks in practice. We argue that neural network loss landscapes often contain (nearly) a single basin after accounting for all possible permutation symmetries of hidden units a la Entezari et al. 2021. We introduce three algorithms to permute the units of one model to bring them into alignment with a reference model in order to merge the two models in weight space. This transformation produces a functionally equivalent set of weights that lie in an approximately convex basin near the reference model. Experimentally, we demonstrate the single basin phenomenon across a variety of model architectures and datasets, including the first (to our knowledge) demonstration of zero-barrier linear mode connectivity between independently trained ResNet models on CIFAR-10. Additionally, we identify intriguing phenomena relating model width and training time to mode connectivity. Finally, we discuss shortcomings of the linear mode connectivity hypothesis, including a counterexample to the single basin theory.

Masked graph autoencoders have emerged as a powerful graph self-supervised learning method that has yet to be fully explored. In this paper, we unveil that the existing discrete edge masking and binary link reconstruction strategies are insufficient to learn topologically informative representations, from the perspective of message propagation on graph neural networks. These limitations include blocking message flows, vulnerability to over-smoothness, and suboptimal neighborhood discriminability. Inspired by these understandings, we explore non-discrete edge masks, which are sampled from a continuous and dispersive probability distribution instead of the discrete Bernoulli distribution. These masks restrict the amount of output messages for each edge, referred to as "bandwidths". We propose a novel, informative, and effective topological masked graph autoencoder using bandwidth masking and a layer-wise bandwidth prediction objective. We demonstrate its powerful graph topological learning ability both theoretically and empirically. Our proposed framework outperforms representative baselines in both self-supervised link prediction (improving the discrete edge reconstructors by at most 20%) and node classification on numerous datasets, solely with a structure-learning pretext. Our implementation is available at https://github.com/Newiz430/Bandana.

We introduce a regularization loss based on kernel mean embeddings with rotation-invariant kernels on the hypersphere (also known as dot-product kernels) for self-supervised learning of image representations. Besides being fully competitive with the state of the art, our method significantly reduces time and memory complexity for self-supervised training, making it implementable for very large embedding dimensions on existing devices and more easily adjustable than previous methods to settings with limited resources. Our work follows the major paradigm where the model learns to be invariant to some predefined image transformations (cropping, blurring, color jittering, etc.), while avoiding a degenerate solution by regularizing the embedding distribution. Our particular contribution is to propose a loss family promoting the embedding distribution to be close to the uniform distribution on the hypersphere, with respect to the maximum mean discrepancy pseudometric. We demonstrate that this family encompasses several regularizers of former methods, including uniformity-based and information-maximization methods, which are variants of our flexible regularization loss with different kernels. Beyond its practical consequences for state-of-the-art self-supervised learning with limited resources, the proposed generic regularization approach opens perspectives to leverage more widely the literature on kernel methods in order to improve self-supervised learning methods.

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

Self-supervised learning (SSL) has emerged as a powerful paradigm for learning representations without labeled data, often by enforcing invariance to input transformations such as rotations or blurring. Recent studies have highlighted two pivotal properties for effective representations: (i) avoiding dimensional collapse-where the learned features occupy only a low-dimensional subspace, and (ii) enhancing uniformity of the induced distribution. In this work, we introduce T-REGS, a simple regularization framework for SSL based on the length of the Minimum Spanning Tree (MST) over the learned representation. We provide theoretical analysis demonstrating that T-REGS simultaneously mitigates dimensional collapse and promotes distribution uniformity on arbitrary compact Riemannian manifolds. Several experiments on synthetic data and on classical SSL benchmarks validate the effectiveness of our approach at enhancing representation quality.

Random walks are widely used for mining networks due to the computational efficiency of computing them. For instance, graph representation learning learns a d-dimensional embedding space, so that the nodes that tend to co-occur on random walks (a proxy of being in the same network neighborhood) are close in the embedding space. Specific local network topology (i.e., structure) influences the co-occurrence of nodes on random walks, so random walks of limited length capture only partial topological information, hence diminishing the performance of downstream methods. We explicitly capture all topological neighborhood information and improve performance by introducing orbit adjacencies that quantify the adjacencies of two nodes as co-occurring on a given pair of graphlet orbits, which are symmetric positions on graphlets (small, connected, non-isomorphic, induced subgraphs of a large network). Importantly, we mathematically prove that random walks on up to k nodes capture only a subset of all the possible orbit adjacencies for up to k-node graphlets. Furthermore, we enable orbit adjacency-based analysis of networks by developing an efficient GRaphlet-orbit ADjacency COunter (GRADCO), which exhaustively computes all 28 orbit adjacency matrices for up to four-node graphlets. Note that four-node graphlets suffice, because real networks are usually small-world. In large networks on around 20,000 nodes, GRADCOcomputesthe28matricesinminutes. Onsixrealnetworksfromvarious domains, we compare the performance of node-label predictors obtained by using the network embeddings based on our orbit adjacencies to those based on random walks. We find that orbit adjacencies, which include those unseen by random walks, outperform random walk-based adjacencies, demonstrating the importance of the inclusion of the topological neighborhood information that is unseen by random walks.

Supervised learning can be viewed as distilling relevant information from input data into feature representations. This process becomes difficult when supervision is noisy as the distilled information might not be relevant. In fact, recent research shows that networks can easily overfit all labels including those that are corrupted, and hence can hardly generalize to clean datasets. In this paper, we focus on the problem of learning with noisy labels and introduce compression inductive bias to network architectures to alleviate this over-fitting problem. More precisely, we revisit one classical regularization named Dropout and its variant Nested Dropout. Dropout can serve as a compression constraint for its feature dropping mechanism, while Nested Dropout further learns ordered feature representations w.r.t. feature importance. Moreover, the trained models with compression regularization are further combined with Co-teaching for performance boost. Theoretically, we conduct bias-variance decomposition of the objective function under compression regularization. We analyze it for both single model and Co-teaching. This decomposition provides three insights: (i) it shows that over-fitting is indeed an issue for learning with noisy labels; (ii) through an information bottleneck formulation, it explains why the proposed feature compression helps in combating label noise; (iii) it gives explanations on the performance boost brought by incorporating compression regularization into Co-teaching. Experiments show that our simple approach can have comparable or even better performance than the state-of-the-art methods on benchmarks with real-world label noise including Clothing1M and ANIMAL-10N. Our implementation is available at https://yingyichen-cyy.github.io/CompressFeatNoisyLabels/.

Proximal operators are ubiquitous in inverse problems, commonly appearing as part of algorithmic strategies to regularize problems that are otherwise ill-posed. Modern deep learning models have been brought to bear for these tasks too, as in the framework of plug-and-play or deep unrolling, where they loosely resemble proximal operators. Yet, something essential is lost in employing these purely data-driven approaches: there is no guarantee that a general deep network represents the proximal operator of any function, nor is there any characterization of the function for which the network might provide some approximate proximal. This not only makes guaranteeing convergence of iterative schemes challenging but, more fundamentally, complicates the analysis of what has been learned by these networks about their training data. Herein we provide a framework to develop learned proximal networks (LPN), prove that they provide exact proximal operators for a data-driven nonconvex regularizer, and show how a new training strategy, dubbed proximal matching, provably promotes the recovery of the log-prior of the true data distribution. Such LPN provide general, unsupervised, expressive proximal operators that can be used for general inverse problems with convergence guarantees. We illustrate our results in a series of cases of increasing complexity, demonstrating that these models not only result in state-of-the-art performance, but provide a window into the resulting priors learned from data.

In this paper, we present a novel generative task: joint scene graph - image generation. While previous works have explored image generation conditioned on scene graphs or layouts, our task is distinctive and important as it involves generating scene graphs themselves unconditionally from noise, enabling efficient and interpretable control for image generation. Our task is challenging, requiring the generation of plausible scene graphs with heterogeneous attributes for nodes (objects) and edges (relations among objects), including continuous object bounding boxes and discrete object and relation categories. We introduce a novel diffusion model, DiffuseSG, that jointly models the adjacency matrix along with heterogeneous node and edge attributes. We explore various types of encodings for the categorical data, relaxing it into a continuous space. With a graph transformer being the denoiser, DiffuseSG successively denoises the scene graph representation in a continuous space and discretizes the final representation to generate the clean scene graph. Additionally, we introduce an IoU regularization to enhance the empirical performance. Our model significantly outperforms existing methods in scene graph generation on the Visual Genome and COCO-Stuff datasets, both on standard and newly introduced metrics that better capture the problem complexity. Moreover, we demonstrate the additional benefits of our model in two downstream applications: 1) excelling in a series of scene graph completion tasks, and 2) improving scene graph detection models by using extra training samples generated from DiffuseSG.

Salient segmentation aims to segment out attention-grabbing regions, a critical yet challenging task and the foundation of many high-level computer vision applications. It requires semantic-aware grouping of pixels into salient regions and benefits from the utilization of global multi-scale contexts to achieve good local reasoning. Previous works often address it as two-class segmentation problems utilizing complicated multi-step procedures including refinement networks and complex graphical models. We argue that semantic salient segmentation can instead be effectively resolved by reformulating it as a simple yet intuitive pixel-pair based connectivity prediction task. Following the intuition that salient objects can be naturally grouped via semantic-aware connectivity between neighboring pixels, we propose a pure Connectivity Net (ConnNet). ConnNet predicts connectivity probabilities of each pixel with its neighboring pixels by leveraging multi-level cascade contexts embedded in the image and long-range pixel relations. We investigate our approach on two tasks, namely salient object segmentation and salient instance-level segmentation, and illustrate that consistent improvements can be obtained by modeling these tasks as connectivity instead of binary segmentation tasks for a variety of network architectures. We achieve state-of-the-art performance, outperforming or being comparable to existing approaches while reducing inference time due to our less complex approach.

Regularization is a set of techniques that are used to improve the generalization ability of deep neural networks. In this paper, we introduce weight compander (WC), a novel effective method to improve generalization by reparameterizing each weight in deep neural networks using a nonlinear function. It is a general, intuitive, cheap and easy to implement method, which can be combined with various other regularization techniques. Large weights in deep neural networks are a sign of a more complex network that is overfitted to the training data. Moreover, regularized networks tend to have a greater range of weights around zero with fewer weights centered at zero. We introduce a weight reparameterization function which is applied to each weight and implicitly reduces overfitting by restricting the magnitude of the weights while forcing them away from zero at the same time. This leads to a more democratic decision-making in the network. Firstly, individual weights cannot have too much influence in the prediction process due to the restriction of their magnitude. Secondly, more weights are used in the prediction process, since they are forced away from zero during the training. This promotes the extraction of more features from the input data and increases the level of weight redundancy, which makes the network less sensitive to statistical differences between training and test data. We extend our method to learn the hyperparameters of the introduced weight reparameterization function. This avoids hyperparameter search and gives the network the opportunity to align the weight reparameterization with the training progress. We show experimentally that using weight compander in addition to standard regularization methods improves the performance of neural networks.

Graphs or networks are a very convenient way to represent data with lots of interaction. Recently, Machine Learning on Graph data has gained a lot of traction. In particular, vertex classification and missing edge detection have very interesting applications, ranging from drug discovery to recommender systems. To achieve such tasks, tremendous work has been accomplished to learn embedding of nodes and edges into finite-dimension vector spaces. This task is called Graph Representation Learning. However, Graph Representation Learning techniques often display prohibitive time and memory complexities, preventing their use in real-time with business size graphs. In this paper, we address this issue by leveraging a degeneracy property of Graphs - the K-Core Decomposition. We present two techniques taking advantage of this decomposition to reduce the time and memory consumption of walk-based Graph Representation Learning algorithms. We evaluate the performances, expressed in terms of quality of embedding and computational resources, of the proposed techniques on several academic datasets. Our code is available at https://github.com/SBrandeis/kcore-embedding

Optimal Transport is a useful metric to compare probability distributions and to compute a pairing given a ground cost. Its entropic regularization variant (eOT) is crucial to have fast algorithms and reflect fuzzy/noisy matchings. This work focuses on Inverse Optimal Transport (iOT), the problem of inferring the ground cost from samples drawn from a coupling that solves an eOT problem. It is a relevant problem that can be used to infer unobserved/missing links, and to obtain meaningful information about the structure of the ground cost yielding the pairing. On one side, iOT benefits from convexity, but on the other side, being ill-posed, it requires regularization to handle the sampling noise. This work presents an in-depth theoretical study of the l1 regularization to model for instance Euclidean costs with sparse interactions between features. Specifically, we derive a sufficient condition for the robust recovery of the sparsity of the ground cost that can be seen as a far reaching generalization of the Lasso's celebrated Irrepresentability Condition. To provide additional insight into this condition, we work out in detail the Gaussian case. We show that as the entropic penalty varies, the iOT problem interpolates between a graphical Lasso and a classical Lasso, thereby establishing a connection between iOT and graph estimation, an important problem in ML.

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.

Graph Contrastive Learning (GCL) has emerged as a popular training approach for learning node embeddings from augmented graphs without labels. Despite the key principle that maximizing the similarity between positive node pairs while minimizing it between negative node pairs is well established, some fundamental problems are still unclear. Considering the complex graph structure, are some nodes consistently well-trained and following this principle even with different graph augmentations? Or are there some nodes more likely to be untrained across graph augmentations and violate the principle? How to distinguish these nodes and further guide the training of GCL? To answer these questions, we first present experimental evidence showing that the training of GCL is indeed imbalanced across all nodes. To address this problem, we propose the metric "node compactness", which is the lower bound of how a node follows the GCL principle related to the range of augmentations. We further derive the form of node compactness theoretically through bound propagation, which can be integrated into binary cross-entropy as a regularization. To this end, we propose the PrOvable Training (POT) for GCL, which regularizes the training of GCL to encode node embeddings that follows the GCL principle better. Through extensive experiments on various benchmarks, POT consistently improves the existing GCL approaches, serving as a friendly plugin.

This work presents an easy-to-use regularizer for GAN training, which helps explicitly link some axes of the latent space to an image region or a semantic category (e.g., sky) in the synthesis. Establishing such a connection facilitates a more convenient local control of GAN generation, where users can alter image content only within a spatial area simply by partially resampling the latent codes. Experimental results confirm four appealing properties of our regularizer, which we call LinkGAN. (1) Any image region can be linked to the latent space, even if the region is pre-selected before training and fixed for all instances. (2) Two or multiple regions can be independently linked to different latent axes, surprisingly allowing tokenized control of synthesized images. (3) Our regularizer can improve the spatial controllability of both 2D and 3D GAN models, barely sacrificing the synthesis performance. (4) The models trained with our regularizer are compatible with GAN inversion techniques and maintain editability on real images

Reconstructing 3D shapes from planar cross-sections is a challenge inspired by downstream applications like medical imaging and geographic informatics. The input is an in/out indicator function fully defined on a sparse collection of planes in space, and the output is an interpolation of the indicator function to the entire volume. Previous works addressing this sparse and ill-posed problem either produce low quality results, or rely on additional priors such as target topology, appearance information, or input normal directions. In this paper, we present OReX, a method for 3D shape reconstruction from slices alone, featuring a Neural Field as the interpolation prior. A modest neural network is trained on the input planes to return an inside/outside estimate for a given 3D coordinate, yielding a powerful prior that induces smoothness and self-similarities. The main challenge for this approach is high-frequency details, as the neural prior is overly smoothing. To alleviate this, we offer an iterative estimation architecture and a hierarchical input sampling scheme that encourage coarse-to-fine training, allowing the training process to focus on high frequencies at later stages. In addition, we identify and analyze a ripple-like effect stemming from the mesh extraction step. We mitigate it by regularizing the spatial gradients of the indicator function around input in/out boundaries during network training, tackling the problem at the root. Through extensive qualitative and quantitative experimentation, we demonstrate our method is robust, accurate, and scales well with the size of the input. We report state-of-the-art results compared to previous approaches and recent potential solutions, and demonstrate the benefit of our individual contributions through analysis and ablation studies.

Over the last few years, deep learning techniques have yielded significant improvements in image inpainting. However, many of these techniques fail to reconstruct reasonable structures as they are commonly over-smoothed and/or blurry. This paper develops a new approach for image inpainting that does a better job of reproducing filled regions exhibiting fine details. We propose a two-stage adversarial model EdgeConnect that comprises of an edge generator followed by an image completion network. The edge generator hallucinates edges of the missing region (both regular and irregular) of the image, and the image completion network fills in the missing regions using hallucinated edges as a priori. We evaluate our model end-to-end over the publicly available datasets CelebA, Places2, and Paris StreetView, and show that it outperforms current state-of-the-art techniques quantitatively and qualitatively. Code and models available at: https://github.com/knazeri/edge-connect

We analyze two classical algorithms for solving additively composite convex optimization problems where the objective is the sum of a smooth term and a nonsmooth regularizer: proximal stochastic gradient method for a single regularizer; and the randomized incremental proximal method, which uses the proximal operator of a randomly selected function when the regularizer is given as the sum of many nonsmooth functions. We focus on relaxing the bounded variance assumption that is common, yet stringent, for getting last iterate convergence rates. We prove the O(1/T) rate of convergence for the last iterate of both algorithms under componentwise convexity and smoothness, which is optimal up to log terms. Our results apply directly to graph-guided regularizers that arise in multi-task and federated learning, where the regularizer decomposes as a sum over edges of a collaboration graph.

Recovering a latent potential from observed flow on a directed graph (a discrete Poisson problem with Dirichlet boundaries) is ill-posed, and the standard fix backfires: ridge regularization shrinks toward a gauge-meaningless origin, collapsing and reversing the recovered ordering (+0.81to-0.42 rank correlation against a planted ground truth). The gauge-invariant graph Dirichlet energy removes the hazard and delivers parameter-insensitivity: the estimate is stable across four orders of magnitude in λ, whereas ridge inverts the ordering for every λ>0. We prove the reduced solve is SPD and preserves dynamic range exactly where ridge collapses it, and localize absorbing boundaries from flow alone via a Poisson residual. The H^1 seminorm is classical; what is new is the gauge diagnosis, the parameter-insensitivity it buys, and an ablation showing the result is robust to the extraction method. On three public clickstream corpora the gauge-invariant estimate retains 28--41% of the interior dynamic range while ridge collapses to as little as 0.2%. The same gauge invariance carries into graph neural networks -- neutralizing the constant mode per layer prevents the oversmoothing that collapses a deep directed GCN -- linking this classical inverse problem to a central question in graph learning.

Neural networks are a powerful class of nonlinear functions that can be trained end-to-end on various applications. While the over-parametrization nature in many neural networks renders the ability to fit complex functions and the strong representation power to handle challenging tasks, it also leads to highly correlated neurons that can hurt the generalization ability and incur unnecessary computation cost. As a result, how to regularize the network to avoid undesired representation redundancy becomes an important issue. To this end, we draw inspiration from a well-known problem in physics -- Thomson problem, where one seeks to find a state that distributes N electrons on a unit sphere as evenly as possible with minimum potential energy. In light of this intuition, we reduce the redundancy regularization problem to generic energy minimization, and propose a minimum hyperspherical energy (MHE) objective as generic regularization for neural networks. We also propose a few novel variants of MHE, and provide some insights from a theoretical point of view. Finally, we apply neural networks with MHE regularization to several challenging tasks. Extensive experiments demonstrate the effectiveness of our intuition, by showing the superior performance with MHE regularization.

Sparse linear models are one of several core tools for interpretable machine learning, a field of emerging importance as predictive models permeate decision-making in many domains. Unfortunately, sparse linear models are far less flexible as functions of their input features than black-box models like deep neural networks. With this capability gap in mind, we study a not-uncommon situation where the input features dichotomize into two groups: explanatory features, which are candidates for inclusion as variables in an interpretable model, and contextual features, which select from the candidate variables and determine their effects. This dichotomy leads us to the contextual lasso, a new statistical estimator that fits a sparse linear model to the explanatory features such that the sparsity pattern and coefficients vary as a function of the contextual features. The fitting process learns this function nonparametrically via a deep neural network. To attain sparse coefficients, we train the network with a novel lasso regularizer in the form of a projection layer that maps the network's output onto the space of ell_1-constrained linear models. An extensive suite of experiments on real and synthetic data suggests that the learned models, which remain highly transparent, can be sparser than the regular lasso without sacrificing the predictive power of a standard deep neural network.

We propose SAM-Road, an adaptation of the Segment Anything Model (SAM) for extracting large-scale, vectorized road network graphs from satellite imagery. To predict graph geometry, we formulate it as a dense semantic segmentation task, leveraging the inherent strengths of SAM. The image encoder of SAM is fine-tuned to produce probability masks for roads and intersections, from which the graph vertices are extracted via simple non-maximum suppression. To predict graph topology, we designed a lightweight transformer-based graph neural network, which leverages the SAM image embeddings to estimate the edge existence probabilities between vertices. Our approach directly predicts the graph vertices and edges for large regions without expensive and complex post-processing heuristics, and is capable of building complete road network graphs spanning multiple square kilometers in a matter of seconds. With its simple, straightforward, and minimalist design, SAM-Road achieves comparable accuracy with the state-of-the-art method RNGDet++, while being 40 times faster on the City-scale dataset. We thus demonstrate the power of a foundational vision model when applied to a graph learning task. The code is available at https://github.com/htcr/sam_road.

We propose a simple, yet powerful regularization technique that can be used to significantly improve both the pairwise and triplet losses in learning local feature descriptors. The idea is that in order to fully utilize the expressive power of the descriptor space, good local feature descriptors should be sufficiently "spread-out" over the space. In this work, we propose a regularization term to maximize the spread in feature descriptor inspired by the property of uniform distribution. We show that the proposed regularization with triplet loss outperforms existing Euclidean distance based descriptor learning techniques by a large margin. As an extension, the proposed regularization technique can also be used to improve image-level deep feature embedding.

We propose a new graph neural network (GNN) module, based on relaxations of recently proposed geometric scattering transforms, which consist of a cascade of graph wavelet filters. Our learnable geometric scattering (LEGS) module enables adaptive tuning of the wavelets to encourage band-pass features to emerge in learned representations. The incorporation of our LEGS-module in GNNs enables the learning of longer-range graph relations compared to many popular GNNs, which often rely on encoding graph structure via smoothness or similarity between neighbors. Further, its wavelet priors result in simplified architectures with significantly fewer learned parameters compared to competing GNNs. We demonstrate the predictive performance of LEGS-based networks on graph classification benchmarks, as well as the descriptive quality of their learned features in biochemical graph data exploration tasks. Our results show that LEGS-based networks match or outperforms popular GNNs, as well as the original geometric scattering construction, on many datasets, in particular in biochemical domains, while retaining certain mathematical properties of handcrafted (non-learned) geometric scattering.

As neural networks become deeper, the redundancy within their parameters increases. This phenomenon has led to several methods that attempt to reduce the correlation between convolutional filters. We propose a computationally efficient regularization technique that encourages orthonormality between groups of filters within the same layer. Our experiments show that when incorporated into recent adaptation methods for diffusion models and vision transformers (ViTs), this regularization improves performance on downstream tasks. We further show improved robustness when group orthogonality is enforced during adversarial training. Our code is available at https://github.com/YoavKurtz/GOR.

Vision Transformers (ViT) have shown their competitive advantages performance-wise compared to convolutional neural networks (CNNs) though they often come with high computational costs. To this end, previous methods explore different attention patterns by limiting a fixed number of spatially nearby tokens to accelerate the ViT's multi-head self-attention (MHSA) operations. However, such structured attention patterns limit the token-to-token connections to their spatial relevance, which disregards learned semantic connections from a full attention mask. In this work, we propose a novel approach to learn instance-dependent attention patterns, by devising a lightweight connectivity predictor module to estimate the connectivity score of each pair of tokens. Intuitively, two tokens have high connectivity scores if the features are considered relevant either spatially or semantically. As each token only attends to a small number of other tokens, the binarized connectivity masks are often very sparse by nature and therefore provide the opportunity to accelerate the network via sparse computations. Equipped with the learned unstructured attention pattern, sparse attention ViT (Sparsifiner) produces a superior Pareto-optimal trade-off between FLOPs and top-1 accuracy on ImageNet compared to token sparsity. Our method reduces 48% to 69% FLOPs of MHSA while the accuracy drop is within 0.4%. We also show that combining attention and token sparsity reduces ViT FLOPs by over 60%.

Machine learning frameworks such as graph neural networks typically rely on a given, fixed graph to exploit relational inductive biases and thus effectively learn from network data. However, when said graphs are (partially) unobserved, noisy, or dynamic, the problem of inferring graph structure from data becomes relevant. In this paper, we postulate a graph convolutional relationship between the observed and latent graphs, and formulate the graph learning task as a network inverse (deconvolution) problem. In lieu of eigendecomposition-based spectral methods or iterative optimization solutions, we unroll and truncate proximal gradient iterations to arrive at a parameterized neural network architecture that we call a Graph Deconvolution Network (GDN). GDNs can learn a distribution of graphs in a supervised fashion, perform link prediction or edge-weight regression tasks by adapting the loss function, and they are inherently inductive. We corroborate GDN's superior graph recovery performance and its generalization to larger graphs using synthetic data in supervised settings. Furthermore, we demonstrate the robustness and representation power of GDNs on real world neuroimaging and social network datasets.

Masked image modeling (MIM) has attracted much research attention due to its promising potential for learning scalable visual representations. In typical approaches, models usually focus on predicting specific contents of masked patches, and their performances are highly related to pre-defined mask strategies. Intuitively, this procedure can be considered as training a student (the model) on solving given problems (predict masked patches). However, we argue that the model should not only focus on solving given problems, but also stand in the shoes of a teacher to produce a more challenging problem by itself. To this end, we propose Hard Patches Mining (HPM), a brand-new framework for MIM pre-training. We observe that the reconstruction loss can naturally be the metric of the difficulty of the pre-training task. Therefore, we introduce an auxiliary loss predictor, predicting patch-wise losses first and deciding where to mask next. It adopts a relative relationship learning strategy to prevent overfitting to exact reconstruction loss values. Experiments under various settings demonstrate the effectiveness of HPM in constructing masked images. Furthermore, we empirically find that solely introducing the loss prediction objective leads to powerful representations, verifying the efficacy of the ability to be aware of where is hard to reconstruct.

We introduce in this paper the mechanism of graph random features (GRFs). GRFs can be used to construct unbiased randomized estimators of several important kernels defined on graphs' nodes, in particular the regularized Laplacian kernel. As regular RFs for non-graph kernels, they provide means to scale up kernel methods defined on graphs to larger networks. Importantly, they give substantial computational gains also for smaller graphs, while applied in downstream applications. Consequently, GRFs address the notoriously difficult problem of cubic (in the number of the nodes of the graph) time complexity of graph kernels algorithms. We provide a detailed theoretical analysis of GRFs and an extensive empirical evaluation: from speed tests, through Frobenius relative error analysis to kmeans graph-clustering with graph kernels. We show that the computation of GRFs admits an embarrassingly simple distributed algorithm that can be applied if the graph under consideration needs to be split across several machines. We also introduce a (still unbiased) quasi Monte Carlo variant of GRFs, q-GRFs, relying on the so-called reinforced random walks, that might be used to optimize the variance of GRFs. As a byproduct, we obtain a novel approach to solve certain classes of linear equations with positive and symmetric matrices.

Graph neural networks aim to learn representations for graph-structured data and show impressive performance, particularly in node classification. Recently, many methods have studied the representations of GNNs from the perspective of optimization goals and spectral graph theory. However, the feature space that dominates representation learning has not been systematically studied in graph neural networks. In this paper, we propose to fill this gap by analyzing the feature space of both spatial and spectral models. We decompose graph neural networks into determined feature spaces and trainable weights, providing the convenience of studying the feature space explicitly using matrix space analysis. In particular, we theoretically find that the feature space tends to be linearly correlated due to repeated aggregations. Motivated by these findings, we propose 1) feature subspaces flattening and 2) structural principal components to expand the feature space. Extensive experiments verify the effectiveness of our proposed more comprehensive feature space, with comparable inference time to the baseline, and demonstrate its efficient convergence capability.

Despite the significant recent progress in deep generative models, the underlying structure of their latent spaces is still poorly understood, thereby making the task of performing semantically meaningful latent traversals an open research challenge. Most prior work has aimed to solve this challenge by modeling latent structures linearly, and finding corresponding linear directions which result in `disentangled' generations. In this work, we instead propose to model latent structures with a learned dynamic potential landscape, thereby performing latent traversals as the flow of samples down the landscape's gradient. Inspired by physics, optimal transport, and neuroscience, these potential landscapes are learned as physically realistic partial differential equations, thereby allowing them to flexibly vary over both space and time. To achieve disentanglement, multiple potentials are learned simultaneously, and are constrained by a classifier to be distinct and semantically self-consistent. Experimentally, we demonstrate that our method achieves both more qualitatively and quantitatively disentangled trajectories than state-of-the-art baselines. Further, we demonstrate that our method can be integrated as a regularization term during training, thereby acting as an inductive bias towards the learning of structured representations, ultimately improving model likelihood on similarly structured data.

Regularized optimal transport (OT) is now increasingly used as a loss or as a matching layer in neural networks. Entropy-regularized OT can be computed using the Sinkhorn algorithm but it leads to fully-dense transportation plans, meaning that all sources are (fractionally) matched with all targets. To address this issue, several works have investigated quadratic regularization instead. This regularization preserves sparsity and leads to unconstrained and smooth (semi) dual objectives, that can be solved with off-the-shelf gradient methods. Unfortunately, quadratic regularization does not give direct control over the cardinality (number of nonzeros) of the transportation plan. We propose in this paper a new approach for OT with explicit cardinality constraints on the transportation plan. Our work is motivated by an application to sparse mixture of experts, where OT can be used to match input tokens such as image patches with expert models such as neural networks. Cardinality constraints ensure that at most k tokens are matched with an expert, which is crucial for computational performance reasons. Despite the nonconvexity of cardinality constraints, we show that the corresponding (semi) dual problems are tractable and can be solved with first-order gradient methods. Our method can be thought as a middle ground between unregularized OT (recovered in the limit case k=1) and quadratically-regularized OT (recovered when k is large enough). The smoothness of the objectives increases as k increases, giving rise to a trade-off between convergence speed and sparsity of the optimal plan.

In disentangled representation learning, a model is asked to tease apart a dataset's underlying sources of variation and represent them independently of one another. Since the model is provided with no ground truth information about these sources, inductive biases take a paramount role in enabling disentanglement. In this work, we construct an inductive bias towards encoding to and decoding from an organized latent space. Concretely, we do this by (i) quantizing the latent space into discrete code vectors with a separate learnable scalar codebook per dimension and (ii) applying strong model regularization via an unusually high weight decay. Intuitively, the latent space design forces the encoder to combinatorially construct codes from a small number of distinct scalar values, which in turn enables the decoder to assign a consistent meaning to each value. Regularization then serves to drive the model towards this parsimonious strategy. We demonstrate the broad applicability of this approach by adding it to both basic data-reconstructing (vanilla autoencoder) and latent-reconstructing (InfoGAN) generative models. For reliable evaluation, we also propose InfoMEC, a new set of metrics for disentanglement that is cohesively grounded in information theory and fixes well-established shortcomings in previous metrics. Together with regularization, latent quantization dramatically improves the modularity and explicitness of learned representations on a representative suite of benchmark datasets. In particular, our quantized-latent autoencoder (QLAE) consistently outperforms strong methods from prior work in these key disentanglement properties without compromising data reconstruction.

We study neural network loss landscapes through the lens of mode connectivity, the observation that minimizers of neural networks retrieved via training on a dataset are connected via simple paths of low loss. Specifically, we ask the following question: are minimizers that rely on different mechanisms for making their predictions connected via simple paths of low loss? We provide a definition of mechanistic similarity as shared invariances to input transformations and demonstrate that lack of linear connectivity between two models implies they use dissimilar mechanisms for making their predictions. Relevant to practice, this result helps us demonstrate that naive fine-tuning on a downstream dataset can fail to alter a model's mechanisms, e.g., fine-tuning can fail to eliminate a model's reliance on spurious attributes. Our analysis also motivates a method for targeted alteration of a model's mechanisms, named connectivity-based fine-tuning (CBFT), which we analyze using several synthetic datasets for the task of reducing a model's reliance on spurious attributes.

Sparse Mixture-of-Experts (MoE) layers route tokens through a handful of experts, and learning-free compression of these layers reduces inference cost without retraining. A subtle obstruction blocks every existing compressor in this family: three experts can each be pairwise compatible yet form an irreducible cycle when merged together, so any score that ranks experts on pairwise signals is structurally blind to which triples are jointly mergeable. We show the obstruction is a precise mathematical object, the harmonic kernel of the simplicial Laplacian on a 2-complex whose vertices are experts, whose edges carry KL merge barriers, and whose faces carry triplet barriers; Hodge-decomposing the edge-barrier signal isolates the kernel exactly. We turn the diagnostic into a selection objective: HodgeCover greedily covers the harmonic-critical edges and triplet-critical triangles, and a hybrid variant of HodgeCover pairs it with off-the-shelf weight pruning on survivors. On three open-weight Sparse MoE backbones under aggressive expert reduction, HodgeCover matches state-of-the-art learning-free baselines on the expert-reduction axis, leads on the aggressive-compression frontier of the hybrid axis, and uniquely balances retained mass across all four Hodge components. These results show that exposing the harmonic kernel of a learned MoE structure changes which compressor wins at the regime that matters most.

Loss of plasticity is a phenomenon where neural networks become more difficult to train during the course of learning. Continual learning algorithms seek to mitigate this effect by sustaining good predictive performance while maintaining network trainability. We develop new techniques for improving continual learning by first reconsidering how initialization can ensure trainability during early phases of learning. From this perspective, we derive new regularization strategies for continual learning that ensure beneficial initialization properties are better maintained throughout training. In particular, we investigate two new regularization techniques for continual learning: (i) Wasserstein regularization toward the initial weight distribution, which is less restrictive than regularizing toward initial weights; and (ii) regularizing weight matrix singular values, which directly ensures gradient diversity is maintained throughout training. We present an experimental analysis that shows these alternative regularizers can improve continual learning performance across a range of supervised learning tasks and model architectures. The alternative regularizers prove to be less sensitive to hyperparameters while demonstrating better training in individual tasks, sustaining trainability as new tasks arrive, and achieving better generalization performance.

Upcycling pre-trained dense models into sparse Mixture-of-Experts (MoEs) efficiently increases model capacity but often suffers from poor expert specialization due to naive weight replication. Our analysis reveals that upcycled MoEs, even with conventional regularization, exhibit low-confidence, weakly differentiated routing, hindering performance. We introduce Dirichlet-Prior Shaping Loss (DPSL), a novel router regularization technique that directly shapes routing probability distributions by matching expert assignments to a target Dirichlet prior. DPSL offers fine-grained control over expert balance and specialization, and enables encoding of inductive biases such as encouraging experts to focus on specific modalities or tasks, without requiring manual intervention; notably, DPSL is a general tool applicable to any module that outputs categorical probability distributions, extending its utility beyond MoE training. Experiments on upcycled MoE vision-language models (with Qwen2, Phi3, Llama3.2 LLM backbones) show DPSL consistently outperforms upcycling strategies and regularization techniques across standard vision-language benchmarks, addressing the critical issue of poor specialization and fostering more adaptive, higher-performing models.

We propose a novel random walk-based algorithm for unbiased estimation of arbitrary functions of a weighted adjacency matrix, coined universal graph random features (u-GRFs). This includes many of the most popular examples of kernels defined on the nodes of a graph. Our algorithm enjoys subquadratic time complexity with respect to the number of nodes, overcoming the notoriously prohibitive cubic scaling of exact graph kernel evaluation. It can also be trivially distributed across machines, permitting learning on much larger networks. At the heart of the algorithm is a modulation function which upweights or downweights the contribution from different random walks depending on their lengths. We show that by parameterising it with a neural network we can obtain u-GRFs that give higher-quality kernel estimates or perform efficient, scalable kernel learning. We provide robust theoretical analysis and support our findings with experiments including pointwise estimation of fixed graph kernels, solving non-homogeneous graph ordinary differential equations, node clustering and kernel regression on triangular meshes.

The development of diffusion-based generative models over the past decade has largely proceeded independently of progress in representation learning. These diffusion models typically rely on regression-based objectives and generally lack explicit regularization. In this work, we propose Dispersive Loss, a simple plug-and-play regularizer that effectively improves diffusion-based generative models. Our loss function encourages internal representations to disperse in the hidden space, analogous to contrastive self-supervised learning, with the key distinction that it requires no positive sample pairs and therefore does not interfere with the sampling process used for regression. Compared to the recent method of representation alignment (REPA), our approach is self-contained and minimalist, requiring no pre-training, no additional parameters, and no external data. We evaluate Dispersive Loss on the ImageNet dataset across a range of models and report consistent improvements over widely used and strong baselines. We hope our work will help bridge the gap between generative modeling and representation learning.

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.

Graph Neural Networks (GNNs) are popular models for machine learning on graphs that typically follow the message-passing paradigm, whereby the feature of a node is updated recursively upon aggregating information over its neighbors. While exchanging messages over the input graph endows GNNs with a strong inductive bias, it can also make GNNs susceptible to over-squashing, thereby preventing them from capturing long-range interactions in the given graph. To rectify this issue, graph rewiring techniques have been proposed as a means of improving information flow by altering the graph connectivity. In this work, we identify three desiderata for graph-rewiring: (i) reduce over-squashing, (ii) respect the locality of the graph, and (iii) preserve the sparsity of the graph. We highlight fundamental trade-offs that occur between spatial and spectral rewiring techniques; while the former often satisfy (i) and (ii) but not (iii), the latter generally satisfy (i) and (iii) at the expense of (ii). We propose a novel rewiring framework that satisfies all of (i)--(iii) through a locality-aware sequence of rewiring operations. We then discuss a specific instance of such rewiring framework and validate its effectiveness on several real-world benchmarks, showing that it either matches or significantly outperforms existing rewiring approaches.

Graph Neural Networks (GNNs) are a powerful tool for machine learning on graphs.GNNs combine node feature information with the graph structure by recursively passing neural messages along edges of the input graph. However, incorporating both graph structure and feature information leads to complex models, and explaining predictions made by GNNs remains unsolved. Here we propose GNNExplainer, the first general, model-agnostic approach for providing interpretable explanations for predictions of any GNN-based model on any graph-based machine learning task. Given an instance, GNNExplainer identifies a compact subgraph structure and a small subset of node features that have a crucial role in GNN's prediction. Further, GNNExplainer can generate consistent and concise explanations for an entire class of instances. We formulate GNNExplainer as an optimization task that maximizes the mutual information between a GNN's prediction and distribution of possible subgraph structures. Experiments on synthetic and real-world graphs show that our approach can identify important graph structures as well as node features, and outperforms baselines by 17.1% on average. GNNExplainer provides a variety of benefits, from the ability to visualize semantically relevant structures to interpretability, to giving insights into errors of faulty GNNs.

Graph neural networks (GNNs) excel at aggregating neighbor information for classification, yet their performance is hindered by graph structural entanglement, where spurious correlations from semantically irrelevant neighbors contaminate node embeddings. This challenge is most acute for nodes near class boundaries in the embedding space, where amplified structural noise blurs decision boundaries and destabilizes predictions. Existing robust GNN methods largely treat all nodes uniformly, ignoring boundary vulnerabilities. In this paper, to improve classification performance, we tackle graph structural disentanglement by identifying boundary-region entanglement as the primary bottleneck and propose Boundary Embedding Shaping (BES), an adaptive contrastive learning GNN plug-in module that selectively suppresses spurious structural noise at decision boundaries with minimal model parameter perturbation. Extensive experiments demonstrate that BES consistently improves boundary discrimination and outperforms existing leading methods. Notably, BES boosts GCN performance by an average of 3.3% in node classification (up to 5.0% on WikiCS) and achieves superior accuracy in link prediction.

We investigate a variational method for ill-posed problems, named graphLa+Psi, which embeds a graph Laplacian operator in the regularization term. The novelty of this method lies in constructing the graph Laplacian based on a preliminary approximation of the solution, which is obtained using any existing reconstruction method Psi from the literature. As a result, the regularization term is both dependent on and adaptive to the observed data and noise. We demonstrate that graphLa+Psi is a regularization method and rigorously establish both its convergence and stability properties. We present selected numerical experiments in 2D computerized tomography, wherein we integrate the graphLa+Psi method with various reconstruction techniques Psi, including Filter Back Projection (graphLa+FBP), standard Tikhonov (graphLa+Tik), Total Variation (graphLa+TV), and a trained deep neural network (graphLa+Net). The graphLa+Psi approach significantly enhances the quality of the approximated solutions for each method Psi. Notably, graphLa+Net is outperforming, offering a robust and stable application of deep neural networks in solving inverse problems.

We present Deep Graph Infomax (DGI), a general approach for learning node representations within graph-structured data in an unsupervised manner. DGI relies on maximizing mutual information between patch representations and corresponding high-level summaries of graphs---both derived using established graph convolutional network architectures. The learnt patch representations summarize subgraphs centered around nodes of interest, and can thus be reused for downstream node-wise learning tasks. In contrast to most prior approaches to unsupervised learning with GCNs, DGI does not rely on random walk objectives, and is readily applicable to both transductive and inductive learning setups. We demonstrate competitive performance on a variety of node classification benchmarks, which at times even exceeds the performance of supervised learning.

We present a geometric framework for filtered approximate nearest neighbor (ANN) search. Filtering a proximity graph by a metadata predicate produces a subgraph, a fiber, whose connectivity and geometry can differ sharply from the full graph. Using local signals, we propose a two-phase search algorithm that combines full-graph exploration with filtered-neighbor descent when the local geometry is favorable. These signals also classify search failures into three regimes: topological cuts, geometric folds, and genuine basins. A key observation is that all three share a common resolution: restarting the search in a fiber-present cluster near the query. To support this, we introduce a lightweight anchor structure that identifies such regions and restarts the search accordingly. We show empirically that the method outperforms FAISS HNSW on filtered search and the three failure regimes separate cleanly and shift predictably with filter selectivity.

Over-parameterization of deep neural networks (DNNs) has shown high prediction accuracy for many applications. Although effective, the large number of parameters hinders its popularity on resource-limited devices and has an outsize environmental impact. Sparse training (using a fixed number of nonzero weights in each iteration) could significantly mitigate the training costs by reducing the model size. However, existing sparse training methods mainly use either random-based or greedy-based drop-and-grow strategies, resulting in local minimal and low accuracy. In this work, we consider the dynamic sparse training as a sparse connectivity search problem and design an exploitation and exploration acquisition function to escape from local optima and saddle points. We further design an acquisition function and provide the theoretical guarantees for the proposed method and clarify its convergence property. Experimental results show that sparse models (up to 98\% sparsity) obtained by our proposed method outperform the SOTA sparse training methods on a wide variety of deep learning tasks. On VGG-19 / CIFAR-100, ResNet-50 / CIFAR-10, ResNet-50 / CIFAR-100, our method has even higher accuracy than dense models. On ResNet-50 / ImageNet, the proposed method has up to 8.2\% accuracy improvement compared to SOTA sparse training methods.

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

Message passing neural networks (MPNNs) have emerged as go-to models for learning on graph-structured data in the past decade. Despite their effectiveness, most of such models still incur severe issues such as over-smoothing and -correlation, due to their underlying objective of minimizing the Dirichlet energy and the derived neighborhood aggregation operations. In this paper, we propose the DDSM, a new MPNN model built on an optimization framework that includes the stress majorization and orthogonal regularization for overcoming the above issues. Further, we introduce the diffusion distances for nodes into the framework to guide the new message passing operations and develop efficient algorithms for distance approximations, both backed by rigorous theoretical analyses. Our comprehensive experiments showcase that DDSM consistently and considerably outperforms 15 strong baselines on both homophilic and heterophilic graphs.

Optimal transport (OT) theory has been been used in machine learning to study and characterize maps that can push-forward efficiently a probability measure onto another. Recent works have drawn inspiration from Brenier's theorem, which states that when the ground cost is the squared-Euclidean distance, the ``best'' map to morph a continuous measure in P(Rd) into another must be the gradient of a convex function. To exploit that result, [Makkuva+ 2020, Korotin+2020] consider maps T=nabla f_theta, where f_theta is an input convex neural network (ICNN), as defined by Amos+2017, and fit theta with SGD using samples. Despite their mathematical elegance, fitting OT maps with ICNNs raises many challenges, due notably to the many constraints imposed on theta; the need to approximate the conjugate of f_theta; or the limitation that they only work for the squared-Euclidean cost. More generally, we question the relevance of using Brenier's result, which only applies to densities, to constrain the architecture of candidate maps fitted on samples. Motivated by these limitations, we propose a radically different approach to estimating OT maps: Given a cost c and a reference measure rho, we introduce a regularizer, the Monge gap M^c_{rho}(T) of a map T. That gap quantifies how far a map T deviates from the ideal properties we expect from a c-OT map. In practice, we drop all architecture requirements for T and simply minimize a distance (e.g., the Sinkhorn divergence) between Tsharpmu and nu, regularized by M^c_rho(T). We study M^c_{rho}, and show how our simple pipeline outperforms significantly other baselines in practice.

Semantic segmentation of LiDAR point clouds has been widely studied in recent years, with most existing methods focusing on tackling this task using a single scan of the environment. However, leveraging the temporal stream of observations can provide very rich contextual information on regions of the scene with poor visibility (e.g., occlusions) or sparse observations (e.g., at long range), and can help reduce redundant computation frame after frame. In this paper, we tackle the challenge of exploiting the information from the past frames to improve the predictions of the current frame in an online fashion. To address this challenge, we propose a novel framework for semantic segmentation of a temporal sequence of LiDAR point clouds that utilizes a memory network to store, update and retrieve past information. Our framework also includes a regularizer that penalizes prediction variations in the neighborhood of the point cloud. Prior works have attempted to incorporate memory in range view representations for semantic segmentation, but these methods fail to handle occlusions and the range view representation of the scene changes drastically as agents nearby move. Our proposed framework overcomes these limitations by building a sparse 3D latent representation of the surroundings. We evaluate our method on SemanticKITTI, nuScenes, and PandaSet. Our experiments demonstrate the effectiveness of the proposed framework compared to the state-of-the-art.

Representations learned via self-supervised learning (SSL) can be susceptible to dimensional collapse, where the learned representation subspace is of extremely low dimensionality and thus fails to represent the full data distribution and modalities. Dimensional collapse also known as the "underfilling" phenomenon is one of the major causes of degraded performance on downstream tasks. Previous work has investigated the dimensional collapse problem of SSL at a global level. In this paper, we demonstrate that representations can span over high dimensional space globally, but collapse locally. To address this, we propose a method called local dimensionality regularization (LDReg). Our formulation is based on the derivation of the Fisher-Rao metric to compare and optimize local distance distributions at an asymptotically small radius for each data point. By increasing the local intrinsic dimensionality, we demonstrate through a range of experiments that LDReg improves the representation quality of SSL. The results also show that LDReg can regularize dimensionality at both local and global levels.

We present hyper-connections, a simple yet effective method that can serve as an alternative to residual connections. This approach specifically addresses common drawbacks observed in residual connection variants, such as the seesaw effect between gradient vanishing and representation collapse. Theoretically, hyper-connections allow the network to adjust the strength of connections between features at different depths and dynamically rearrange layers. We conduct experiments focusing on the pre-training of large language models, including dense and sparse models, where hyper-connections show significant performance improvements over residual connections. Additional experiments conducted on vision tasks also demonstrate similar improvements. We anticipate that this method will be broadly applicable and beneficial across a wide range of AI problems.

We study the implications of the modeling choice to use a graph, instead of a hypergraph, to represent real-world interconnected systems whose constituent relationships are of higher order by nature. Such a modeling choice typically involves an underlying projection process that maps the original hypergraph onto a graph, and is common in graph-based analysis. While hypergraph projection can potentially lead to loss of higher-order relations, there exists very limited studies on the consequences of doing so, as well as its remediation. This work fills this gap by doing two things: (1) we develop analysis based on graph and set theory, showing two ubiquitous patterns of hyperedges that are root to structural information loss in all hypergraph projections; we also quantify the combinatorial impossibility of recovering the lost higher-order structures if no extra help is provided; (2) we still seek to recover the lost higher-order structures in hypergraph projection, and in light of (1)'s findings we propose to relax the problem into a learning-based setting. Under this setting, we develop a learning-based hypergraph reconstruction method based on an important statistic of hyperedge distributions that we find. Our reconstruction method is evaluated on 8 real-world datasets under different settings, and exhibits consistently good performance. We also demonstrate benefits of the reconstructed hypergraphs via use cases of protein rankings and link predictions.

We introduce a novel masked graph autoencoder (MGAE) framework to perform effective learning on graph structure data. Taking insights from self-supervised learning, we randomly mask a large proportion of edges and try to reconstruct these missing edges during training. MGAE has two core designs. First, we find that masking a high ratio of the input graph structure, e.g., 70%, yields a nontrivial and meaningful self-supervisory task that benefits downstream applications. Second, we employ a graph neural network (GNN) as an encoder to perform message propagation on the partially-masked graph. To reconstruct the large number of masked edges, a tailored cross-correlation decoder is proposed. It could capture the cross-correlation between the head and tail nodes of anchor edge in multi-granularity. Coupling these two designs enables MGAE to be trained efficiently and effectively. Extensive experiments on multiple open datasets (Planetoid and OGB benchmarks) demonstrate that MGAE generally performs better than state-of-the-art unsupervised learning competitors on link prediction and node classification.

Proposing an effective and flexible matrix to represent a graph is a fundamental challenge that has been explored from multiple perspectives, e.g., filtering in Graph Fourier Transforms. In this work, we develop a novel and general framework which unifies many existing GNN models from the view of parameterized decomposition and filtering, and show how it helps to enhance the flexibility of GNNs while alleviating the smoothness and amplification issues of existing models. Essentially, we show that the extensively studied spectral graph convolutions with learnable polynomial filters are constrained variants of this formulation, and releasing these constraints enables our model to express the desired decomposition and filtering simultaneously. Based on this generalized framework, we develop models that are simple in implementation but achieve significant improvements and computational efficiency on a variety of graph learning tasks. Code is available at https://github.com/qslim/PDF.

We present a novel approach for traffic forecasting in urban traffic scenarios using a combination of spectral graph analysis and deep learning. We predict both the low-level information (future trajectories) as well as the high-level information (road-agent behavior) from the extracted trajectory of each road-agent. Our formulation represents the proximity between the road agents using a weighted dynamic geometric graph (DGG). We use a two-stream graph-LSTM network to perform traffic forecasting using these weighted DGGs. The first stream predicts the spatial coordinates of road-agents, while the second stream predicts whether a road-agent is going to exhibit overspeeding, underspeeding, or neutral behavior by modeling spatial interactions between road-agents. Additionally, we propose a new regularization algorithm based on spectral clustering to reduce the error margin in long-term prediction (3-5 seconds) and improve the accuracy of the predicted trajectories. Moreover, we prove a theoretical upper bound on the regularized prediction error. We evaluate our approach on the Argoverse, Lyft, Apolloscape, and NGSIM datasets and highlight the benefits over prior trajectory prediction methods. In practice, our approach reduces the average prediction error by approximately 75% over prior algorithms and achieves a weighted average accuracy of 91.2% for behavior prediction. Additionally, our spectral regularization improves long-term prediction by up to 70%.

Graphical models are widely used in science to represent joint probability distributions with an underlying conditional dependence structure. The inverse problem of learning a discrete graphical model given i.i.d samples from its joint distribution can be solved with near-optimal sample complexity using a convex optimization method known as Generalized Regularized Interaction Screening Estimator (GRISE). But the computational cost of GRISE becomes prohibitive when the energy function of the true graphical model has higher-order terms. We introduce NeurISE, a neural net based algorithm for graphical model learning, to tackle this limitation of GRISE. We use neural nets as function approximators in an Interaction Screening objective function. The optimization of this objective then produces a neural-net representation for the conditionals of the graphical model. NeurISE algorithm is seen to be a better alternative to GRISE when the energy function of the true model has a high order with a high degree of symmetry. In these cases NeurISE is able to find the correct parsimonious representation for the conditionals without being fed any prior information about the true model. NeurISE can also be used to learn the underlying structure of the true model with some simple modifications to its training procedure. In addition, we also show a variant of NeurISE that can be used to learn a neural net representation for the full energy function of the true model.

We investigate methods for combining multiple self-supervised tasks--i.e., supervised tasks where data can be collected without manual labeling--in order to train a single visual representation. First, we provide an apples-to-apples comparison of four different self-supervised tasks using the very deep ResNet-101 architecture. We then combine tasks to jointly train a network. We also explore lasso regularization to encourage the network to factorize the information in its representation, and methods for "harmonizing" network inputs in order to learn a more unified representation. We evaluate all methods on ImageNet classification, PASCAL VOC detection, and NYU depth prediction. Our results show that deeper networks work better, and that combining tasks--even via a naive multi-head architecture--always improves performance. Our best joint network nearly matches the PASCAL performance of a model pre-trained on ImageNet classification, and matches the ImageNet network on NYU depth prediction.

Since the pioneering work on the lottery ticket hypothesis for graph neural networks (GNNs) was proposed in Chen et al. (2021), the study on finding graph lottery tickets (GLT) has become one of the pivotal focus in the GNN community, inspiring researchers to discover sparser GLT while achieving comparable performance to original dense networks. In parallel, the graph structure has gained substantial attention as a crucial factor in GNN training dynamics, also elucidated by several recent studies. Despite this, contemporary studies on GLT, in general, have not fully exploited inherent pathways in the graph structure and identified tickets in an iterative manner, which is time-consuming and inefficient. To address these limitations, we introduce TEDDY, a one-shot edge sparsification framework that leverages structural information by incorporating edge-degree information. Following edge sparsification, we encourage the parameter sparsity during training via simple projected gradient descent on the ell_0 ball. Given the target sparsity levels for both the graph structure and the model parameters, our TEDDY facilitates efficient and rapid realization of GLT within a single training. Remarkably, our experimental results demonstrate that TEDDY significantly surpasses conventional iterative approaches in generalization, even when conducting one-shot sparsification that solely utilizes graph structures, without taking feature information into account.

We consider the problem of estimating (diagonally dominant) M-matrices as precision matrices in Gaussian graphical models. These models exhibit intriguing properties, such as the existence of the maximum likelihood estimator with merely two observations for M-matrices lauritzen2019maximum,slawski2015estimation and even one observation for diagonally dominant M-matrices truell2021maximum. We propose an adaptive multiple-stage estimation method that refines the estimate by solving a weighted ell_1-regularized problem at each stage. Furthermore, we develop a unified framework based on the gradient projection method to solve the regularized problem, incorporating distinct projections to handle the constraints of M-matrices and diagonally dominant M-matrices. A theoretical analysis of the estimation error is provided. Our method outperforms state-of-the-art methods in precision matrix estimation and graph edge identification, as evidenced by synthetic and financial time-series data sets.

Penalizing the nuclear norm of a function's Jacobian encourages it to locally behave like a low-rank linear map. Such functions vary locally along only a handful of directions, making the Jacobian nuclear norm a natural regularizer for machine learning problems. However, this regularizer is intractable for high-dimensional problems, as it requires computing a large Jacobian matrix and taking its singular value decomposition. We show how to efficiently penalize the Jacobian nuclear norm using techniques tailor-made for deep learning. We prove that for functions parametrized as compositions f = g circ h, one may equivalently penalize the average squared Frobenius norm of Jg and Jh. We then propose a denoising-style approximation that avoids the Jacobian computations altogether. Our method is simple, efficient, and accurate, enabling Jacobian nuclear norm regularization to scale to high-dimensional deep learning problems. We complement our theory with an empirical study of our regularizer's performance and investigate applications to denoising and representation learning.

Self-supervision is often used for pre-training to foster performance on a downstream task by constructing meaningful representations of samples. Self-supervised learning (SSL) generally involves generating different views of the same sample and thus requires data augmentations that are challenging to construct for tabular data. This constitutes one of the main challenges of self-supervision for structured data. In the present work, we propose a novel augmentation-free SSL method for tabular data. Our approach, T-JEPA, relies on a Joint Embedding Predictive Architecture (JEPA) and is akin to mask reconstruction in the latent space. It involves predicting the latent representation of one subset of features from the latent representation of a different subset within the same sample, thereby learning rich representations without augmentations. We use our method as a pre-training technique and train several deep classifiers on the obtained representation. Our experimental results demonstrate a substantial improvement in both classification and regression tasks, outperforming models trained directly on samples in their original data space. Moreover, T-JEPA enables some methods to consistently outperform or match the performance of traditional methods likes Gradient Boosted Decision Trees. To understand why, we extensively characterize the obtained representations and show that T-JEPA effectively identifies relevant features for downstream tasks without access to the labels. Additionally, we introduce regularization tokens, a novel regularization method critical for training of JEPA-based models on structured data.

Hyper-Connections (HC) generalize residual connections into multiple streams, employing residual matrices for cross-stream feature mixing to enrich model expressivity. However, unconstrained mixing disrupts the identity mapping property intrinsic to the residual connection, causing unstable training. To address this, Manifold-Constrained Hyper-Connections (mHC) and its variant restrict these matrices to the Birkhoff polytope (doubly stochastic matrices) via Sinkhorn iterations or permutation-based parameterizations. We reveal three limitations of this polytope constraint: (1) identity degeneration, where learned matrices collapse around the identity and diminish cross-stream interactions, (2) an expressivity bottleneck, as the non-negativity constraint prevents subtractive feature disentanglement, and (3) parameterization inefficiencies, manifesting as unstable Sinkhorn iterations or the factorial-scaling overhead of permutation-based parameterizations. To overcome these flaws, we propose Spectral-Sphere-Constrained Hyper-Connections (sHC). By geometrically shifting the feasible set from a rigid polytope to a spectral norm sphere, sHC allows negative entries, unlocking subtractive interactions for selective feature diversification. This shift eliminates unstable Sinkhorn projections and factorial parameterization, enabling expressive, non-degenerate residual matrices while preserving training stability.

In this paper, we propose new randomized algorithms for estimating the two-to-infinity and one-to-two norms in a matrix-free setting, using only matrix-vector multiplications. Our methods are based on appropriate modifications of Hutchinson's diagonal estimator and its Hutch++ version. We provide oracle complexity bounds for both modifications. We further illustrate the practical utility of our algorithms for Jacobian-based regularization in deep neural network training on image classification tasks. We also demonstrate that our methodology can be applied to mitigate the effect of adversarial attacks in the domain of recommender systems.

The growing interest in machine learning problems over graphs with additional node information such as texts, images, or labels has popularized methods that require the costly operation of processing the entire graph. Yet, little effort has been made to the development of fast local methods (i.e. without accessing the entire graph) that extract useful information from such data. To that end, we propose a study of local graph clustering using noisy node labels as a proxy for additional node information. In this setting, nodes receive initial binary labels based on cluster affiliation: 1 if they belong to the target cluster and 0 otherwise. Subsequently, a fraction of these labels is flipped. We investigate the benefits of incorporating noisy labels for local graph clustering. By constructing a weighted graph with such labels, we study the performance of graph diffusion-based local clustering method on both the original and the weighted graphs. From a theoretical perspective, we consider recovering an unknown target cluster with a single seed node in a random graph with independent noisy node labels. We provide sufficient conditions on the label noise under which, with high probability, using diffusion in the weighted graph yields a more accurate recovery of the target cluster. This approach proves more effective than using the given labels alone or using diffusion in the label-free original graph. Empirically, we show that reliable node labels can be obtained with just a few samples from an attributed graph. Moreover, utilizing these labels via diffusion in the weighted graph leads to significantly better local clustering performance across several real-world datasets, improving F1 scores by up to 13%.

This work addresses weakly-supervised image semantic segmentation based on image-level class labels. One common approach to this task is to propagate the activation scores of Class Activation Maps (CAMs) using a random-walk mechanism in order to arrive at complete pseudo labels for training a semantic segmentation network in a fully-supervised manner. However, the feed-forward nature of the random walk imposes no regularization on the quality of the resulting complete pseudo labels. To overcome this issue, we propose a Graph Convolutional Network (GCN)-based feature propagation framework. We formulate the generation of complete pseudo labels as a semi-supervised learning task and learn a 2-layer GCN separately for every training image by back-propagating a Laplacian and an entropy regularization loss. Experimental results on the PASCAL VOC 2012 dataset confirm the superiority of our scheme to several state-of-the-art baselines. Our code is available at https://github.com/Xavier-Pan/WSGCN.

Automated interpretability research has recently attracted attention as a potential research direction that could scale explanations of neural network behavior to large models. Existing automated circuit discovery work applies activation patching to identify subnetworks responsible for solving specific tasks (circuits). In this work, we show that a simple method based on attribution patching outperforms all existing methods while requiring just two forward passes and a backward pass. We apply a linear approximation to activation patching to estimate the importance of each edge in the computational subgraph. Using this approximation, we prune the least important edges of the network. We survey the performance and limitations of this method, finding that averaged over all tasks our method has greater AUC from circuit recovery than other methods.

Sparse Autoencoders (SAEs) have shown promise in improving the interpretability of neural network activations, but can learn features that are not features of the input, limiting their effectiveness. We propose Mutual Feature Regularization (MFR), a regularization technique for improving feature learning by encouraging SAEs trained in parallel to learn similar features. We motivate MFR by showing that features learned by multiple SAEs are more likely to correlate with features of the input. By training on synthetic data with known features of the input, we show that MFR can help SAEs learn those features, as we can directly compare the features learned by the SAE with the input features for the synthetic data. We then scale MFR to SAEs that are trained to denoise electroencephalography (EEG) data and SAEs that are trained to reconstruct GPT-2 Small activations. We show that MFR can improve the reconstruction loss of SAEs by up to 21.21\% on GPT-2 Small, and 6.67\% on EEG data. Our results suggest that the similarity between features learned by different SAEs can be leveraged to improve SAE training, thereby enhancing performance and the usefulness of SAEs for model interpretability.

The capability to learn latent representations plays a key role in the effectiveness of recent machine learning methods. An active frontier in representation learning is understanding representations for combinatorial structures which may not admit well-behaved local neighborhoods or distance functions. For example, for polygons, slightly perturbing vertex locations might lead to significant changes in their combinatorial structure and may even lead to invalid polygons. In this paper, we investigate representations to capture the underlying combinatorial structures of polygons. Specifically, we study the open problem of Visibility Reconstruction: Given a visibility graph G, construct a polygon P whose visibility graph is G. We introduce VisDiff, a novel diffusion-based approach to reconstruct a polygon from its given visibility graph G. Our method first estimates the signed distance function (SDF) of P from G. Afterwards, it extracts ordered vertex locations that have the pairwise visibility relationship given by the edges of G. Our main insight is that going through the SDF significantly improves learning for reconstruction. In order to train VisDiff, we make two main contributions: (1) We design novel loss components for computing the visibility in a differentiable manner and (2) create a carefully curated dataset. We use this dataset to benchmark our method and achieve 21% improvement in F1-Score over standard methods. We also demonstrate effective generalization to out-of-distribution polygon types and show that learning a generative model allows us to sample the set of polygons with a given visibility graph. Finally, we extend our method to the related combinatorial problem of reconstruction from a triangulation. We achieve 95% classification accuracy of triangulation edges and a 4% improvement in Chamfer distance compared to current architectures.

Developing autonomous agents that can interact with changing environments is an open challenge in machine learning. Robustness is particularly important in these settings as agents are often fit offline on expert demonstrations but deployed online where they must generalize to the closed feedback loop within the environment. In this work, we explore the application of recurrent neural networks to tasks of this nature and understand how a parameterization of their recurrent connectivity influences robustness in closed-loop settings. Specifically, we represent the recurrent connectivity as a function of rank and sparsity and show both theoretically and empirically that modulating these two variables has desirable effects on network dynamics. The proposed low-rank, sparse connectivity induces an interpretable prior on the network that proves to be most amenable for a class of models known as closed-form continuous-time neural networks (CfCs). We find that CfCs with fewer parameters can outperform their full-rank, fully-connected counterparts in the online setting under distribution shift. This yields memory-efficient and robust agents while opening a new perspective on how we can modulate network dynamics through connectivity.

The presence of linear paths in parameter space between two different network solutions in certain cases, i.e., linear mode connectivity (LMC), has garnered interest from both theoretical and practical fronts. There has been significant research that either practically designs algorithms catered for connecting networks by adjusting for the permutation symmetries as well as some others that more theoretically construct paths through which networks can be connected. Yet, the core reasons for the occurrence of LMC, when in fact it does occur, in the highly non-convex loss landscapes of neural networks are far from clear. In this work, we take a step towards understanding it by providing a model of how the loss landscape needs to behave topographically for LMC (or the lack thereof) to manifest. Concretely, we present a `mountainside and ridge' perspective that helps to neatly tie together different geometric features that can be spotted in the loss landscape along the training runs. We also complement this perspective by providing a theoretical analysis of the barrier height, for which we provide empirical support, and which additionally extends as a faithful predictor of layer-wise LMC. We close with a toy example that provides further intuition on how barriers arise in the first place, all in all, showcasing the larger aim of the work -- to provide a working model of the landscape and its topography for the occurrence of LMC.

Understanding the topology of decision regions is central to explaining the inner workings of deep neural networks. Prior empirical work has provided evidence that these regions are path connected. We study a stronger topological question: whether closed loops inside a decision region can be contracted without leaving that region. To this end, we propose an iterative quad-mesh filling procedure that constructs a finite-resolution label-preserving surface bounded by a given loop and lying entirely within the same decision region. We further connect this construction to natural Coons patches in order to quantify its deviation from a canonical geometric interpolation of the loop. By evaluating our method across several modern image-classification models, we provide empirical evidence supporting the hypothesis that decision regions in deep neural networks are not only path connected, but also simply connected.

In the realm of computer vision and graphics, accurately establishing correspondences between geometric 3D shapes is pivotal for applications like object tracking, registration, texture transfer, and statistical shape analysis. Moving beyond traditional hand-crafted and data-driven feature learning methods, we incorporate spectral methods with deep learning, focusing on functional maps (FMs) and optimal transport (OT). Traditional OT-based approaches, often reliant on entropy regularization OT in learning-based framework, face computational challenges due to their quadratic cost. Our key contribution is to employ the sliced Wasserstein distance (SWD) for OT, which is a valid fast optimal transport metric in an unsupervised shape matching framework. This unsupervised framework integrates functional map regularizers with a novel OT-based loss derived from SWD, enhancing feature alignment between shapes treated as discrete probability measures. We also introduce an adaptive refinement process utilizing entropy regularized OT, further refining feature alignments for accurate point-to-point correspondences. Our method demonstrates superior performance in non-rigid shape matching, including near-isometric and non-isometric scenarios, and excels in downstream tasks like segmentation transfer. The empirical results on diverse datasets highlight our framework's effectiveness and generalization capabilities, setting new standards in non-rigid shape matching with efficient OT metrics and an adaptive refinement module.

Pruning methods have recently grown in popularity as an effective way to reduce the size and computational complexity of deep neural networks. Large numbers of parameters can be removed from trained models with little discernible loss in accuracy after a small number of continued training epochs. However, pruning too many parameters at once often causes an initial steep drop in accuracy which can undermine convergence quality. Iterative pruning approaches mitigate this by gradually removing a small number of parameters over multiple epochs. However, this can still lead to subnetworks that overfit local regions of the loss landscape. We introduce a novel and effective approach to tuning subnetworks through a regularization technique we call Stochastic Subnetwork Annealing. Instead of removing parameters in a discrete manner, we instead represent subnetworks with stochastic masks where each parameter has a probabilistic chance of being included or excluded on any given forward pass. We anneal these probabilities over time such that subnetwork structure slowly evolves as mask values become more deterministic, allowing for a smoother and more robust optimization of subnetworks at high levels of sparsity.

PixelCNNs are a recently proposed class of powerful generative models with tractable likelihood. Here we discuss our implementation of PixelCNNs which we make available at https://github.com/openai/pixel-cnn. Our implementation contains a number of modifications to the original model that both simplify its structure and improve its performance. 1) We use a discretized logistic mixture likelihood on the pixels, rather than a 256-way softmax, which we find to speed up training. 2) We condition on whole pixels, rather than R/G/B sub-pixels, simplifying the model structure. 3) We use downsampling to efficiently capture structure at multiple resolutions. 4) We introduce additional short-cut connections to further speed up optimization. 5) We regularize the model using dropout. Finally, we present state-of-the-art log likelihood results on CIFAR-10 to demonstrate the usefulness of these modifications.

Generative self-supervised learning (SSL), especially masked autoencoders, has become one of the most exciting learning paradigms and has shown great potential in handling graph data. However, real-world graphs are always heterogeneous, which poses three critical challenges that existing methods ignore: 1) how to capture complex graph structure? 2) how to incorporate various node attributes? and 3) how to encode different node positions? In light of this, we study the problem of generative SSL on heterogeneous graphs and propose HGMAE, a novel heterogeneous graph masked autoencoder model to address these challenges. HGMAE captures comprehensive graph information via two innovative masking techniques and three unique training strategies. In particular, we first develop metapath masking and adaptive attribute masking with dynamic mask rate to enable effective and stable learning on heterogeneous graphs. We then design several training strategies including metapath-based edge reconstruction to adopt complex structural information, target attribute restoration to incorporate various node attributes, and positional feature prediction to encode node positional information. Extensive experiments demonstrate that HGMAE outperforms both contrastive and generative state-of-the-art baselines on several tasks across multiple datasets. Codes are available at https://github.com/meettyj/HGMAE.

Although deep neural networks achieve tremendous success on various classification tasks, the generalization ability drops sheer when training datasets exhibit long-tailed distributions. One of the reasons is that the learned representations (i.e. features) from the imbalanced datasets are less effective than those from balanced datasets. Specifically, the learned representation under class-balanced distribution will present the Neural Collapse (NC) phenomena. NC indicates the features from the same category are close to each other and from different categories are maximally distant, showing an optimal linear separable state of classification. However, the pattern differs on imbalanced datasets and is partially responsible for the reduced performance of the model. In this work, we propose two explicit feature regularization terms to learn high-quality representation for class-imbalanced data. With the proposed regularization, NC phenomena will appear under the class-imbalanced distribution, and the generalization ability can be significantly improved. Our method is easily implemented, highly effective, and can be plugged into most existing methods. The extensive experimental results on widely-used benchmarks show the effectiveness of our method

Currently, most single image dehazing models cannot run an ultra-high-resolution (UHD) image with a single GPU shader in real-time. To address the problem, we introduce the principle of infinite approximation of Taylor's theorem with the Laplace pyramid pattern to build a model which is capable of handling 4K hazy images in real-time. The N branch networks of the pyramid network correspond to the N constraint terms in Taylor's theorem. Low-order polynomials reconstruct the low-frequency information of the image (e.g. color, illumination). High-order polynomials regress the high-frequency information of the image (e.g. texture). In addition, we propose a Tucker reconstruction-based regularization term that acts on each branch network of the pyramid model. It further constrains the generation of anomalous signals in the feature space. Extensive experimental results demonstrate that our approach can not only run 4K images with haze in real-time on a single GPU (80FPS) but also has unparalleled interpretability. The developed method achieves state-of-the-art (SOTA) performance on two benchmarks (O/I-HAZE) and our updated 4KID dataset while providing the reliable groundwork for subsequent optimization schemes.

Graph-level anomaly detection aims to identify anomalous graphs from a collection of graphs in an unsupervised manner. A common assumption of anomaly detection is that a reasonable decision boundary has a hypersphere shape, but may appear some non-conforming phenomena in high dimensions. Towards this end, we firstly propose a novel deep graph-level anomaly detection model, which learns the graph representation with maximum mutual information between substructure and global structure features while exploring a hypersphere anomaly decision boundary. The idea is to ensure the training data distribution consistent with the decision hypersphere via an orthogonal projection layer. Moreover, we further perform the bi-hypersphere compression to emphasize the discrimination of anomalous graphs from normal graphs. Note that our method is not confined to graph data and is applicable to anomaly detection of other data such as images. The numerical and visualization results on benchmark datasets demonstrate the effectiveness and superiority of our methods in comparison to many baselines and state-of-the-arts.

Segmentation algorithms are prone to make topological errors on fine-scale structures, e.g., broken connections. We propose a novel method that learns to segment with correct topology. In particular, we design a continuous-valued loss function that enforces a segmentation to have the same topology as the ground truth, i.e., having the same Betti number. The proposed topology-preserving loss function is differentiable and we incorporate it into end-to-end training of a deep neural network. Our method achieves much better performance on the Betti number error, which directly accounts for the topological correctness. It also performs superiorly on other topology-relevant metrics, e.g., the Adjusted Rand Index and the Variation of Information. We illustrate the effectiveness of the proposed method on a broad spectrum of natural and biomedical datasets.

The prevalent dual-branch paradigm, i.e., training a side network to encode visual conditions and fusing its intermediate-layer features to a frozen pretrained main network, has shown remarkable success in visual-condition controllable generation. Despite its widespread adoption, the role of the side branch and its training efficiency remain underexplored. In this paper, we first revisit this mainstream paradigm through the lens of score-based generative modeling: 1) The main network preserves visual perceptual quality by providing a prior unconditional score. 2) The side network steers conditional control by implicitly contributing a likelihood score. Guided by this perspective, we propose LIkelihood Score Alignment (LISA), an effective regularization method that explicitly aligns the intermediate feature of the side network with an approximated likelihood score. Specifically, we first hook features from a designated layer of the side network and project them into the score latent space by a lightweight decoder. Then, we construct an approximated likelihood score target and calculate the distance between the decoder's output and this target as an additional regularization loss. Finally, we jointly optimize the side network and decoder with both standard diffusion loss and our regularization loss. Experiments across various image/video tasks, architectures, and diffusion/flow models demonstrated that LISA can not only consistently accelerate the training convergence and improve final synthetic results, but also encourage the side network's features to be more disentangled for conditional modeling with negligible additional training cost and zero extra inference cost.

Disentangled representation learning aims to map independent factors of variation to independent representation components. On one hand, purely unsupervised approaches have proven successful on fully disentangled synthetic data, but fail to recover semantic factors from real data without strong inductive biases. On the other hand, supervised approaches are unstable and hard to scale to large attribute sets because they rely on adversarial objectives or auxiliary classifiers. We introduce XFactors, a weakly-supervised VAE framework that disentangles and provides explicit control over a chosen set of factors. Building on the Disentangled Information Bottleneck perspective, we decompose the representation into a residual subspace S and factor-specific subspaces T_1,ldots,T_K and a residual subspace S. Each target factor is encoded in its assigned T_i through contrastive supervision: an InfoNCE loss pulls together latents sharing the same factor value and pushes apart mismatched pairs. In parallel, KL regularization imposes a Gaussian structure on both S and the aggregated factor subspaces, organizing the geometry without additional supervision for non-targeted factors and avoiding adversarial training and classifiers. Across multiple datasets, with constant hyperparameters, XFactors achieves state-of-the-art disentanglement scores and yields consistent qualitative factor alignment in the corresponding subspaces, enabling controlled factor swapping via latent replacement. We further demonstrate that our method scales correctly with increasing latent capacity and evaluate it on the real-world dataset CelebA. Our code is available at https://github.com/ICML26-anon/XFactors{github.com/ICML26-anon/XFactors}.

This work tackles Weakly Supervised Anomaly detection, in which a predictor is allowed to learn not only from normal examples but also from a few labeled anomalies made available during training. In particular, we deal with the localization of anomalous activities within the video stream: this is a very challenging scenario, as training examples come only with video-level annotations (and not frame-level). Several recent works have proposed various regularization terms to address it i.e. by enforcing sparsity and smoothness constraints over the weakly-learned frame-level anomaly scores. In this work, we get inspired by recent advances within the field of self-supervised learning and ask the model to yield the same scores for different augmentations of the same video sequence. We show that enforcing such an alignment improves the performance of the model on XD-Violence.

Sparse Mixture-of-Experts (MoE) have been widely adopted in recent large language models since it can efficiently scale up the model capability without increasing the inference cost. However, evaluations on broad downstream tasks reveal a consistent suboptimality of the routers in existing MoE LLMs, which results in a severe performance gap (e.g., 10-20% in accuracy) to the optimal routing. In this paper, we show that aligning the manifold of routing weights with that of task embedding can effectively reduce the gap and improve MoE LLMs' generalization performance. Our method, "Routing Manifold Alignment (RoMA)", introduces an additional manifold regularization term in the post-training objective and only requires lightweight finetuning of routers (with other parameters frozen). Specifically, the regularization encourages the routing weights of each sample to be close to those of its successful neighbors (whose routing weights lead to correct answers) in a task embedding space. Consequently, samples targeting similar tasks will share similar expert choices across layers. Building such bindings between tasks and experts over different samples is essential to achieve better generalization. Moreover, RoMA demonstrates the advantage of unifying the task understanding (by embedding models) with solution generation (by MoE LLMs). In experiments, we finetune routers in OLMoE, DeepSeekMoE, and Qwen3-MoE using RoMA. Evaluations on diverse benchmarks and extensive comparisons with baselines show the substantial improvement brought by RoMA.

Recurrent neural networks (RNNs) are central to sequence modeling tasks, yet their high computational complexity poses challenges for scalability and real-time deployment. Traditional pruning techniques, predominantly based on weight magnitudes, often overlook the intrinsic structural properties of these networks. We introduce a novel framework that models RNNs as partially ordered sets (posets) and constructs corresponding dependency lattices. By identifying meet irreducible neurons, our lattice-based pruning algorithm selectively retains critical connections while eliminating redundant ones. The method is implemented using both binary and continuous-valued adjacency matrices to capture different aspects of network connectivity. Evaluated on the MNIST dataset, our approach exhibits a clear trade-off between sparsity and classification accuracy. Moderate pruning maintains accuracy above 98%, while aggressive pruning achieves higher sparsity with only a modest performance decline. Unlike conventional magnitude-based pruning, our method leverages the structural organization of RNNs, resulting in more effective preservation of functional connectivity and improved efficiency in multilayer networks with top-down feedback. The proposed lattice-based pruning framework offers a rigorous and scalable approach for reducing RNN complexity while sustaining robust performance, paving the way for more efficient hierarchical models in both machine learning and computational neuroscience.

We introduce a novel class of sample-based explanations we term high-dimensional representers, that can be used to explain the predictions of a regularized high-dimensional model in terms of importance weights for each of the training samples. Our workhorse is a novel representer theorem for general regularized high-dimensional models, which decomposes the model prediction in terms of contributions from each of the training samples: with positive (negative) values corresponding to positive (negative) impact training samples to the model's prediction. We derive consequences for the canonical instances of ell_1 regularized sparse models, and nuclear norm regularized low-rank models. As a case study, we further investigate the application of low-rank models in the context of collaborative filtering, where we instantiate high-dimensional representers for specific popular classes of models. Finally, we study the empirical performance of our proposed methods on three real-world binary classification datasets and two recommender system datasets. We also showcase the utility of high-dimensional representers in explaining model recommendations.

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.

Disentangled representations, where the higher level data generative factors are reflected in disjoint latent dimensions, offer several benefits such as ease of deriving invariant representations, transferability to other tasks, interpretability, etc. We consider the problem of unsupervised learning of disentangled representations from large pool of unlabeled observations, and propose a variational inference based approach to infer disentangled latent factors. We introduce a regularizer on the expectation of the approximate posterior over observed data that encourages the disentanglement. We also propose a new disentanglement metric which is better aligned with the qualitative disentanglement observed in the decoder's output. We empirically observe significant improvement over existing methods in terms of both disentanglement and data likelihood (reconstruction quality).

We introduce `dualGNN', an autoregressive message-passing GNN for sampling fine, regular triangulations (FRTs) of convex polytopes. dualGNN operates on a generalization of the dual graph of a triangulation, with edges labeled by `signed circuits' -- combinatorial invariants from oriented matroid theory which we show are both necessary and sufficient for exposing regularity. The model is independent of the number of points in the polytope and invariant under the polytope's orientation-preserving symmetries (SL(d,Z) ltimes Z^d). When implemented with a certain masking procedure, one can also guarantee that every rollout produces a fine triangulation (in 2D). On unseen polygons with N_pts leq 40, dualGNN is the most uniform FRT sampler we tested, and even a model trained on a single polygon generalizes well to other polygons. The model is small (sim92k parameters), trains in sim7.5 hours on a single consumer GPU, and runs without modification on an M1 MacBook Pro. We apply dualGNN to string theory, uniformly sampling Calabi-Yau threefolds at h^{1,1}=86 and consistent with uniformity at h^{1,1}=128. This is an order of magnitude beyond previous learned methods with a model sim1000times smaller. Code, training scripts, and pretrained models are available at https://github.com/natemacfadden/dualGNN .

Flow matching over carefully designed latent representations has recently emerged as a powerful paradigm for topology-aware mesh generation. Existing approaches, however, model vertices and connectivity jointly in a joint latent space, entangling continuous vertex geometry with discrete combinatorial structure; this complicates flow learning and manifests as drifting vertices and broken surfaces. We present LATO.2, a factorized flow matching framework that decomposes mesh generation into a vertex flow followed by a connectivity flow conditioned on the realized vertices, with both stages anchored to a shared coarse voxel scaffold. Dedicated VAEs underpin the two stages, recovering vertices at sub-voxel precision and embedding discrete connectivity into a continuous latent space. We demonstrate two advantages unique to this factorization: (i) part-wise generation, in which the scaffold is partitioned and each part synthesized at full latent capacity, yielding substantially higher-resolution meshes than a monolithic latent permits; and (ii) topology-adaptive editing, in which manipulating first-stage vertices induces the corresponding connectivity without re-optimization. Experiments show that LATO.2 surpasses state-of-the-art topology-aware mesh generators in geometric fidelity and connectivity quality.

We present FastRP, a scalable and performant algorithm for learning distributed node representations in a graph. FastRP is over 4,000 times faster than state-of-the-art methods such as DeepWalk and node2vec, while achieving comparable or even better performance as evaluated on several real-world networks on various downstream tasks. We observe that most network embedding methods consist of two components: construct a node similarity matrix and then apply dimension reduction techniques to this matrix. We show that the success of these methods should be attributed to the proper construction of this similarity matrix, rather than the dimension reduction method employed. FastRP is proposed as a scalable algorithm for network embeddings. Two key features of FastRP are: 1) it explicitly constructs a node similarity matrix that captures transitive relationships in a graph and normalizes matrix entries based on node degrees; 2) it utilizes very sparse random projection, which is a scalable optimization-free method for dimension reduction. An extra benefit from combining these two design choices is that it allows the iterative computation of node embeddings so that the similarity matrix need not be explicitly constructed, which further speeds up FastRP. FastRP is also advantageous for its ease of implementation, parallelization and hyperparameter tuning. The source code is available at https://github.com/GTmac/FastRP.

Sparse neural networks are a key factor in developing resource-efficient machine learning applications. We propose the novel and powerful sparse learning method Adaptive Regularized Training (ART) to compress dense into sparse networks. Instead of the commonly used binary mask during training to reduce the number of model weights, we inherently shrink weights close to zero in an iterative manner with increasing weight regularization. Our method compresses the pre-trained model knowledge into the weights of highest magnitude. Therefore, we introduce a novel regularization loss named HyperSparse that exploits the highest weights while conserving the ability of weight exploration. Extensive experiments on CIFAR and TinyImageNet show that our method leads to notable performance gains compared to other sparsification methods, especially in extremely high sparsity regimes up to 99.8 percent model sparsity. Additional investigations provide new insights into the patterns that are encoded in weights with high magnitudes.

Hypergraphs are a powerful abstraction for representing higher-order interactions between entities of interest. To exploit these relationships in making downstream predictions, a variety of hypergraph neural network architectures have recently been proposed, in large part building upon precursors from the more traditional graph neural network (GNN) literature. Somewhat differently, in this paper we begin by presenting an expressive family of parameterized, hypergraph-regularized energy functions. We then demonstrate how minimizers of these energies effectively serve as node embeddings that, when paired with a parameterized classifier, can be trained end-to-end via a supervised bilevel optimization process. Later, we draw parallels between the implicit architecture of the predictive models emerging from the proposed bilevel hypergraph optimization, and existing GNN architectures in common use. Empirically, we demonstrate state-of-the-art results on various hypergraph node classification benchmarks. Code is available at https://github.com/yxzwang/PhenomNN.

Quantitative susceptibility maps from magnetic resonance images can provide both prognostic and diagnostic information in multiple sclerosis, a neurodegenerative disease characterized by the formation of lesions in white matter brain tissue. In particular, susceptibility maps provide adequate contrast to distinguish between "rim" lesions, surrounded by deposited paramagnetic iron, and "non-rim" lesion types. These paramagnetic rim lesions (PRLs) are an emerging biomarker in multiple sclerosis. Much effort has been devoted to both detection and segmentation of such lesions to monitor longitudinal change. As paramagnetic rim lesions are rare, addressing this problem requires confronting the class imbalance between rim and non-rim lesions. We produce synthetic quantitative susceptibility maps of paramagnetic rim lesions and show that inclusion of such synthetic data improves classifier performance and provide a multi-channel extension to generate accompanying contrasts and probabilistic segmentation maps. We exploit the projection capability of our trained generative network to demonstrate a novel denoising approach that allows us to train on ambiguous rim cases and substantially increase the minority class. We show that both synthetic lesion synthesis and our proposed rim lesion label denoising method best approximate the unseen rim lesion distribution and improve detection in a clinically interpretable manner. We release our code and generated data at https://github.com/agr78/PRLx-GAN upon publication.

This paper proposes a novel algorithm for semisupervised learning. This algorithm learns graph cuts that maximize the margin with respect to the labels induced by the harmonic function solution. We motivate the approach, compare it to existing work, and prove a bound on its generalization error. The quality of our solutions is evaluated on a synthetic problem and three UCI ML repository datasets. In most cases, we outperform manifold regularization of support vector machines, which is a state-of-the-art approach to semi-supervised max-margin learning.

Given a signed bipartite graph (SBG) G with two disjoint node sets U and V, the goal of link sign prediction is to predict the signs of potential links connecting U and V based on known positive and negative edges in G. The majority of existing solutions towards link sign prediction mainly focus on unipartite signed graphs, which are sub-optimal due to the neglect of node heterogeneity and unique bipartite characteristics of SBGs. To this end, recent studies adapt graph neural networks to SBGs by introducing message-passing schemes for both inter-partition (UxV) and intra-partition (UxU or VxV) node pairs. However, the fundamental spectral convolutional operators were originally designed for positive links in unsigned graphs, and thus, are not optimal for inferring missing positive or negative links from known ones in SBGs. Motivated by this, this paper proposes GegenNet, a novel and effective spectral convolutional neural network model for link sign prediction in SBGs. In particular, GegenNet achieves enhanced model capacity and high predictive accuracy through three main technical contributions: (i) fast and theoretically grounded spectral decomposition techniques for node feature initialization; (ii) a new spectral graph filter based on the Gegenbauer polynomial basis; and (iii) multi-layer sign-aware spectral convolutional networks alternating Gegenbauer polynomial filters with positive and negative edges. Our extensive empirical studies reveal that GegenNet can achieve significantly superior performance (up to a gain of 4.28% in AUC and 11.69% in F1) in link sign prediction compared to 11 strong competitors over 6 benchmark SBG datasets.

Overparameterized neural networks generalize well but are expensive to train. Ideally, one would like to reduce their computational cost while retaining their generalization benefits. Sparse model training is a simple and promising approach to achieve this, but there remain challenges as existing methods struggle with accuracy loss, slow training runtime, or difficulty in sparsifying all model components. The core problem is that searching for a sparsity mask over a discrete set of sparse matrices is difficult and expensive. To address this, our main insight is to optimize over a continuous superset of sparse matrices with a fixed structure known as products of butterfly matrices. As butterfly matrices are not hardware efficient, we propose simple variants of butterfly (block and flat) to take advantage of modern hardware. Our method (Pixelated Butterfly) uses a simple fixed sparsity pattern based on flat block butterfly and low-rank matrices to sparsify most network layers (e.g., attention, MLP). We empirically validate that Pixelated Butterfly is 3x faster than butterfly and speeds up training to achieve favorable accuracy--efficiency tradeoffs. On the ImageNet classification and WikiText-103 language modeling tasks, our sparse models train up to 2.5x faster than the dense MLP-Mixer, Vision Transformer, and GPT-2 medium with no drop in accuracy.

This paper introduces a network for volumetric segmentation that learns from sparsely annotated volumetric images. We outline two attractive use cases of this method: (1) In a semi-automated setup, the user annotates some slices in the volume to be segmented. The network learns from these sparse annotations and provides a dense 3D segmentation. (2) In a fully-automated setup, we assume that a representative, sparsely annotated training set exists. Trained on this data set, the network densely segments new volumetric images. The proposed network extends the previous u-net architecture from Ronneberger et al. by replacing all 2D operations with their 3D counterparts. The implementation performs on-the-fly elastic deformations for efficient data augmentation during training. It is trained end-to-end from scratch, i.e., no pre-trained network is required. We test the performance of the proposed method on a complex, highly variable 3D structure, the Xenopus kidney, and achieve good results for both use cases.

Unsupervised anomaly detection in brain images is crucial for identifying injuries and pathologies without access to labels. However, the accurate localization of anomalies in medical images remains challenging due to the inherent complexity and variability of brain structures and the scarcity of annotated abnormal data. To address this challenge, we propose a novel approach that incorporates masking within diffusion models, leveraging their generative capabilities to learn robust representations of normal brain anatomy. During training, our model processes only normal brain MRI scans and performs a forward diffusion process in the latent space that adds noise to the features of randomly-selected patches. Following a dual objective, the model learns to identify which patches are noisy and recover their original features. This strategy ensures that the model captures intricate patterns of normal brain structures while isolating potential anomalies as noise in the latent space. At inference, the model identifies noisy patches corresponding to anomalies and generates a normal counterpart for these patches by applying a reverse diffusion process. Our method surpasses existing unsupervised anomaly detection techniques, demonstrating superior performance in generating accurate normal counterparts and localizing anomalies. The code is available at hhttps://github.com/farzad-bz/MAD-AD.