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Graph convolutional networks (GCNs) are \emph{discriminative models} that directly model the class posterior $p(y|\mathbf{x})$ for semi-supervised classification of graph data. While being effective, as a representation learning approach,…

Machine Learning · Computer Science 2023-05-30 Tianchun Wang , Farzaneh Mirzazadeh , Xiang Zhang , Jie Chen

Graph Neural Networks (GNNs) are the dominant architecture for molecular machine learning, particularly for molecular property prediction and machine learning interatomic potentials (MLIPs). GNNs perform message passing on predefined graphs…

Machine Learning · Computer Science 2025-10-03 Tobias Kreiman , Yutong Bai , Fadi Atieh , Elizabeth Weaver , Eric Qu , Aditi S. Krishnapriyan

Steerable convolutional neural networks (SCNNs) enhance task performance by modelling geometric symmetries through equivariance constraints on weights. Yet, unknown or varying symmetries can lead to overconstrained weights and decreased…

Machine Learning · Computer Science 2025-05-09 Lars Veefkind , Gabriele Cesa

Mathematically characterizing the implicit regularization induced by gradient-based optimization is a longstanding pursuit in the theory of deep learning. A widespread hope is that a characterization based on minimization of norms may…

Machine Learning · Computer Science 2020-10-20 Noam Razin , Nadav Cohen

Regular group convolutional neural networks (G-CNNs) have been shown to increase model performance and improve equivariance to different geometrical symmetries. This work addresses the problem of SE(3), i.e., roto-translation equivariance,…

Computer Vision and Pattern Recognition · Computer Science 2023-07-21 Thijs P. Kuipers , Erik J. Bekkers

Automatic tumor or lesion segmentation is a crucial step in medical image analysis for computer-aided diagnosis. Although the existing methods based on Convolutional Neural Networks (CNNs) have achieved the state-of-the-art performance,…

Image and Video Processing · Electrical Eng. & Systems 2022-08-01 Shuchao Pang , Anan Du , Mehmet A. Orgun , Yan Wang , Quan Z. Sheng , Shoujin Wang , Xiaoshui Huang , Zhenmei Yu

An important goal in visual recognition is to devise image representations that are invariant to particular transformations. In this paper, we address this goal with a new type of convolutional neural network (CNN) whose invariance is…

Computer Vision and Pattern Recognition · Computer Science 2015-01-08 Julien Mairal , Piotr Koniusz , Zaid Harchaoui , Cordelia Schmid

Graph Neural Networks (GNNs) have shown satisfying performance in various graph analytical problems. Hence, they have become the \emph{de facto} solution in a variety of decision-making scenarios. However, GNNs could yield biased results…

Machine Learning · Computer Science 2022-06-27 Yushun Dong , Song Wang , Yu Wang , Tyler Derr , Jundong Li

Implicit neural networks have become increasingly attractive in the machine learning community since they can achieve competitive performance but use much less computational resources. Recently, a line of theoretical works established the…

Machine Learning · Computer Science 2022-10-03 Tianxiang Gao , Hongyang Gao

Machine learning methods are commonly used to solve inverse problems, wherein an unknown signal must be estimated from few indirect measurements generated via a known acquisition procedure. In particular, neural networks perform well…

Machine Learning · Computer Science 2025-12-05 Hannah Laus , Suzanna Parkinson , Vasileios Charisopoulos , Felix Krahmer , Rebecca Willett

The principle of equivariance to symmetry transformations enables a theoretically grounded approach to neural network architecture design. Equivariant networks have shown excellent performance and data efficiency on vision and medical…

Machine Learning · Computer Science 2019-05-15 Taco S. Cohen , Maurice Weiler , Berkay Kicanaoglu , Max Welling

Background. A main theoretical puzzle is why over-parameterized Neural Networks (NNs) generalize well when trained to zero loss (i.e., so they interpolate the data). Usually, the NN is trained with Stochastic Gradient Descent (SGD) or one…

Machine Learning · Computer Science 2025-02-18 Gon Buzaglo , Itamar Harel , Mor Shpigel Nacson , Alon Brutzkus , Nathan Srebro , Daniel Soudry

Group symmetry is inherent in a wide variety of data distributions. Data processing that preserves symmetry is described as an equivariant map and often effective in achieving high performance. Convolutional neural networks (CNNs) have been…

Machine Learning · Statistics 2020-12-29 Wataru Kumagai , Akiyoshi Sannai

This paper presents a novel framework combining group equivariant convolutional neural networks (G-CNNs) with equivariant-aware structured pruning to produce compact, transformation-invariant models for resource-constrained environments.…

Computer Vision and Pattern Recognition · Computer Science 2025-11-24 Mohammed Alnemari

Graph-structured data are pervasive in the real-world such as social networks, molecular graphs and transaction networks. Graph neural networks (GNNs) have achieved great success in representation learning on graphs, facilitating various…

Machine Learning · Computer Science 2025-02-27 Zhimeng Guo , Teng Xiao , Zongyu Wu , Charu Aggarwal , Hui Liu , Suhang Wang

Linear programming has played a crucial role in shaping decision-making, resource allocation, and cost reduction in various domains. In this paper, we investigate the application of overparametrized neural networks and their implicit bias…

Optimization and Control · Mathematics 2023-10-05 Haoyue Wang , Promit Ghosal , Rahul Mazumder

Recent works show that group equivariance as an inductive bias improves neural network performance for both classification and generation. However, designing group-equivariant neural networks is challenging when the group of interest is…

Machine Learning · Computer Science 2021-06-09 Sourya Basu , Akshayaa Magesh , Harshit Yadav , Lav R. Varshney

We develop exact representations of training two-layer neural networks with rectified linear units (ReLUs) in terms of a single convex program with number of variables polynomial in the number of training samples and the number of hidden…

Machine Learning · Computer Science 2020-08-18 Mert Pilanci , Tolga Ergen

In the pursuit of explaining implicit regularization in deep learning, prominent focus was given to matrix and tensor factorizations, which correspond to simplified neural networks. It was shown that these models exhibit an implicit…

Machine Learning · Computer Science 2022-09-20 Noam Razin , Asaf Maman , Nadav Cohen

There has been much recent interest in designing neural networks (NNs) with relaxed equivariance, which interpolate between exact equivariance and full flexibility for consistent performance gains. In a separate line of work, structured…

Machine Learning · Statistics 2025-04-21 Ashwin Samudre , Mircea Petrache , Brian D. Nord , Shubhendu Trivedi