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Laplacian regularized stratified models (LRSM) are models that utilize the explicit or implicit network structure of the sub-problems as defined by the categorical features called strata (e.g., age, region, time, forecast horizon, etc.),…

Machine Learning · Statistics 2023-05-05 Ziheng Cheng , Junzi Zhang , Akshay Agrawal , Stephen Boyd

A striking geometric disparity has long persisted in the practice of deep learning. While modern neural network architectures naturally exhibit rich symmetry and equivariance properties, popular optimizers such as Adam and its variants…

Optimization and Control · Mathematics 2026-05-27 Tim Tsz-Kit Lau , Weijie Su

Equivariant Graph Neural Networks (GNNs) are essential for physically consistent molecular simulations but suffer from high computational costs and memory bottlenecks, especially with high-order representations. While low-bit quantization…

Machine Learning · Computer Science 2026-03-17 Haoyu Zhou , Ping Xue , Hao Zhang , Tianfan Fu

Most Graph Neural Networks (GNNs) operate at the first-order scale, even though multi-scale representations are known to be crucial in domains such as image classification. In this work, we investigate whether GNNs can similarly benefit…

Machine Learning · Computer Science 2026-04-15 Qin Jiang , Chengjia Wang , Michael Lones , Dongdong Chen , Wei Pang

The inclusion of symmetries as an inductive bias, known as equivariance, often improves generalization on geometric data (e.g. grids, sets, and graphs). However, equivariant architectures are usually highly constrained, designed for…

Machine Learning · Computer Science 2026-03-23 Abhinav Goel , Derek Lim , Hannah Lawrence , Stefanie Jegelka , Ningyuan Huang

This paper presents a novel approach to neural network pruning by integrating a graph-based observation space into an AutoML framework to address the limitations of existing methods. Traditional pruning approaches often depend on…

Machine Learning · Computer Science 2025-09-16 Dieter Balemans , Thomas Huybrechts , Jan Steckel , Siegfried Mercelis

Graph neural networks (GNNs) have struggled to outperform traditional optimization methods on combinatorial problems, limiting their practical impact. We address this gap by introducing a novel chaining procedure for the graph alignment…

Machine Learning · Computer Science 2025-10-06 Marc Lelarge

Learning to learn has emerged as an important direction for achieving artificial intelligence. Two of the primary barriers to its adoption are an inability to scale to larger problems and a limited ability to generalize to new tasks. We…

Several distributed frameworks have been developed to scale Graph Neural Networks (GNNs) on billion-size graphs. On several benchmarks, we observe that the graph partitions generated by these frameworks have heterogeneous data distributions…

Machine Learning · Computer Science 2023-11-07 Dhruv Deshmukh , Gagan Raj Gupta , Manisha Chawla , Vishwesh Jatala , Anirban Haldar

Graph Neural Networks (GNN) can capture the geometric properties of neural representations in EEG data. Here we utilise those to study how reinforcement-based motor learning affects neural activity patterns during motor planning, leveraging…

Machine Learning · Computer Science 2024-11-01 Federico Nardi , Jinpei Han , Shlomi Haar , A. Aldo Faisal

Fairness-aware Graph Neural Networks (GNNs) often face a challenging trade-off, where prioritizing fairness may require compromising utility. In this work, we re-examine fairness through the lens of spectral graph theory, aiming to…

Machine Learning · Computer Science 2024-08-14 Renqiang Luo , Huafei Huang , Shuo Yu , Zhuoyang Han , Estrid He , Xiuzhen Zhang , Feng Xia

Many successful deep learning architectures are equivariant to certain transformations in order to conserve parameters and improve generalization: most famously, convolution layers are equivariant to shifts of the input. This approach only…

Machine Learning · Computer Science 2021-03-31 Allan Zhou , Tom Knowles , Chelsea Finn

Symmetry-aware methods for machine learning, such as data augmentation and equivariant architectures, encourage correct model behavior on all transformations (e.g. rotations or permutations) of the original dataset. These methods can…

Machine Learning · Computer Science 2026-03-31 Hannah Lawrence , Elyssa Hofgard , Vasco Portilheiro , Yuxuan Chen , Tess Smidt , Robin Walters

Equivariance of neural networks to transformations helps to improve their performance and reduce generalization error in computer vision tasks, as they apply to datasets presenting symmetries (e.g. scalings, rotations, translations). The…

Computer Vision and Pattern Recognition · Computer Science 2022-11-08 Mateus Sangalli , Samy Blusseau , Santiago Velasco-Forero , Jesus Angulo

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

In recent years, graph neural networks (GNNs) have been widely applied in tackling combinatorial optimization problems. However, existing methods still suffer from limited accuracy when addressing that on complex graphs and exhibit poor…

Machine Learning · Computer Science 2025-11-13 Yuyao Long

Entity alignment aims to use pre-aligned seed pairs to find other equivalent entities from different knowledge graphs (KGs) and is widely used in graph fusion-related fields. However, as the scale of KGs increases, manually annotating…

Computation and Language · Computer Science 2025-03-28 Tao Meng , Shuo Shan , Hongen Shao , Yuntao Shou , Wei Ai , Keqin Li

While Sharpness-Aware Minimization (SAM) improves generalization in deep neural networks by minimizing both loss and sharpness, it suffers from inefficiency in distributed large-batch training. We present Landscape-Smoothed SAM (LSAM), a…

Machine Learning · Computer Science 2025-09-04 Yunfei Teng , Sixin Zhang

The translation equivariance of convolutions can make convolutional neural networks translation equivariant or invariant. Equivariance to other transformations (e.g. rotations, affine transformations, scalings) may also be desirable as soon…

Signal Processing · Electrical Eng. & Systems 2021-05-05 Mateus Sangalli , Samy Blusseau , Santiago Velasco-Forero , Jesus Angulo

Recent works have highlighted scale invariance or symmetry that is present in the weight space of a typical deep network and the adverse effect that it has on the Euclidean gradient based stochastic gradient descent optimization. In this…

Machine Learning · Computer Science 2015-11-10 Vijay Badrinarayanan , Bamdev Mishra , Roberto Cipolla