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Neural networks are trained by choosing an architecture and training the parameters. The choice of architecture is often by trial and error or with Neural Architecture Search (NAS) methods. While NAS provides some automation, it often…

机器学习 · 计算机科学 2024-10-14 Zitong Huang , Mansooreh Montazerin , Ajitesh Srivastava

(Non-)robustness of neural networks to small, adversarial pixel-wise perturbations, and as more recently shown, to even random spatial transformations (e.g., translations, rotations) entreats both theoretical and empirical understanding.…

机器学习 · 计算机科学 2021-11-11 Sandesh Kamath , Amit Deshpande , K V Subrahmanyam , Vineeth N Balasubramanian

Most current deep learning models equivariant to $O(n)$ or $SO(n)$ either consider mostly scalar information such as distances and angles or have a very high computational complexity. In this work, we test a few novel message passing graph…

机器学习 · 计算机科学 2024-07-11 Cong Liu , David Ruhe , Patrick Forré

In recent years, deep learning techniques have shown great success in various tasks related to inverse problems, where a target quantity of interest can only be observed through indirect measurements by a forward operator. Common approaches…

数值分析 · 数学 2024-03-18 Matthias Beckmann , Nick Heilenkötter

Existing Neural Architecture Search (NAS) methods either encode neural architectures using discrete encodings that do not scale well, or adopt supervised learning-based methods to jointly learn architecture representations and optimize…

计算机视觉与模式识别 · 计算机科学 2020-10-27 Shen Yan , Yu Zheng , Wei Ao , Xiao Zeng , Mi Zhang

We construct and evaluate group-equivariant neural networks for the prediction of the two-dimensional $Q$-tensor order parameter of nematic liquid crystals from synthetically generated microscopic textures. Seven architectures, equivariant…

软凝聚态物质 · 物理学 2026-05-28 Julia Navarro , Mark Wilkinson

Equivariant networks have been adopted in many 3-D learning areas. Here we identify a fundamental limitation of these networks: their ambiguity to symmetries. Equivariant networks cannot complete symmetry-dependent tasks like segmenting a…

计算机视觉与模式识别 · 计算机科学 2022-11-01 Sidhika Balachandar , Adrien Poulenard , Congyue Deng , Leonidas Guibas

A novel comparison is presented of the effect of optimiser choice on the accuracy of physics-informed neural networks (PINNs). To give insight into why some optimisers are better, a new approach is proposed that tracks the training…

机器学习 · 计算机科学 2023-03-28 Nayara Fonseca , Veronica Guidetti , Will Trojak

We address the problem of determining correspondences between two images in agreement with a geometric model such as an affine or thin-plate spline transformation, and estimating its parameters. The contributions of this work are…

计算机视觉与模式识别 · 计算机科学 2017-04-17 Ignacio Rocco , Relja Arandjelović , Josef Sivic

Capsule networks are constrained by the parameter-expensive nature of their layers, and the general lack of provable equivariance guarantees. We present a variation of capsule networks that aims to remedy this. We identify that learning all…

机器学习 · 计算机科学 2019-09-27 Sairaam Venkatraman , S. Balasubramanian , R. Raghunatha Sarma

Equivariant models leverage prior knowledge on symmetries to improve predictive performance, but misspecified architectural constraints can harm it instead. While work has explored learning or relaxing constraints, selecting among…

机器学习 · 计算机科学 2025-07-16 Putri A. van der Linden , Alexander Timans , Dharmesh Tailor , Erik J. Bekkers

We present a genetic algorithm framework for automatically discovering deep learning optimization algorithms. Our approach encodes optimizers as genomes that specify combinations of primitive update terms (gradient, momentum, RMS…

神经与进化计算 · 计算机科学 2025-12-16 Mitchell Marfinetz

Muon, a recently proposed optimizer that leverages the inherent matrix structure of neural network parameters, has demonstrated strong empirical performance, indicating its potential as a successor to standard optimizers such as AdamW. This…

机器学习 · 计算机科学 2025-11-24 Naoki Sato , Hiroki Naganuma , Hideaki Iiduka

This paper introduces the Neural Differential Manifold (NDM), a novel neural network architecture that explicitly incorporates geometric structure into its fundamental design. Departing from conventional Euclidean parameter spaces, the NDM…

机器学习 · 计算机科学 2025-10-30 Di Zhang

While both shape and texture are fundamental to visual recognition, research on deep neural networks (DNNs) has predominantly focused on the latter, leaving their geometric understanding poorly probed. Here, we show: first, that optimized…

计算机视觉与模式识别 · 计算机科学 2025-11-10 Jian Wang , Yixing Yong , Haixia Bi , Lijun He , Fan Li

Soft, porous mechanical metamaterials exhibit pattern transformations that may have important applications in soft robotics, sound reduction and biomedicine. To design these innovative materials, it is important to be able to simulate them…

软凝聚态物质 · 物理学 2025-03-14 Fleur Hendriks , Vlado Menkovski , Martin Doškář , Marc G. D. Geers , Ondřej Rokoš

Equivariant networks are specifically designed to ensure consistent behavior with respect to a set of input transformations, leading to higher sample efficiency and more accurate and robust predictions. However, redesigning each component…

Equivariant neural networks (ENNs) are graph neural networks embedded in $\mathbb{R}^3$ and are well suited for predicting molecular properties. The ENN library e3nn has customizable convolutions, which can be designed to depend only on…

机器学习 · 计算机科学 2020-11-25 Benjamin Kurt Miller , Mario Geiger , Tess E. Smidt , Frank Noé

Deep neural networks lack straightforward ways to incorporate domain knowledge and are notoriously considered black boxes. Prior works attempted to inject domain knowledge into architectures implicitly through data augmentation. Building on…

机器学习 · 计算机科学 2022-11-18 Emmanouil Theodosis , Demba Ba

Optimizing and certifying the positivity of polynomials are fundamental primitives across mathematics and engineering applications, from dynamical systems to operations research. However, solving these problems in practice requires large…

机器学习 · 计算机科学 2023-12-05 Hannah Lawrence , Mitchell Tong Harris
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