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Neural networks are widely used, yet their analysis and verification remain challenging. In this work, we present a Lean 4 formalization of neural networks, covering both deterministic and stochastic models. We first formalize Hopfield…

Machine Learning · Computer Science 2025-12-09 Matteo Cipollina , Michail Karatarakis , Freek Wiedijk

Neural networks have achieved remarkable success across various fields. However, the lack of interpretability limits their practical use, particularly in critical decision-making scenarios. Post-hoc interpretability, which provides…

Machine Learning · Computer Science 2025-11-21 Yang Ji , Ying Sun , Yuting Zhang , Zhigaoyuan Wang , Yuanxin Zhuang , Zheng Gong , Dazhong Shen , Chuan Qin , Hengshu Zhu , Hui Xiong

Neural representations are not unique objects. Even when two systems realize the same downstream computation, their hidden coordinates may differ by reparameterization. A probe family intended to reveal structure already present in a…

Machine Learning · Computer Science 2026-05-13 Su Hyeong Lee , Risi Kondor

Constitutive modeling based on continuum mechanics theory has been a classical approach for modeling the mechanical responses of materials. However, when constitutive laws are unknown or when defects and/or high degrees of heterogeneity are…

Machine Learning · Computer Science 2022-07-27 Huaiqian You , Quinn Zhang , Colton J. Ross , Chung-Hao Lee , Yue Yu

Implicit solvent models are widely used to decrease the number of solvent degrees of freedom and enable the calculation of solvation energetics without water molecules. However, its accuracy often falls short compared to explicit models.…

Chemical Physics · Physics 2026-05-15 Rishabh Dey , Salvina Sharipova , Konstantin Popov

We introduce provenance networks, a novel class of neural models designed to provide end-to-end, training-data-driven explainability. Unlike conventional post-hoc methods, provenance networks learn to link each prediction directly to its…

Computer Vision and Pattern Recognition · Computer Science 2025-10-07 Ali Kayyam , Anusha Madan Gopal , M. Anthony Lewis

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…

Numerical Analysis · Mathematics 2024-03-18 Matthias Beckmann , Nick Heilenkötter

Over-parameterized neural networks generalize well in practice without any explicit regularization. Although it has not been proven yet, empirical evidence suggests that implicit regularization plays a crucial role in deep learning and…

Machine Learning · Computer Science 2019-03-07 Masayoshi Kubo , Ryotaro Banno , Hidetaka Manabe , Masataka Minoji

Besides classical feed-forward neural networks such as multilayer perceptrons, also neural ordinary differential equations (neural ODEs) have gained particular interest in recent years. Neural ODEs can be interpreted as an infinite depth…

Dynamical Systems · Mathematics 2026-02-11 Christian Kuehn , Sara-Viola Kuntz

Deep Equilibrium Model (DEQ), which serves as a typical implicit neural network, emphasizes their memory efficiency and competitive performance compared to explicit neural networks. However, there has been relatively limited theoretical…

Machine Learning · Computer Science 2024-12-05 Haixiang Sun , Ye Shi

Network embedding has recently attracted lots of attentions in data mining. Existing network embedding methods mainly focus on networks with pairwise relationships. In real world, however, the relationships among data points could go beyond…

Social and Information Networks · Computer Science 2018-02-01 Ke Tu , Peng Cui , Xiao Wang , Fei Wang , Wenwu Zhu

Modern neural networks tend to be overconfident on unseen, noisy or incorrectly labelled data and do not produce meaningful uncertainty measures. Bayesian deep learning aims to address this shortcoming with variational approximations (such…

Machine Learning · Statistics 2018-05-28 Nick Pawlowski , Andrew Brock , Matthew C. H. Lee , Martin Rajchl , Ben Glocker

Deep Equilibrium Models (DEQs) have emerged as a powerful paradigm in deep learning, offering the ability to model infinite-depth networks with constant memory usage. However, DEQs incur significant inference latency due to the iterative…

Machine Learning · Computer Science 2026-02-04 Junchao Lin , Zenan Ling , Jingwen Xu , Robert C. Qiu

Self-explainable deep neural networks are a recent class of models that can output ante-hoc local explanations that are faithful to the model's reasoning, and as such represent a step forward toward filling the gap between expressiveness…

Machine Learning · Computer Science 2023-08-30 Marc Christiansen , Lea Villadsen , Zhiqiang Zhong , Stefano Teso , Davide Mottin

Deep neural networks have become invaluable tools for supervised machine learning, e.g., classification of text or images. While often offering superior results over traditional techniques and successfully expressing complicated patterns in…

Machine Learning · Computer Science 2019-02-19 Eldad Haber , Lars Ruthotto

The aim of this work is to enable inference of deep networks that retain high accuracy for the least possible model complexity, with the latter deduced from the data during inference. To this end, we revisit deep networks that comprise…

Machine Learning · Computer Science 2019-05-07 Konstantinos P. Panousis , Sotirios Chatzis , Sergios Theodoridis

A recent analysis of a model of iterative neural network in Hilbert spaces established fundamental properties of such networks, such as existence of the fixed points sets, convergence analysis, and Lipschitz continuity. Building on these…

Machine Learning · Computer Science 2019-08-20 Tomasz Piotrowski , Krzysztof Rykaczewski

Many supervised machine learning methods are naturally cast as optimization problems. For prediction models which are linear in their parameters, this often leads to convex problems for which many mathematical guarantees exist. Models which…

Machine Learning · Computer Science 2021-10-18 Francis Bach , Lenaïc Chizat

The central purpose of this article is to establish new inverse and implicit function theorems for differentiable maps with isolated critical points. One of the key ingredients is a discovery of the fact that differentiable maps with…

Classical Analysis and ODEs · Mathematics 2021-04-02 Liangpan Li

In recent years, nonlinear dynamic system identification using artificial neural networks has garnered attention due to its broad potential applications across science and engineering. However, purely data-driven approaches often struggle…

Machine Learning · Computer Science 2025-11-06 Fabian J. Roth , Dominik K. Klein , Maximilian Kannapinn , Jan Peters , Oliver Weeger