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Deep learning is currently the subject of intensive study. However, fundamental concepts such as representations are not formally defined -- researchers "know them when they see them" -- and there is no common language for describing and…

Machine Learning · Computer Science 2015-09-30 David Balduzzi

Optimization theory serves as a pivotal scientific instrument for achieving optimal system performance, with its origins in economic applications to identify the best investment strategies for maximizing benefits. Over the centuries, from…

Machine Learning · Computer Science 2024-09-10 Yuhan Ma , Dan Sun , Erdi Gao , Ningjing Sang , Iris Li , Guanming Huang

The application of deep learning toward discovery of data-driven models requires careful application of inductive biases to obtain a description of physics which is both accurate and robust. We present here a framework for discovering…

Computational Physics · Physics 2020-12-02 Ravi G. Patel , Nathaniel A. Trask , Mitchell A. Wood , Eric C. Cyr

We apply the physics-learning duality to molecular systems by complementing the physical description of interacting particles with a dual learning description, where each particle is modeled as an agent minimizing a loss function. In the…

Chemical Physics · Physics 2025-04-30 Yaroslav Gusev , Vitaly Vanchurin

The regularization and output consistency behavior of dropout and layer-wise pretraining for learning deep networks have been fairly well studied. However, our understanding of how the asymptotic convergence of backpropagation in deep…

Machine Learning · Computer Science 2017-02-23 Vamsi K Ithapu , Sathya N Ravi , Vikas Singh

The paper surveys recent progresses in understanding the dynamics and loss landscape of the gradient flow equations associated to deep linear neural networks, i.e., the gradient descent training dynamics (in the limit when the step size…

Machine Learning · Computer Science 2025-11-14 Joel Wendin , Claudio Altafini

Physics-informed neural networks have been widely applied to learn general parametric solutions of differential equations. Here, we propose a neural network to discover parametric eigenvalue and eigenfunction surfaces of quantum systems. We…

Machine Learning · Computer Science 2022-11-22 Marios Mattheakis , Gabriel R. Schleder , Daniel T. Larson , Efthimios Kaxiras

We perform a comprehensive numerical study of the effect of approximation-theoretical results for neural networks on practical learning problems in the context of numerical analysis. As the underlying model, we study the…

Numerical Analysis · Mathematics 2020-04-28 Moritz Geist , Philipp Petersen , Mones Raslan , Reinhold Schneider , Gitta Kutyniok

Deterministic neural nets have been shown to learn effective predictors on a wide range of machine learning problems. However, as the standard approach is to train the network to minimize a prediction loss, the resultant model remains…

Machine Learning · Computer Science 2018-11-02 Murat Sensoy , Lance Kaplan , Melih Kandemir

By and large the process of learning concepts that are embedded in time is regarded as quite a mature research topic. Hidden Markov models, recurrent neural networks are, amongst others, successful approaches to learning from temporal data.…

Machine Learning · Computer Science 2019-07-16 Alessandro Betti , Marco Gori

Deep neural networks (DNNs) have achieved remarkable empirical success, yet the absence of a principled theoretical foundation continues to hinder their systematic development. In this survey, we present differential equations as a…

Artificial Intelligence · Computer Science 2026-03-20 Hongjue Zhao , Yizhuo Chen , Yuchen Wang , Hairong Qi , Lui Sha , Tarek Abdelzaher , Huajie Shao

We investigate the use of discrete and continuous versions of physics-informed neural network methods for learning unknown dynamics or constitutive relations of a dynamical system. For the case of unknown dynamics, we represent all the…

Machine Learning · Computer Science 2019-04-11 Ramakrishna Tipireddy , Paris Perdikaris , Panos Stinis , Alexandre Tartakovsky

The inverse problem of supervised reconstruction of depth-variable (time-dependent) parameters in a neural ordinary differential equation (NODE) is considered, that means finding the weights of a residual network with time continuous…

Machine Learning · Computer Science 2022-02-14 George Baravdish , Gabriel Eilertsen , Rym Jaroudi , B. Tomas Johansson , Lukáš Malý , Jonas Unger

We show that the error achievable using physics-informed neural networks for solving systems of differential equations can be substantially reduced when these networks are trained using meta-learned optimization methods rather than to using…

Machine Learning · Computer Science 2023-03-15 Alex Bihlo

We use differential equations based approaches to provide some {\it \textbf{physics}} insights into analyzing the dynamics of popular optimization algorithms in machine learning. In particular, we study gradient descent, proximal gradient…

Machine Learning · Computer Science 2018-10-26 Lin F. Yang , R. Arora , V. Braverman , Tuo Zhao

Neural networks have been very successful in many applications; we often, however, lack a theoretical understanding of what the neural networks are actually learning. This problem emerges when trying to generalise to new data sets. The…

Classical Analysis and ODEs · Mathematics 2022-11-22 Matthew Thorpe , Yves van Gennip

We develop a general approach to distill symbolic representations of a learned deep model by introducing strong inductive biases. We focus on Graph Neural Networks (GNNs). The technique works as follows: we first encourage sparse latent…

Machine Learning · Computer Science 2020-11-19 Miles Cranmer , Alvaro Sanchez-Gonzalez , Peter Battaglia , Rui Xu , Kyle Cranmer , David Spergel , Shirley Ho

We introduce a unified framework -- Quantum Neural Ordinary and Partial Differential Equations (QNODEs and QNPDEs) -- which extends the continuous-time formalism of classical neural ordinary and partial differential equations into quantum…

Quantum Physics · Physics 2026-01-13 Yu Cao , Shi Jin , Nana Liu

Deep Neural Networks (DNNs) rely on inherent fluctuations in their internal parameters (weights and biases) to effectively navigate the complex optimization landscape and achieve robust performance. While these fluctuations are recognized…

Machine Learning · Computer Science 2025-11-14 Darsh Pareek , Umesh Kumar , Ruthu Rao , Ravi Janjam

Deep-learning density functional theory (DFT) shows great promise to significantly accelerate material discovery and potentially revolutionize materials research. However, current research in this field primarily relies on data-driven…

Computational Physics · Physics 2024-08-14 Yang Li , Zechen Tang , Zezhou Chen , Minghui Sun , Boheng Zhao , He Li , Honggeng Tao , Zilong Yuan , Wenhui Duan , Yong Xu
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