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We propose a machine learning framework to accelerate numerical computations of time-dependent ODEs and PDEs. Our method is based on recasting (generalizations of) existing numerical methods as artificial neural networks, with a set of…

Numerical Analysis · Mathematics 2019-03-08 Siddhartha Mishra

We present and analyze a framework for designing symplectic neural networks (SympNets) based on geometric integrators for Hamiltonian differential equations. The SympNets are universal approximators in the space of Hamiltonian…

Machine Learning · Computer Science 2024-08-20 Benjamin K Tapley

Quantum Monte-Carlo simulations of hybrid quantum-classical models such as the double exchange Hamiltonian require calculating the density of states of the quantum degrees of freedom at every step. Unfortunately, the computational…

Computational Physics · Physics 2022-11-23 Georgios Stratis , Phillip Weinberg , Tales Imbiriba , Pau Closas , Adrian E. Feiguin

Training deep neural networks (DNNs) efficiently is a challenge due to the associated highly nonconvex optimization. The backpropagation (backprop) algorithm has long been the most widely used algorithm for gradient computation of…

Machine Learning · Statistics 2018-03-28 Tim Tsz-Kit Lau , Jinshan Zeng , Baoyuan Wu , Yuan Yao

Bilevel optimization has arisen as a powerful tool in modern machine learning. However, due to the nested structure of bilevel optimization, even gradient-based methods require second-order derivative approximations via Jacobian- or/and…

Machine Learning · Computer Science 2022-06-07 Daouda Sow , Kaiyi Ji , Yingbin Liang

This paper reduces the cost of DNNs training by decreasing the amount of data movement across heterogeneous architectures composed of several GPUs and multicore CPU devices. In particular, this paper proposes an algorithm to dynamically…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-04-07 Sicong Zhuang , Cristiano Malossi , Marc Casas

Recent advances in deep neural networks (DNNs) owe their success to training algorithms that use backpropagation and gradient-descent. Backpropagation, while highly effective on von Neumann architectures, becomes inefficient when scaling to…

Neural and Evolutionary Computing · Computer Science 2019-05-10 Brian Crafton , Abhinav Parihar , Evan Gebhardt , Arijit Raychowdhury

We present a new Subset Simulation approach using Hamiltonian neural network-based Monte Carlo sampling for reliability analysis. The proposed strategy combines the superior sampling of the Hamiltonian Monte Carlo method with…

Machine Learning · Statistics 2024-01-11 Denny Thaler , Somayajulu L. N. Dhulipala , Franz Bamer , Bernd Markert , Michael D. Shields

While backpropagation--reverse-mode automatic differentiation--has been extraordinarily successful in deep learning, it requires two passes (forward and backward) through the neural network and the storage of intermediate activations.…

Machine Learning · Computer Science 2025-11-06 Daniel Wang , Evan Markou , Dylan Campbell

In this work, we propose a meta-learner based on ODE neural networks that learns gradients. This approach makes the optimizer is more flexible inducing an automatic inductive bias to the given task. Using the simplest Hamiltonian Neural…

Machine Learning · Computer Science 2021-11-02 Aleksandr Timofeev , Andrei Afonin , Yehao Liu

We review several of the most widely used techniques for training recurrent neural networks to approximate dynamical systems, then describe a novel algorithm for this task. The algorithm is based on an earlier theoretical result that…

Neural and Evolutionary Computing · Computer Science 2016-06-09 Adam Trischler , Gabriele MT D'Eleuterio

Deep Neural Networks (DNNs) are typically trained by backpropagation in a batch learning setting, which requires the entire training data to be made available prior to the learning task. This is not scalable for many real-world scenarios…

Machine Learning · Computer Science 2017-11-13 Doyen Sahoo , Quang Pham , Jing Lu , Steven C. H. Hoi

We present an approach to adaptively utilize deep neural networks in order to reduce the evaluation time on new examples without loss of accuracy. Rather than attempting to redesign or approximate existing networks, we propose two schemes…

Machine Learning · Computer Science 2017-09-20 Tolga Bolukbasi , Joseph Wang , Ofer Dekel , Venkatesh Saligrama

Recent advances unveiled physical neural networks as promising machine learning platforms, offering faster and more energy-efficient information processing. Compared with extensively-studied optical neural networks, the development of…

Machine Learning · Computer Science 2024-04-25 Shuaifeng Li , Xiaoming Mao

We address the challenge of estimating the learning rate for adaptive gradient methods used in training deep neural networks. While several learning-rate-free approaches have been proposed, they are typically tailored for steepest descent.…

Machine Learning · Computer Science 2024-01-09 Min-Kook Suh , Seung-Woo Seo

The slow convergence rate and pathological curvature issues of first-order gradient methods for training deep neural networks, initiated an ongoing effort for developing faster $\mathit{second}$-$\mathit{order}$ optimization algorithms…

Machine Learning · Computer Science 2020-12-10 Jan van den Brand , Binghui Peng , Zhao Song , Omri Weinstein

Many applications, such as optimization, uncertainty quantification and inverse problems, require repeatedly performing simulations of large-dimensional physical systems for different choices of parameters. This can be prohibitively…

Machine Learning · Computer Science 2023-12-18 Benedikt Brantner , Michael Kraus

In a series of recent theoretical works, it was shown that strongly over-parameterized neural networks trained with gradient-based methods could converge exponentially fast to zero training loss, with their parameters hardly varying. In…

Optimization and Control · Mathematics 2020-01-08 Lenaic Chizat , Edouard Oyallon , Francis Bach

We present a simple linear regression based approach for learning the weights and biases of a neural network, as an alternative to standard gradient based backpropagation. The present work is exploratory in nature, and we restrict the…

Machine Learning · Computer Science 2023-07-17 Harshad Khadilkar

We present multiplexed gradient descent (MGD), a gradient descent framework designed to easily train analog or digital neural networks in hardware. MGD utilizes zero-order optimization techniques for online training of hardware neural…

Machine Learning · Computer Science 2023-08-17 Adam N. McCaughan , Bakhrom G. Oripov , Natesh Ganesh , Sae Woo Nam , Andrew Dienstfrey , Sonia M. Buckley