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Physics-inspired neural networks (NNs), such as Hamiltonian or Lagrangian NNs, dramatically outperform other learned dynamics models by leveraging strong inductive biases. These models, however, are challenging to apply to many real world…

Machine Learning · Computer Science 2022-02-15 Nate Gruver , Marc Finzi , Samuel Stanton , Andrew Gordon Wilson

We use reinforcement learning to learn tree-structured neural networks for computing representations of natural language sentences. In contrast with prior work on tree-structured models in which the trees are either provided as input or…

Computation and Language · Computer Science 2016-11-29 Dani Yogatama , Phil Blunsom , Chris Dyer , Edward Grefenstette , Wang Ling

Developing accurate and efficient coarse-grained representations of proteins is crucial for understanding their folding, function, and interactions over extended timescales. Our methodology involves simulating proteins with molecular…

Biomolecules · Quantitative Biology 2023-10-11 Carles Navarro , Maciej Majewski , Gianni de Fabritiis

With economic development, the complexity of infrastructure has increased drastically. Similarly, with the shift from fossil fuels to renewable sources of energy, there is a dire need for such systems that not only predict and forecast with…

Artificial Intelligence · Computer Science 2024-12-04 Hallah Shahid Butt , Benjamin Schäfer

A particle filtering approach is suggested for the training of multi-layer neural networks without utilizing gradients calculation. The network weights are considered to be the components of the estimated state-vector of a noise driven…

Optimization and Control · Mathematics 2020-10-13 Isaac Yaesh , Natan Grinfeld

In an era increasingly focused on green computing and explainable AI, revisiting traditional approaches in theoretical and phenomenological particle physics is paramount. This project evaluates various machine learning (ML)…

High Energy Physics - Phenomenology · Physics 2025-04-30 Vasileios Vatellis

Physics-informed neural networks (PINNs) are demonstrating remarkable promise in integrating physical models with gappy and noisy observational data, but they still struggle in cases where the target functions to be approximated exhibit…

Machine Learning · Computer Science 2021-06-16 Sifan Wang , Hanwen Wang , Paris Perdikaris

Neural Network Potentials (NNPs) have emerged as a powerful tool for modelling atomic interactions with high accuracy and computational efficiency. Recently, denoising diffusion models have shown promise in NNPs by training networks to…

Machine Learning · Computer Science 2025-04-07 Liam Harcombe , Timothy T. Duignan

Surrogate modeling is used to replace computationally expensive simulations. Neural networks have been widely applied as surrogate models that enable efficient evaluations over complex physical systems. Despite this, neural networks are…

Machine Learning · Computer Science 2024-02-13 Hao Chen , Gonzalo E. Constante Flores , Can Li

We introduce FENNIX (Force-Field-Enhanced Neural Network InteraXions), a hybrid approach between machine-learning and force-fields. We leverage state-of-the-art equivariant neural networks to predict local energy contributions and multiple…

Chemical Physics · Physics 2024-07-23 Thomas Plé , Louis Lagardère , Jean-Philip Piquemal

Deep learning uses neural networks which are parameterised by their weights. The neural networks are usually trained by tuning the weights to directly minimise a given loss function. In this paper we propose to re-parameterise the weights…

Neural and Evolutionary Computing · Computer Science 2022-03-14 Michael Fairbank , Spyridon Samothrakis , Luca Citi

This paper presents the background material required for the Learning to Run Power Networks Challenge. The challenge is focused on using Reinforcement Learning to train an agent to manage the real-time operations of a power grid, balancing…

Signal Processing · Electrical Eng. & Systems 2020-03-17 Adrian Kelly , Aidan O'Sullivan , Patrick de Mars , Antoine Marot

We study the problem of online model selection in reinforcement learning, where the selector has access to a class of reinforcement learning agents and learns to adaptively select the agent with the right configuration. Our goal is to…

Machine Learning · Computer Science 2025-12-03 Aida Afshar , Aldo Pacchiano

While machine learning (ML) has found multiple applications in photonics, traditional "black box" ML models typically require prohibitively large training data sets. Generation of such data, as well as the training processes themselves,…

As the length scales of the smallest technology continue to advance beyond the micron scale it becomes increasingly important to equip robotic components with the means for intelligent and autonomous decision making with limited…

Soft Condensed Matter · Physics 2022-09-08 Paul A. Monderkamp , Fabian Jan Schwarzendahl , Michael A. Klatt , Hartmut Löwen

Reinforcement learning aims to learn optimal policies from interaction with environments whose dynamics are unknown. Many methods rely on the approximation of a value function to derive near-optimal policies. In partially observable…

Machine Learning · Computer Science 2022-09-13 Gaspard Lambrechts , Adrien Bolland , Damien Ernst

We show how the success of deep learning could depend not only on mathematics but also on physics: although well-known mathematical theorems guarantee that neural networks can approximate arbitrary functions well, the class of functions of…

Disordered Systems and Neural Networks · Physics 2017-09-13 Henry W. Lin , Max Tegmark , David Rolnick

Preference-based reinforcement learning (PbRL) can enable robots to learn to perform tasks based on an individual's preferences without requiring a hand-crafted reward function. However, existing approaches either assume access to a…

Machine Learning · Computer Science 2024-02-13 Yi Liu , Gaurav Datta , Ellen Novoseller , Daniel S. Brown

Measurement and estimation of parameters are essential for science and engineering, where one of the main quests is to find systematic schemes that can achieve high precision. While conventional schemes for quantum parameter estimation…

Quantum Physics · Physics 2021-04-29 Han Xu , Junning Li , Liqiang Liu , Yu Wang , Haidong Yuan , Xin Wang

Physical learning is an emerging paradigm in science and engineering whereby (meta)materials acquire desired macroscopic behaviors by exposure to examples. So far, it has been applied to static properties such as elastic moduli and…