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Reinforcement learning methods typically use Deep Neural Networks to approximate the value functions and policies underlying a Markov Decision Process. Unfortunately, DNN-based RL suffers from a lack of explainability of the resulting…

Systems and Control · Electrical Eng. & Systems 2022-05-19 Shambhuraj Sawant , Sebastien Gros

We propose a method to explore the flavor structure of quarks and leptons with reinforcement learning. As a concrete model, we utilize a basic value-based algorithm for models with $U(1)$ flavor symmetry. By training neural networks on the…

High Energy Physics - Phenomenology · Physics 2024-01-31 Satsuki Nishimura , Coh Miyao , Hajime Otsuka

This paper introduces a physics-informed machine learning approach for pathloss prediction. This is achieved by including in the training phase simultaneously (i) physical dependencies between spatial loss field and (ii) measured pathloss…

Machine Learning · Statistics 2023-12-15 Steffen Limmer , Alberto Martinez Alba , Nicola Michailow

We present a general class of machine learning algorithms called parametric matrix models. In contrast with most existing machine learning models that imitate the biology of neurons, parametric matrix models use matrix equations that…

Machine Learning · Computer Science 2025-01-07 Patrick Cook , Danny Jammooa , Morten Hjorth-Jensen , Daniel D. Lee , Dean Lee

Physics-based simulations are often used to model and understand complex physical systems and processes in domains like fluid dynamics. Such simulations, although used frequently, have many limitations which could arise either due to the…

Machine Learning · Computer Science 2019-11-12 Nikhil Muralidhar , Jie Bu , Ze Cao , Long He , Naren Ramakrishnan , Danesh Tafti , Anuj Karpatne

We propose a reinforcement-learning algorithm to tackle the challenge of reconstructing phylogenetic trees. The search for the tree that best describes the data is algorithmically challenging, thus all current algorithms for phylogeny…

Populations and Evolution · Quantitative Biology 2023-03-14 Dana Azouri , Oz Granit , Michael Alburquerque , Yishay Mansour , Tal Pupko , Itay Mayrose

Chemical space is routinely explored by machine learning methods to discover interesting molecules, before time-consuming experimental synthesizing is attempted. However, these methods often rely on a graph representation, ignoring 3D…

To improve predictive models for STEM applications, supplemental physics-based features computed from input parameters are introduced into single and multiple layers of a deep neural network (DNN). While many studies focus on informing DNNs…

Emerging Technologies · Computer Science 2024-09-02 Nicholus R. Clinkinbeard , Nicole N. Hashemi

We present an algorithm for model-based reinforcement learning that combines Bayesian neural networks (BNNs) with random roll-outs and stochastic optimization for policy learning. The BNNs are trained by minimizing $\alpha$-divergences,…

Machine Learning · Statistics 2017-03-09 Stefan Depeweg , José Miguel Hernández-Lobato , Finale Doshi-Velez , Steffen Udluft

Accurate molecular force fields are of paramount importance for the efficient implementation of molecular dynamics techniques at large scales. In the last decade, machine learning methods have demonstrated impressive performances in…

Quantum Physics · Physics 2022-07-22 Oriel Kiss , Francesco Tacchino , Sofia Vallecorsa , Ivano Tavernelli

This thesis explores how deep learning models learn over time, using ideas inspired by force analysis. Specifically, we zoom in on the model's training procedure to see how one training example affects another during learning, like…

Machine Learning · Computer Science 2025-09-25 Yi Ren

Quantum and classical machine learning have been naturally connected through kernel methods, which have also served as proof-of-concept for quantum advantage. Quantum embeddings encode classical data into quantum feature states, enabling…

Quantum Physics · Physics 2025-07-01 Pablo Rodriguez-Grasa , Yue Ban , Mikel Sanz

Reinforcement learning often uses neural networks to solve complex control tasks. However, neural networks are sensitive to input perturbations, which makes their deployment in safety-critical environments challenging. This work lifts…

Machine Learning · Computer Science 2024-08-20 Manuel Wendl , Lukas Koller , Tobias Ladner , Matthias Althoff

Quantum machine learning emerges from the symbiosis of quantum mechanics and machine learning. In particular, the latter gets displayed in quantum sciences as: (i) the use of classical machine learning as a tool applied to quantum physics…

Quantum Physics · Physics 2022-02-15 Yue Ban , Javier Echanobe , Erik Torrontegui , Jorge Casanova

Machine learning algorithms learn to solve a task, but are unable to improve their ability to learn. Meta-learning methods learn about machine learning algorithms and improve them so that they learn more quickly. However, existing…

Machine Learning · Computer Science 2025-01-28 Calarina Muslimani , Alex Lewandowski , Dale Schuurmans , Matthew E. Taylor , Jun Luo

Effective inclusion of physics-based knowledge into deep neural network models of dynamical systems can greatly improve data efficiency and generalization. Such a-priori knowledge might arise from physical principles (e.g., conservation…

Machine Learning · Computer Science 2022-12-13 Franck Djeumou , Cyrus Neary , Eric Goubault , Sylvie Putot , Ufuk Topcu

We show that neural networks trained by evolutionary reinforcement learning can enact efficient molecular self-assembly protocols. Presented with molecular simulation trajectories, networks learn to change temperature and chemical potential…

Statistical Mechanics · Physics 2020-06-01 Stephen Whitelam , Isaac Tamblyn

Recent advances in reasoning domains with neural networks have primarily been enabled by a training recipe that optimizes Large Language Models, previously trained to predict the next-token in a sequence, with reinforcement learning…

Machine Learning · Computer Science 2025-12-18 Nikolaos Tsilivis , Eran Malach , Karen Ullrich , Julia Kempe

Reinforcement learning studies how an agent should interact with an environment to maximize its cumulative reward. A standard way to study this question abstractly is to ask how many samples an agent needs from the environment to learn an…

Quantum Physics · Physics 2021-12-21 Daochen Wang , Aarthi Sundaram , Robin Kothari , Ashish Kapoor , Martin Roetteler

While bigger and deeper neural network architectures continue to advance the state-of-the-art for many computer vision tasks, real-world adoption of these networks is impeded by hardware and speed constraints. Conventional model compression…

Machine Learning · Computer Science 2017-12-19 Anubhav Ashok , Nicholas Rhinehart , Fares Beainy , Kris M. Kitani