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Interpretable machine learning techniques are becoming essential tools for extracting physical insights from complex quantum data. We build on recent advances in variational autoencoders to demonstrate that such models can learn physically…

Prognostics and Health Management ensures the reliability, safety, and efficiency of complex engineered systems by enabling fault detection, anticipating equipment failures, and optimizing maintenance activities throughout an asset…

The increasing adoption of machine learning tools has led to calls for accountability via model interpretability. But what does it mean for a machine learning model to be interpretable by humans, and how can this be assessed? We focus on…

Machine Learning · Computer Science 2019-08-06 Dylan Slack , Sorelle A. Friedler , Carlos Scheidegger , Chitradeep Dutta Roy

Recently, there has been an increasing interest in modelling and computation of physical systems with neural networks. Hamiltonian systems are an elegant and compact formalism in classical mechanics, where the dynamics is fully determined…

Numerical Analysis · Mathematics 2022-06-28 Elena Celledoni , Andrea Leone , Davide Murari , Brynjulf Owren

Machine-learning models have demonstrated a great ability to learn complex patterns and make predictions. In high-dimensional nonlinear problems of fluid dynamics, data representation often greatly affects the performance and…

Fluid Dynamics · Physics 2022-07-29 Runze Li , Yufei Zhang , Haixin Chen

We propose a general framework to extract microscopic interactions from raw configurations with deep neural networks. The approach replaces the modeling Hamiltonian by the neural networks, in which the interaction is encoded. It can be…

Computational Physics · Physics 2020-08-19 Lingxiao Wang , Yin Jiang , Kai Zhou

The Bayesian approach to machine learning amounts to computing posterior distributions of random variables from a probabilistic model of how the variables are related (that is, a prior distribution) and a set of observations of variables.…

Logic in Computer Science · Computer Science 2015-07-01 Johannes Borgström , Andrew D Gordon , Michael Greenberg , James Margetson , Jurgen Van Gael

State of the art machine learning algorithms are highly optimized to provide the optimal prediction possible, naturally resulting in complex models. While these models often outperform simpler more interpretable models by order of…

Machine Learning · Statistics 2016-11-24 Yotam Hechtlinger

We investigate the unsupervised learning of non-invertible observation functions in nonlinear state-space models. Assuming abundant data of the observation process along with the distribution of the state process, we introduce a…

Machine Learning · Statistics 2022-07-13 Qingci An , Yannis Kevrekidis , Fei Lu , Mauro Maggioni

Concise, accurate descriptions of physical systems through their conserved quantities abound in the natural sciences. In data science, however, current research often focuses on regression problems, without routinely incorporating…

Computational Physics · Physics 2020-02-05 Tom Bertalan , Felix Dietrich , Igor Mezić , Ioannis G. Kevrekidis

We introduce a generalizable framework for learning to identify effective Hamiltonians directly from experimental data in solid-state quantum systems. Our approach is based on a physics-informed neural network architecture that embeds…

Mesoscale and Nanoscale Physics · Physics 2026-03-04 Jarosław Pawłowski , Mateusz Krawczyk

Although deep learning has achieved remarkable success in various scientific machine learning applications, its opaque nature poses concerns regarding interpretability and generalization capabilities beyond the training data.…

Machine Learning · Computer Science 2024-04-18 Amirhossein Arzani , Lingxiao Yuan , Pania Newell , Bei Wang

In this paper we propose ways to incorporate Machine Learning training outputs into a study of statistical significance. We describe these methods in supervised classification tasks using a CNN and a DNN output, and unsupervised learning…

High Energy Physics - Phenomenology · Physics 2022-03-09 Charanjit K. Khosa , Veronica Sanz , Michael Soughton

Interpretability is a pressing issue for machine learning. Common approaches to interpretable machine learning constrain interactions between features of the input, rendering the effects of those features on a model's output comprehensible…

Machine Learning · Computer Science 2023-05-11 Kieran A. Murphy , Dani S. Bassett

Dynamical phase transitions are defined as non-analytic points of the large deviation function of current fluctuations. We show that for boundary driven systems, many dynamical phase transitions can be identified using the geometrical…

Statistical Mechanics · Physics 2017-12-13 Ohad Shpielberg

Machine learning is a field of computer science that builds algorithms that learn. In many cases, machine learning algorithms are used to recreate a human ability like adding a caption to a photo, driving a car, or playing a game. While the…

Computer Vision and Pattern Recognition · Computer Science 2017-09-21 Ruth Fong , Walter Scheirer , David Cox

Machine-learning driven models have proven to be powerful tools for the identification of phases of matter. In particular, unsupervised methods hold the promise to help discover new phases of matter without the need for any prior…

In recent years, machine learning has been adopted to complex networks, but most existing works concern about the structural properties. To use machine learning to detect phase transitions and accurately identify the critical transition…

Physics and Society · Physics 2020-01-08 Qi Ni , Ming Tang , Ying Liu , Ying-Cheng Lai

Interpretation and diagnosis of machine learning models have gained renewed interest in recent years with breakthroughs in new approaches. We present Manifold, a framework that utilizes visual analysis techniques to support interpretation,…

Machine Learning · Computer Science 2019-01-18 Jiawei Zhang , Yang Wang , Piero Molino , Lezhi Li , David S. Ebert

Recently, Hamiltonian neural networks (HNN) have been introduced to incorporate prior physical knowledge when learning the dynamical equations of Hamiltonian systems. Hereby, the symplectic system structure is preserved despite the…

Machine Learning · Computer Science 2023-06-07 Eva Dierkes , Christian Offen , Sina Ober-Blöbaum , Kathrin Flaßkamp