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Machine learning models can assist with metamaterials design by approximating computationally expensive simulators or solving inverse design problems. However, past work has usually relied on black box deep neural networks, whose reasoning…

Machine Learning · Computer Science 2022-10-04 Zhi Chen , Alexander Ogren , Chiara Daraio , L. Catherine Brinson , Cynthia Rudin

A significant advancement in Neural Network (NN) research is the integration of domain-specific knowledge through custom loss functions. This approach addresses a crucial challenge: how can models utilize physics or mathematical principles…

Machine Learning · Computer Science 2025-03-27 Seyedeh Azadeh Fallah Mortezanejad , Ruochen Wang , Ali Mohammad-Djafari

Molecular simulations and biophysical experiments can be used to provide independent and complementary insights into the molecular origin of biological processes. A particularly useful strategy is to use molecular simulations as a modelling…

Chemical Physics · Physics 2019-12-10 Simone Orioli , Andreas Haahr Larsen , Sandro Bottaro , Kresten Lindorff-Larsen

Solving unsteady partial differential equations (PDEs) using recurrent neural networks (RNNs) typically requires numerical derivatives between each block of the RNN to form the physics informed loss function. However, this introduces the…

Machine Learning · Computer Science 2024-09-17 Mahyar Jahani-nasab , Mohamad Ali Bijarchi

This paper proposes a novel learning architecture for acquiring generalizable high-level symbolic skills from a few unlabeled low-level skill trajectory demonstrations. The architecture involves neural networks for symbol discovery and…

Robotics · Computer Science 2026-03-03 Hakan Aktas , Yigit Yildirim , Ahmet Firat Gamsiz , Deniz Bilge Akkoc , Erhan Oztop , Emre Ugur

A physics-informed machine learning model, in the form of a multi-output Gaussian process, is formulated using the Euler-Bernoulli beam equation. Given appropriate datasets, the model can be used to regress the analytical value of the…

Machine Learning · Statistics 2023-08-08 Gledson Rodrigo Tondo , Sebastian Rau , Igor Kavrakov , Guido Morgenthal

We propose using neural networks to detect data departures from a given reference model, with no prior bias on the nature of the new physics responsible for the discrepancy. The virtues of neural networks as unbiased function approximants…

High Energy Physics - Phenomenology · Physics 2019-01-16 Raffaele Tito D'Agnolo , Andrea Wulzer

Over the past decade, Artificial Intelligence has significantly advanced, mostly driven by large-scale neural approaches. However, in the chemical process industry, where safety is critical, these methods are often unsuitable due to their…

Machine Learning · Computer Science 2026-03-24 Julien Amblard , Niklas Groll , Matthew Tait , Mark Law , Gürkan Sin , Alessandra Russo

We demonstrate a machine learning approach designed to extract hidden chemistry/physics to facilitate new materials discovery. In particular, we propose a novel method for learning latent knowledge from material structure data in which…

Materials Science · Physics 2021-08-03 Tien-Cuong Nguyen , Van-Quyen Nguyen , Van-Linh Ngo , Quang-Khoat Than , Tien-Lam Pham

In this paper, we present a machine learning method for the discovery of analytic solutions to differential equations. The method utilizes an inherently interpretable algorithm, genetic programming based symbolic regression. Unlike…

Machine Learning · Computer Science 2023-02-08 Hongsup Oh , Roman Amici , Geoffrey Bomarito , Shandian Zhe , Robert Kirby , Jacob Hochhalter

Inference tasks in signal processing are often characterized by the availability of reliable statistical modeling with some missing instance-specific parameters. One conventional approach uses data to estimate these missing parameters and…

Signal Processing · Electrical Eng. & Systems 2023-04-25 Nir Shlezinger , Tirza Routtenberg

Many analyses in particle and nuclear physics use simulations to infer fundamental, effective, or phenomenological parameters of the underlying physics models. When the inference is performed with unfolded cross sections, the observables…

Data Analysis, Statistics and Probability · Physics 2024-09-19 Owen Long , Benjamin Nachman

Symbolic regression that aims to detect underlying data-driven models has become increasingly important for industrial data analysis. For most existing algorithms such as genetic programming (GP), the convergence speed might be too slow for…

Neural and Evolutionary Computing · Computer Science 2017-10-31 Chen Chen , Changtong Luo , Zonglin Jiang

The intersection of physics and machine learning has given rise to the physics-enhanced machine learning (PEML) paradigm, aiming to improve the capabilities and reduce the individual shortcomings of data- or physics-only methods. In this…

Machine Learning · Computer Science 2024-04-23 Marcus Haywood-Alexander , Wei Liu , Kiran Bacsa , Zhilu Lai , Eleni Chatzi

When neural networks are used to solve differential equations, they usually produce solutions in the form of black-box functions that are not directly mathematically interpretable. We introduce a method for generating symbolic expressions…

Machine Learning · Computer Science 2020-11-05 Maysum Panju , Ali Ghodsi

We study the problem of experiment design to learn causal structures from interventional data. We consider an active learning setting in which the experimenter decides to intervene on one of the variables in the system in each step and uses…

Artificial Intelligence · Computer Science 2020-09-09 Amir Amirinezhad , Saber Salehkaleybar , Matin Hashemi

The unprecedented availability of large-scale datasets in neuroscience has spurred the exploration of artificial deep neural networks (DNNs) both as empirical tools and as models of natural neural systems. Their appeal lies in their ability…

Computational Engineering, Finance, and Science · Computer Science 2024-03-22 Ahmed ElGazzar , Marcel van Gerven

Graphical models can represent a multivariate distribution in a convenient and accessible form as a graph. Causal models can be viewed as a special class of graphical models that not only represent the distribution of the observed system…

Methodology · Statistics 2017-06-29 Christina Heinze-Deml , Marloes H. Maathuis , Nicolai Meinshausen

We identify a phenomenon, which we refer to as multi-model forgetting, that occurs when sequentially training multiple deep networks with partially-shared parameters; the performance of previously-trained models degrades as one optimizes a…

Physics-based models of dynamical systems are often used to study engineering and environmental systems. Despite their extensive use, these models have several well-known limitations due to simplified representations of the physical…

Machine Learning · Computer Science 2020-09-15 Xiaowei Jia , Jared Willard , Anuj Karpatne , Jordan S Read , Jacob A Zwart , Michael Steinbach , Vipin Kumar