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The accelerated exploration of the materials space in order to identify configurations with optimal properties is an ongoing challenge. Current paradigms are typically centered around the idea of performing this exploration through…

Computational Physics · Physics 2018-12-05 Anjana Talapatra , Shahin Boluki , Thien Duong , Xiaoning Qian , Edward Dougherty , Raymundo Arróyave

One of the obstacles hindering the scaling-up of the initial successes of machine learning in practical engineering applications is the dependence of the accuracy on the size of the database that "drives" the algorithms. Incorporating the…

Computational Engineering, Finance, and Science · Computer Science 2021-06-09 Wei Li , Martin Z. Bazant , Juner Zhu

We introduce a novel framework to identify perception-action loops (PALOs) directly from data based on the principles of computational mechanics. Our approach is based on the notion of causal blanket, which captures sensory and active…

Adaptation and Self-Organizing Systems · Physics 2020-09-30 Fernando E. Rosas , Pedro A. M. Mediano , Martin Biehl , Shamil Chandaria , Daniel Polani

An innovative physics-guided learning algorithm for predicting the mechanical response of materials and structures is proposed in this paper. The key concept of the proposed study is based on the fact that physics models are governed by…

Computational Engineering, Finance, and Science · Computer Science 2020-04-22 Houpu Yao , Yi Gao , Yongming Liu

Peak detection is a problem in sequential data analysis that involves differentiating regions with higher counts (peaks) from regions with lower counts (background noise). It is crucial to correctly predict areas that deviate from the…

Machine Learning · Computer Science 2022-10-07 Toby D. Hocking , Jacob M. Kaufman , Alyssa J. Stenberg

A new particle-based sampling and approximate inference method, based on electrostatics and Newton mechanics principles, is introduced with theoretical ground, algorithm design and experimental validation. This method simulates an…

Artificial Intelligence · Computer Science 2024-07-01 Yongchao Huang

The behavior of many complex systems, from nanostructured materials to animal colonies, is governed by local transitions that, while involving a restricted number of interacting units, may generate collective cascade phenomena. Tracking…

Multiscale systems are ubiquitous in science and technology, but are notoriously challenging to simulate as short spatiotemporal scales must be appropriately linked to emergent bulk physics. When expensive high-dimensional dynamical systems…

Machine Learning · Computer Science 2025-12-30 Quercus Hernandez , Max Win , Thomas C. O'Connor , Paulo E. Arratia , Nathaniel Trask

We consider stochastic energy balance and entropy production (EP) in a generalized Langevin dynamics of macrospins, allowing for both amplitude and direction fluctuations, under external magnetic field. EP is calculated using Fokker-Planck…

Statistical Mechanics · Physics 2015-10-09 Swarnali Bandopadhyay , Debasish Chaudhuri , A. M. Jayannavar

The Free Energy Principle (FEP) is a theoretical framework for describing how (intelligent) systems self-organise into coherent, stable structures by minimising a free energy functional. Active Inference (AIF) is a corollary of the FEP that…

Artificial Intelligence · Computer Science 2023-10-17 Magnus Koudahl , Thijs van de Laar , Bert de Vries

In macroscopic systems, velocity-dependent phenomenological forces $F(v)$ are used to model friction, feedback devices or self-propulsion. Such forces usually include a dissipative component which conceals the fast energy exchanges with a…

Statistical Mechanics · Physics 2015-09-11 Luca Cerino , Andrea Puglisi

Modern automated microscopy faces a fundamental discovery challenge: in many systems, the most important scientific information does not reside in the immediately visible image features, but in the target space of sequentially acquired…

Learning Markov blanket (MB) structures has proven useful in performing feature selection, learning Bayesian networks (BNs), and discovering causal relationships. We present a formula for efficiently determining the number of MB structures…

Machine Learning · Statistics 2014-07-15 Shyam Visweswaran , Gregory F. Cooper

We develop a novel data-driven approach to the inverse problem of classical statistical mechanics: given experimental data on the collective motion of a classical many-body system, how does one characterise the free energy landscape of that…

Statistical Mechanics · Physics 2022-03-01 Peter Yatsyshin , Serafim Kalliadasis , Andrew B. Duncan

This paper proposes new methods for analyzing dynamic images registered by multichannel, highly sensitive detectors with low spatial but high temporal resolution. The principal characteristic of the approach is the absence of factorization…

Instrumentation and Methods for Astrophysics · Physics 2024-10-10 S. A. Sharakin , R. E. Saraev

In this PhD thesis, we explore and apply methods inspired by the free energy principle to two important areas in machine learning and neuroscience. The free energy principle is a general mathematical theory of the necessary…

Artificial Intelligence · Computer Science 2021-08-31 Beren Millidge

Causal discovery is a data-driven paradigm for analyzing complex systems, while physics-based models, such as ordinary differential equations (ODEs), provide mechanistic structure for real-world dynamical processes. Integrating these…

Machine Learning · Computer Science 2026-05-21 Jianhong Chen , Naichen Shi , Xubo Yue

The ability to automatically discover interpretable mathematical models from data could forever change how we model soft matter systems. For convex discovery problems with a unique global minimum, model discovery is well-established. It…

Soft Condensed Matter · Physics 2024-04-11 Kevin Linka , Ellen Kuhl

Connecting the dynamics of biomolecular networks to experimentally measurable cell phenotypes remains a central challenge in systems biology. Here we introduce a model-based definition of phenotype as a partial steady state that is…

Molecular Networks · Quantitative Biology 2026-02-18 Samuel Pastva , Kyu Hyong Park , Jordan C. Rozum , Van-Giang Trinh , Réka Albert

EM algorithm is a convenient tool for maximum likelihood model fitting when the data are incomplete or when there are latent variables or hidden states. In this review article we explain that EM algorithm is a natural computational scheme…

Methodology · Statistics 2011-04-13 Zhangzhang Si , Haifeng Gong , Song-Chun Zhu , Ying Nian Wu