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A density matrix describes the statistical state of a quantum system. It is a powerful formalism to represent both the quantum and classical uncertainty of quantum systems and to express different statistical operations such as measurement,…

Machine Learning · Computer Science 2024-05-01 Fabio A. González , Alejandro Gallego , Santiago Toledo-Cortés , Vladimir Vargas-Calderón

Complex systems are characterised by a tight, nontrivial interplay of their constituents, which gives rise to a multi-scale spectrum of emergent properties. In this scenario, it is practically and conceptually difficult to identify those…

Statistical Mechanics · Physics 2022-10-19 Roi Holtzman , Marco Giulini , Raffaello Potestio

Active systems are characterized by a continuous production of entropy at steady state. We study the statistics of entropy production within a lattice-based model of interacting active particles that is capable of motility-induced phase…

Statistical Mechanics · Physics 2022-12-21 Tal Agranov , Michael E. Cates , Robert L. Jack

Learning a Markov Decision Process (MDP) from a fixed batch of trajectories is a non-trivial task whose outcome's quality depends on both the amount and the diversity of the sampled regions of the state-action space. Yet, many MDPs are…

Machine Learning · Computer Science 2022-03-08 Giorgio Angelotti , Nicolas Drougard , Caroline P. C. Chanel

Designing protocols to dynamically direct the self-assembly of colloidal particles has become an important direction in soft matter physics because of the promising applications in fabrication of dynamic responsive functional materials.…

Soft Condensed Matter · Physics 2017-11-06 Zhan Ma , Qun-li Lei , Ran Ni

The stochastic entropy generated during the evolution of a system interacting with an environment may be separated into three components, but only two of these have a non-negative mean. The third component of entropy production is…

Statistical Mechanics · Physics 2013-05-30 Ian J. Ford , Richard E. Spinney

Dense active systems are widespread in nature, examples range from bacterial colonies to biological tissues. Dense clusters of active particles can be obtained by increasing the packing fraction of the system or taking advantage of a…

Soft Condensed Matter · Physics 2022-04-13 Matteo Paoluzzi , Demian Levis , Ignacio Pagonabarraga

Deep metric learning aims to construct an embedding space where samples of the same class are close to each other, while samples of different classes are far away from each other. Most existing deep metric learning methods attempt to…

Computer Vision and Pattern Recognition · Computer Science 2023-04-24 Liu Pingping , Liu Zetong , Lang Yijun , Zhou Qiuzhan , Li Qingliang

The active-space quantum chemical methods could provide very accurate description of strongly correlated electronic systems, which is of tremendous value for natural sciences. The proper choice of the active space is crucial, but a…

Chemical Physics · Physics 2020-12-01 Pavlo Golub , Andrej Antalik , Libor Veis , Jiri Brabec

Autonomous synthesis and characterization of inorganic materials requires the automatic and accurate analysis of X-ray diffraction spectra. For this task, we designed a probabilistic deep learning algorithm to identify complex multi-phase…

Materials Science · Physics 2021-05-27 Nathan J. Szymanski , Christopher J. Bartel , Yan Zeng , Qingsong Tu , Gerbrand Ceder

We characterize different cell states, related to cancer and ageing phenotypes, by a measure of entropy of network ensembles, integrating gene expression values and protein interaction networks. The entropy measure estimates the parameter…

Molecular Networks · Quantitative Biology 2013-05-24 G. Menichetti , G. Bianconi , E. Giampieri , G. Castellani , D. Remondini

In the last decade, the study of pressure in active matter has attracted growing attention due to its fundamental relevance to nonequilibrium statistical physics. Active matter systems are composed of particles that consume energy to…

Soft Condensed Matter · Physics 2025-08-14 Guo Yu , Ruiyao Li , Fukang Li , Jiayu Zhang , Xiyue Li , Zequ Chen , Joscha Mecke , Yongxiang Gao

Machine learning interatomic potentials (MLIPs) offer near-ab initio accuracy with the efficiency of classical force fields, making them attractive for modeling electrolytes. Collecting a diverse training set is essential for their accuracy…

Chemical Physics · Physics 2025-10-07 Olga Chalykh , Mikhail Polovinkin , Dmitry Korogod , Nikita Rybin , Alexander Shapeev

We investigate the nonequilibrium dynamics of active matter using a two-dimensional active Brownian particles model. In these systems, self-propelled particles undergo motility-induced phase separation (MIPS), spontaneously segregating into…

Soft Condensed Matter · Physics 2026-02-26 Toranosuke Umemura , Issei Sakai , Takuma Akimoto

Line intensity mapping is emerging as a novel method that can measure the collective intensity fluctuations of atomic/molecular line emission from distant galaxies. Several observational programs with various wavelengths are ongoing and…

Astrophysics of Galaxies · Physics 2021-12-15 Kana Moriwaki , Naoki Yoshida

The extension of thermodynamic principles to active matter remains a challenge due to the non-equilibrium nature inherent to active systems. In this study, we introduce a framework to assess entropy in our minimal macroscopic experiment…

Soft Condensed Matter · Physics 2024-09-26 Francesco Romanò , Michael Riedl

We study active structure learning of Bayesian networks in an observational setting, in which there are external limitations on the number of variable values that can be observed from the same sample. Random samples are drawn from the joint…

Machine Learning · Computer Science 2022-08-23 Noa Ben-David , Sivan Sabato

We present a general framework for deriving entropy production rates (EPRs) in active matter systems driven by non-Gaussian active fluctuations. Employing the probability-flow equivalence technique, we rigorously obtain an entropy…

Statistical Mechanics · Physics 2025-12-12 Yuanfei Huang , Chengyu Liu , Bing Miao , Xiang Zhou

As a result of nonequilibrium forces, purely repulsive self-propelled particles undergo macrophase separation between a dense and a dilute phase. We present a thorough study of the ordering kinetics of such motility-induced phase separation…

This paper introduces a novel approach to probabilistic deep learning, kernel density matrices, which provide a simpler yet effective mechanism for representing joint probability distributions of both continuous and discrete random…

Machine Learning · Computer Science 2024-05-01 Fabio A. González , Raúl Ramos-Pollán , Joseph A. Gallego-Mejia