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Design of new drugs is a challenging process: a candidate molecule should satisfy multiple conditions to act properly and make the least side-effect -- perfect candidates selectively attach to and influence only targets, leaving off-targets…

Biomolecules · Quantitative Biology 2024-05-07 Andrij Rovenchak , Maksym Druchok

The unprecedented predictive success of deep generative models in complex many-body systems, such as AlphaFold3, raises an epistemological question: do these networks merely memorize data distributions via high-dimensional interpolation, or…

Disordered Systems and Neural Networks · Physics 2026-05-18 Wenjie Xi , Wei-Qiang Chen

We use machine learning to classify rational two-dimensional conformal field theories. We first use the energy spectra of these minimal models to train a supervised learning algorithm. We find that the machine is able to correctly predict…

Strongly Correlated Electrons · Physics 2021-07-13 En-Jui Kuo , Alireza Seif , Rex Lundgren , Seth Whitsitt , Mohammad Hafezi

The spin ice compound Dy_2Ti_2O_7 stands out as the first topological magnet in three dimensions, with its tell-tale emergent fractionalized magnetic monopole excitations. Its real-time dynamical properties have been an enigma from the very…

There is growing interest to investigate states of matter with topological order, which support excitations in the form of anyons, and which underly topological quantum computing. Examples of such systems include lattice spin models in two…

Quantum Physics · Physics 2007-05-23 A. Micheli , G. K. Brennen , P. Zoller

Since their invention in the 1980s [1], optical tweezers have found a wide range of applications, from biophotonics and mechanobiology to microscopy and optomechanics [2, 3, 4, 5]. Simulations of the motion of microscopic particles held by…

Predicting high-dimensional dynamical systems with irregular time steps presents significant challenges for current data-driven algorithms. These irregularities arise from missing data, sparse observations, or adaptive computational…

Machine Learning · Computer Science 2026-03-27 Kewei Zhu , Yanze Xin , Jinwei Hu , Xiaoyuan Cheng , Yiming Yang , Sibo Cheng

Available data in machine learning applications is becoming increasingly complex, due to higher dimensionality and difficult classes. There exists a wide variety of approaches to measuring complexity of labeled data, according to class…

Machine Learning · Computer Science 2021-11-12 David Charte , Francisco Charte , Francisco Herrera

Recently proposed spintronic devices use magnetic skyrmions as bits of information. The reliable detection of those chiral magnetic objects is an indispensable requirement. Yet, the high mobility of magnetic skyrmions leads to their…

Mesoscale and Nanoscale Physics · Physics 2022-06-01 Tim Matthies , Alexander F. Schäffer , Thore Posske , Roland Wiesendanger , Elena Y. Vedmedenko

Originating from image recognition, methods of machine learning allow for effective feature extraction and dimensionality reduction in multidimensional datasets, thereby providing an extraordinary tool to deal with classical and quantum…

Statistical Mechanics · Physics 2019-01-16 Albert A. Shirinyan , Valerii K. Kozin , Johan Hellsvik , Manuel Pereiro , Olle Eriksson , Dmitry Yudin

We report on a study of the inelastic scattering properties of (001) and (111) Ho$_2$Ti$_2$O$_7$ single crystals at room temperature. Structural and compositional analysis along with absorption measurement confirms single crystalline phase…

Strongly Correlated Electrons · Physics 2018-05-16 Naween Anand , L. J. van de Burgt , Q. Huang , Jade Holleman , Haidong Zhou , Stephen A McGill , Christianne Beekman

We examine the statistical mechanics of spin-ice materials with a [100] magnetic field. We show that the approach to saturated magnetisation is, in the low-temperature limit, an example of a 3D Kasteleyn transition, which is topological in…

Statistical Mechanics · Physics 2008-03-03 Ludovic D. C. Jaubert , J. T. Chalker , Peter C. W. Holdsworth , R. Moessner

We present a proof of concept machine learning model resting on a convolutional neural network capable to yield accurate scattering s-wave phase shifts caused by different three-dimensional spherically symmetric potentials at fixed…

Computational Physics · Physics 2022-02-15 Alessandro Romualdi , Gionni Marchetti

We investigate the application of deep learning techniques employing the conditional variational autoencoders for semi-supervised learning of latent parameters to describe phase transition in the two-dimensional (2D) ferromagnetic Ising…

Statistical Mechanics · Physics 2023-06-30 Adwait Naravane , Nilmani Mathur

Simulations are the best approximation to experimental laboratories in astrophysics and cosmology. However, the complexity, richness, and large size of their outputs severely limit the interpretability of their predictions. We describe a…

Instrumentation and Methods for Astrophysics · Physics 2024-06-07 Kai L. Polsterer , Bernd Doser , Andreas Fehlner , Sebastian Trujillo-Gomez

Atomistic simulations hold significant value in clarifying crucial phenomena such as phase transitions and energy transport in materials science. Their success stems from the presence of potential energy functions capable of accurately…

The binding problem in human cognition, concerning how the brain represents and connects objects within a fixed network of neural connections, remains a subject of intense debate. Most machine learning efforts addressing this issue in an…

Machine Learning · Computer Science 2023-10-18 Sindy Löwe , Phillip Lippe , Francesco Locatello , Max Welling

Simultaneous manipulation of charge and spin density distributions in materials is the key element required in spintronics applications. Here we study the formation of coupled spin and charge densities arising in scattering of electrons by…

Mesoscale and Nanoscale Physics · Physics 2023-06-21 S. Wolski , V. K. Dugaev , E. Ya. Sherman

How can agents learn internal models that veridically represent interactions with the real world is a largely open question. As machine learning is moving towards representations containing not just observational but also interventional…

Machine Learning · Computer Science 2024-07-03 Hamza Keurti , Hsiao-Ru Pan , Michel Besserve , Benjamin F. Grewe , Bernhard Schölkopf

A high resolution inelastic neutron scattering (INS) study of fully deuterated Mn$_{12}$-acetate provides the most accurate spin Hamiltonian parameters for this prototype single molecule magnet so far. The Mn$_{12}$-clusters deviate from…

Strongly Correlated Electrons · Physics 2009-11-10 Roland Bircher , Gregory Chaboussant , Andreas Sieber , Hans U. Guedel , Hannu Mutka