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The complexity of condensed matter arises from emergent behaviors that cannot be understood by analyzing individual constituents in isolation. While traditional condensed-matter approaches-developed primarily for ideal crystalline…

Materials Science · Physics 2025-09-30 Elisabetta Nocerino

Hyperuniform states of matter are correlated systems that are characterized by an anomalous suppression of long-wavelength (i.e., large-length-scale) density fluctuations compared to those found in garden-variety disordered systems, such as…

Statistical Mechanics · Physics 2018-08-01 Salvatore Torquato

Random Boolean networks, originally invented as models of genetic regulatory networks, are simple models for a broad class of complex systems that show rich dynamical structures. From a biological perspective, the most interesting networks…

Disordered Systems and Neural Networks · Physics 2009-11-07 Joshua E. S. Socolar , Stuart A. Kauffman

The mechanism determining the band alignment of the amorphous/crystalline Si heterostructures is addressed with direct atomistic simulations of the interface performed using a hierarchical combination of various computational schemes…

Materials Science · Physics 2016-08-31 Maria Peressi , Luciano Colombo , Stefano de Gironcoli

Nonparametric detection of existence of an anomalous structure over a network is investigated. Nodes corresponding to the anomalous structure (if one exists) receive samples generated by a distribution q, which is different from a…

Machine Learning · Statistics 2017-10-11 Shaofeng Zou , Yingbin Liang , H. Vincent Poor

Amorphous solids exhibit structural short-range order despite lacking long-range crystalline order, with this structural descriptor found to be important for determining mechanical properties. Nanobeam electron diffraction offers a…

Materials Science · Physics 2026-05-21 Junjie Wu , Timothy J. Rupert

Chemical reaction networks (CRN) comprise an important class of models to understand biological functions such as cellular information processing, the robustness and control of metabolic pathways, circadian rhythms, and many more. However,…

Molecular Networks · Quantitative Biology 2025-03-25 Dimitri Loutchko , Yuki Sughiyama , Tetsuya J. Kobayashi

Carbon nanomembranes (CNMs) are nanometer-thin disordered carbon materials that are suitable for a range of applications, from energy generation and storage, through to water filtration. The structure-property relationships of these…

Classical ground states (global energy-minimizing configurations) of many-particle systems are typically unique crystalline structures, implying zero enumeration entropy of distinct patterns (aside from trivial symmetry operations). By…

Statistical Mechanics · Physics 2017-10-23 G. Zhang , F. H. Stillinger , S. Torquato

Disordered hyperuniform heterogeneous materials are new, exotic amorphous states of matter that behave like crystals in the manner in which they suppress volume-fraction fluctuations at large length scales, and yet are statistically…

Soft Condensed Matter · Physics 2018-08-09 Salvatore Torquato , Duyu Chen

We investigate the structural properties of a simple model for tetrahedral patchy colloids in which the patch width and the patch range can be tuned independently. For wide bond angles, a fully bonded network can be generated by standard…

Soft Condensed Matter · Physics 2014-05-21 Ivan Saika-Voivod , Frank Smallenburg , Francesco Sciortino

Predicting the evolution of a representative sample of a material with microstructure is a fundamental problem in homogenization. In this work we propose a graph convolutional neural network that utilizes the discretized representation of…

Machine Learning · Computer Science 2021-11-30 Ari Frankel , Cosmin Safta , Coleman Alleman , Reese Jones

Continuous-time Bayesian Networks (CTBNs) represent a compact yet powerful framework for understanding multivariate time-series data. Given complete data, parameters and structure can be estimated efficiently in closed-form. However, if…

Machine Learning · Statistics 2019-11-04 Dominik Linzner , Michael Schmidt , Heinz Koeppl

Two models are introduced to investigate graph matching in the presence of corrupt nodes. The weak model, inspired by biological networks, allows one or both networks to have a positive fraction of molecular entities interact randomly with…

Statistics Theory · Mathematics 2023-11-02 Taha Ameen , Bruce Hajek

In this work, we introduce and study a class of Deep Neural Networks (DNNs) in continuous-time. The proposed architecture stems from the combination of Neural Ordinary Differential Equations (Neural ODEs) with the model structure of…

Systems and Control · Electrical Eng. & Systems 2023-09-18 Daniele Martinelli , Clara Lucía Galimberti , Ian R. Manchester , Luca Furieri , Giancarlo Ferrari-Trecate

Scattering networks are a class of designed Convolutional Neural Networks (CNNs) with fixed weights. We argue they can serve as generic representations for modelling images. In particular, by working in scattering space, we achieve…

Quantifying uncertainty in predictions or, more generally, estimating the posterior conditional distribution, is a core challenge in machine learning and statistics. We introduce Convex Nonparanormal Regression (CNR), a conditional…

Machine Learning · Statistics 2021-09-15 Yonatan Woodbridge , Gal Elidan , Ami Wiesel

Inspired by Anderson et al. [J. R. Soc. Interface, 2014] we study the long-term behavior of discrete chemical reaction networks (CRNs). In particular, using techniques from both Petri net theory and CRN theory, we provide a powerful…

Distributed, Parallel, and Cluster Computing · Computer Science 2015-06-16 Robert Brijder

Mixture Density Networks are a tried and tested tool for modelling conditional probability distributions. As such, they constitute a great baseline for novel approaches to this problem. In the standard formulation, an MDN takes some input…

Machine Learning · Computer Science 2020-03-13 Jakob Kruse

Chemical systems are interpreted through the species they contain and the reactions they may undergo, i.e., their chemical reaction network (CRN). In spite of their central importance to chemistry, the structure of CRNs continues to be…

Statistical Mechanics · Physics 2025-06-17 Alex Blokhuis , Martijn van Kuppeveld , Daan van de Weem , Robert Pollice
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