相关论文: Machine learning glass caging order parameters wit…

A new approach to combinatorial optimization based on systematic move-class deflation is proposed. The algorithm combines heuristics of genetic algorithms and simulated annealing, and is mainly entropy-driven. It is tested on two problems…

Micrograph quantification is an essential component of several materials science studies. Machine learning methods, in particular convolutional neural networks, have previously demonstrated performance in image recognition tasks across…

The performance of machine learning models can significantly degrade under distribution shifts of the data. We propose a new method for classification which can improve robustness to distribution shifts, by combining expert knowledge about…

We consider two systems of Ising spins with plaquette interactions. They are simple models of glasses which have dual representations as kinetically constrained systems. These models allow an explicit analysis using the mosaic, or entropic…

This work presents a novel framework governing the development of an efficient, accurate, and transferable coarse-grained (CG) model of a polyether material. The proposed framework combines the two fundamentally different classical…

We use a random forest model to predict the critical cooling rate (RC) for glass formation of various alloys from features of their constituent elements. The random forest model was trained on a database that integrates multiple sources of…

Dense assemblies of self propelled particles, also known as active or living glasses are abundantaround us, covering different length and time scales: from the cytoplasm to tissues, from bacterialbio-films to vehicular traffic jams, from…

Yielding behavior in amorphous solids has been investigated in computer simulations employing uniform and cyclic shear deformation. Recent results characterise yielding as a discontinuous transition, with the degree of annealing of glasses…

Using the mapping of the Fokker-Planck description of classical stochastic dynamics onto a quantum Hamiltonian, we argue that a dynamical glass transition in the former must have a precise definition in terms of a quantum phase transition…

Extending mode-coupling theory, we elaborate a microscopic theory for the glass transition of liquids confined between two parallel flat hard walls. The theory contains the standard MCT equations in bulk and in two dimensions as limiting…

We derive an extension of the mode coupling theory for the liquid-glass transition to a class of models of confined fluids, where the fluid particles evolve in a disordered array of interaction sites. We find that the corresponding…

Within scientific and real life problems, classification is a typical case of extremely complex tasks in data-driven scenarios, especially if approached with traditional techniques. Machine Learning supervised and unsupervised paradigms,…

A molecular theory of the glass transition of network forming liquids is developed using a combination of self-consistent phonon and liquid state approaches. Both the dynamical transition and the entropy crisis characteristic of random…

Ultrastable glasses, amorphous solids with exceptionally low-energy states and enhanced kinetic, thermodynamic and mechanical stability, have long been a subject of intense experimental interest. Over the past decade, their computational…

Due to their disordered structure, glasses present a unique challenge in predicting the composition-property relationships. Recently, several attempts have been made to predict the glass properties using machine learning techniques.…

In this paper we derive an efficient algorithm to learn the parameters of structured predictors in general graphical models. This algorithm blends the learning and inference tasks, which results in a significant speedup over traditional…

Despite the extensive usage of oxide glasses for a few millennia, the composition-property relationships in these materials still remain poorly understood. While empirical and physics-based models have been used to predict properties, these…

We consider the Mode Coupling Theory (MCT) of Glass transition for a Binary fluid. The Equations of Nonlinear Fluctuating Hydrodynamics are obtained with a proper choice of the slow variables corresponding to the conservation laws. The…

Accurate prediction of physical properties is critical for discovering and designing novel materials. Machine learning technologies have attracted significant attention in the materials science community for their potential for large-scale…

Due to high viscosity, glassy systems evolve slowly to the ordered state. Results of molecular dynamics simulation reveal that the structural ordering in glasses becomes observable over "experimental" (finite) time-scale for the range of…