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The atomistic modeling of amorphous materials requires structure sizes and sampling statistics that are challenging to achieve with first-principles methods. Here, we propose a methodology to speed up the sampling of amorphous and…

Disordered Systems and Neural Networks · Physics 2018-03-29 Nongnuch Artrith , Alexander Urban , Gerbrand Ceder

Neural networks that synergistically integrate data and physical laws offer great promise in modeling dynamical systems. However, iterative gradient-based optimization of network parameters is often computationally expensive and suffers…

Machine Learning · Computer Science 2026-04-16 Atamert Rahma , Chinmay Datar , Felix Dietrich

In this paper, a new method for solving the power flow problem in distribution systems which is fast, parallel, as well as modular, straightforward, simplified and generic is proposed. This approach is based on a hierarchical construction…

Systems and Control · Electrical Eng. & Systems 2023-09-06 Arbel Yaniv , Yuval Beck

Learning systems must balance generalization across experiences with discrimination of task-relevant details. Effective learning therefore requires representations that support both. Online latent-cause models support incremental inference…

Machine Learning · Computer Science 2026-03-20 Ines Aitsahalia , Kiyohito Iigaya

Over the past decade, deep neural networks have proven to be adept in image classification tasks, often surpassing humans in terms of accuracy. However, standard neural networks often fail to understand the concept of hierarchical…

Computer Vision and Pattern Recognition · Computer Science 2022-06-15 Amitangshu Mukherjee , Isha Garg , Kaushik Roy

To operate process engineering systems in a safe and reliable manner, predictive models are often used in decision making. In many cases, these are mechanistic first principles models which aim to accurately describe the process. In…

Machine Learning · Computer Science 2022-05-20 Timur Bikmukhametov , Johannes Jäschke

We propose a hierarchical training algorithm for standard feed-forward neural networks that adaptively extends the network architecture as soon as the optimization reaches a stationary point. By solving small (low-dimensional) optimization…

Numerical Analysis · Mathematics 2024-10-31 Michael Feischl , Alexander Rieder , Fabian Zehetgruber

In previous work, it has been shown that the recently proposed LLR method is very efficient at overcoming strong metastabilities that arise near first-order phase transition points. Here we present a systematic study of the performance of…

High Energy Physics - Lattice · Physics 2016-11-02 Biagio Lucini , William Fall , Kurt Langfeld

Machine learning models have become indispensable tools in applications across the physical sciences. Their training is often time-consuming, vastly exceeding the inference timescales. Several protocols have been developed to perturb the…

Machine Learning · Computer Science 2025-06-25 Sagi Meir , Tommer D. Keidar , Shlomi Reuveni , Barak Hirshberg

Neural network methods are increasingly applied to solve phase transition problems, particularly in identifying critical points in non-equilibrium phase transitions, offering more convenience compared to traditional methods. In this paper,…

Statistical Mechanics · Physics 2025-03-12 Feng Gao , Jianmin Shen , Shanshan Wang , Wei Li , Dian Xu

Determining phase diagrams and phase transitions semi-automatically using machine learning has received a lot of attention recently, with results in good agreement with more conventional approaches in most cases. When it comes to more…

Disordered Systems and Neural Networks · Physics 2019-12-04 Hugo Théveniaut , Fabien Alet

A physics-informed convolutional neural network is proposed to simulate two phase flow in porous media with time-varying well controls. While most of PICNNs in existing literatures worked on parameter-to-state mapping, our proposed network…

Machine Learning · Computer Science 2024-10-24 Jungang Chen , Eduardo Gildin , John E. Killough

Hamiltonian Monte Carlo (HMC) is a powerful and accurate method to sample from the posterior distribution in Bayesian inference. However, HMC techniques are computationally demanding for Bayesian neural networks due to the high…

Machine Learning · Statistics 2025-09-11 Ponkrshnan Thiagarajan , Tamer A. Zaki , Michael D. Shields

Higher-order interactions underlie complex phenomena in systems such as biological and artificial neural networks, but their study is challenging due to the scarcity of tractable models. By leveraging a generalisation of the maximum entropy…

Disordered Systems and Neural Networks · Physics 2025-12-10 Miguel Aguilera , Pablo A. Morales , Fernando E. Rosas , Hideaki Shimazaki

This paper presents an efficient algorithm for the approximation of the rank-one convex hull in the context of nonlinear solid mechanics. It is based on hierarchical rank-one sequences and simultaneously provides first and second derivative…

Computational Engineering, Finance, and Science · Computer Science 2024-05-28 Maximilian Köhler , Timo Neumeier , Malte. A. Peter , Daniel Peterseim , Daniel Balzani

Classifying phases of matter is a central problem in physics. For quantum mechanical systems, this task can be daunting owing to the exponentially large Hilbert space. Thanks to the available computing power and access to ever larger data…

Disordered Systems and Neural Networks · Physics 2017-02-16 Evert P. L. van Nieuwenburg , Ye-Hua Liu , Sebastian D. Huber

Mostly acyclic directed networks, treated mathematically as directed graphs, arise in machine learning, biology, social science, physics, and other applications. Newman [1] has noted the mathematical challenges of such networks. In this…

Physics and Society · Physics 2019-03-26 B. Dribus , A. Sumner , K. Bist , N. Regmi , J. Sircar , S. Upreti

Humans can make predictions on various time scales and hierarchical levels. Thereby, the learning of event encodings seems to play a crucial role. In this work we model the development of hierarchical predictions via autonomously learned…

Machine Learning · Computer Science 2022-08-30 Christian Gumbsch , Maurits Adam , Birgit Elsner , Georg Martius , Martin V. Butz

Multivariate time series forecasting with hierarchical structure is widely used in real-world applications, e.g., sales predictions for the geographical hierarchy formed by cities, states, and countries. The hierarchical time series (HTS)…

Machine Learning · Computer Science 2023-10-10 Fan Zhou , Chen Pan , Lintao Ma , Yu Liu , Shiyu Wang , James Zhang , Xinxin Zhu , Xuanwei Hu , Yunhua Hu , Yangfei Zheng , Lei Lei , Yun Hu

We introduce a new approach to hierarchy formation and task decomposition in hierarchical reinforcement learning. Our method is based on the Hierarchy Of Abstract Machines (HAM) framework because HAM approach is able to design efficient…

Artificial Intelligence · Computer Science 2018-06-15 Aleksandr I. Panov , Aleksey Skrynnik