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Machine learning methods for solving the equations of dynamical mean-field theory are developed. The method is demonstrated on the three dimensional Hubbard model. The key technical issues are defining a mapping of an input function to an…

Strongly Correlated Electrons · Physics 2015-07-01 Louis-François Arsenault , O. Anatole von Lilienfeld , Andrew J. Millis

We present a new exploratory framework to model galaxy formation and evolution in a hierarchical universe by using machine learning (ML). Our motivations are two-fold: (1) presenting a new, promising technique to study galaxy formation, and…

Astrophysics of Galaxies · Physics 2015-11-30 Harshil M. Kamdar , Matthew J. Turk , Robert J. Brunner

Transition metal chromophores with earth-abundant transition metals are an important design target for their applications in lighting and non-toxic bioimaging, but their design is challenged by the scarcity of complexes that simultaneously…

Chemical Physics · Physics 2022-09-16 Chenru Duan , Aditya Nandy , Gianmarco Terrones , David W. Kastner , Heather J. Kulik

In these proceedings we perform a brief review of machine learning (ML) applications in theoretical High Energy Physics (HEP-TH). We start the discussion by defining and then classifying machine learning tasks in theoretical HEP. We then…

High Energy Physics - Phenomenology · Physics 2018-01-18 Stefano Carrazza

The system of light electroweakinos and heavy squarks gives rise to one of the most challenging signatures to detect at the LHC. It consists of missing transverse energy recoiled against a few hadronic jets originating either from QCD…

High Energy Physics - Phenomenology · Physics 2025-06-03 Rafał Masełek , Mihoko M. Nojiri , Kazuki Sakurai

The efficiency of active learning (AL) approaches to identify materials with desired properties relies on the knowledge of a few parameters describing the property. However, these parameters are unknown if the property is governed by a high…

Materials Science · Physics 2024-12-10 Akhil S. Nair , Lucas Foppa , Matthias Scheffler

Achieving desired mechanical properties in additive manufacturing requires many experiments and a well-defined design framework becomes crucial in reducing trials and conserving resources. Here, we propose a methodology embracing the…

Machine Learning · Computer Science 2024-09-04 Mahsa Amiri , Zahra Zanjani Foumani , Penghui Cao , Lorenzo Valdevit , Ramin Bostanabad

Transitioning from fossil fuels to renewable energy sources is a critical global challenge; it demands advances at the levels of materials, devices, and systems for the efficient harvesting, storage, conversion, and management of renewable…

The field of high energy physics (HEP) has seen a marked increase in the use of machine learning (ML) techniques in recent years. The proliferation of applications has revolutionised many aspects of the data processing pipeline at collider…

This chapter presents an innovative framework for the application of machine learning and data analytics for the identification of alloys or composites exhibiting certain desired properties of interest. The main focus is on alloys and…

Materials Science · Physics 2020-12-15 Baldur Steingrimsson , Xuesong Fan , Anand Kulkarni , Michael C. Gao , Peter K. Liaw

Scientific machine learning (ML) endeavors to develop generalizable models with broad applicability. However, the assessment of generalizability is often based on heuristics. Here, we demonstrate in the materials science setting that…

Active learning (AL) accelerates scientific discovery by prioritizing the most informative experiments, but traditional machine learning (ML) models used in AL suffer from cold-start limitations and domain-specific feature engineering,…

Machine Learning · Computer Science 2025-12-05 Hongchen Wang , Rafael Espinosa Castañeda , Jay R. Werber , Yao Fehlis , Edward Kim , Jason Hattrick-Simpers

Numerous phenomenological nuclear models have been proposed to describe specific observables within different regions of the nuclear chart. However, developing a unified model that describes the complex behavior of all nuclei remains an…

Nuclear Theory · Physics 2025-05-14 Jose M. Munoz , Silviu M. Udrescu , Ronald F. Garcia Ruiz

The critical heat flux (CHF) corresponding to the departure from nucleate boiling (DNB) crisis is essential to the design and safety of a two-phase flow boiling system. Despite the abundance of predictive tools available to the thermal…

Data Analysis, Statistics and Probability · Physics 2019-10-25 Xingang Zhao , Koroush Shirvan , Robert K. Salko , Fengdi Guo

Halide perovskites exhibit unpredictable properties in response to environmental stressors, due to several composition-dependent degradation mechanisms. In this work, we apply data visualization and machine learning (ML) techniques to…

Computational screening has become a powerful complement to experimental efforts in the discovery of high-performance photovoltaic (PV) materials. Most workflows rely on density functional theory (DFT) to estimate electronic and optical…

Materials Science · Physics 2025-07-18 Matthew Walker , Keith T. Butler

We train an equivariant machine learning model to predict energies and forces for a real-world study of hydrogen combustion under conditions of finite temperature and pressure. This challenging case for reactive chemistry illustrates that…

Chemical Physics · Physics 2023-06-16 Xingyi Guan , Joseph Heindel , Taehee Ko , Chao Yang , Teresa Head-Gordon

Machine learning approaches, enabled by the emergence of comprehensive databases of materials properties, are becoming a fruitful direction for materials analysis. As a result, a plethora of models have been constructed and trained on…

Scanning Transmission Electron Microscopy (STEM) coupled with Electron Energy Loss Spectroscopy (EELS) presents a powerful platform for detailed material characterization via rich imaging and spectroscopic data. Modern electron microscopes…

Instrumentation and Detectors · Physics 2024-06-18 Utkarsh Pratiush , Austin Houston , Sergei V Kalinin , Gerd Duscher

The hydro-mechanical behavior of clay-sulfate rocks, especially their swelling properties, poses significant challenges in geotechnical engineering. This study presents a hybrid constrained machine learning (ML) model developed using the…

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