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Machine learning (ML) can facilitate efficient thermoelectric (TE) material discovery essential to address the environmental crisis. However, ML models often suffer from poor experimental generalizability despite high metrics. This study…

Materials Science · Physics 2026-02-03 Shoeb Athar , Adrien Mecibah , Philippe Jund

Geoenergy projects (CO2 storage, geothermal, subsurface H2 generation/storage, critical minerals from subsurface fluids, or nuclear waste disposal) increasingly follow a petroleum-style funnel from screening and appraisal to operations,…

Disordered Systems and Neural Networks · Physics 2026-03-17 Hannah P. Menke , Ahmed H. Elsheikh , Lingli Wei , Nanzhe Wang , Andreas Busch

The demand for a huge amount of data for machine learning (ML) applications is currently a bottleneck in an empirically dominated field. We propose a method to combine prior knowledge with data-driven methods to significantly reduce their…

Machine Learning · Computer Science 2023-03-06 Xia Chen , Manav Mahan Singh , Philipp Geyer

A computational workflow, also known as workflow, consists of tasks that must be executed in a specific order to attain a specific goal. Often, in fields such as biology, chemistry, physics, and data science, among others, these workflows…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-06-14 George Papadimitriou , Hongwei Jin , Cong Wang , Rajiv Mayani , Krishnan Raghavan , Anirban Mandal , Prasanna Balaprakash , Ewa Deelman

Modern materials science generates vast and diverse datasets from both experiments and computations, yet these multi-source, heterogeneous data often remain disconnected in isolated "silos". Here, we introduce MaterialsGalaxy, a…

Materials Science · Physics 2025-11-03 Tiannian Zhu , Zhong Fang , Quansheng Wu , Hongming Weng

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

Current hydrological modeling methods combine data-driven Machine Learning (ML) algorithms and traditional physics-based models to address their respective limitations incorrect parameter estimates from rigid physics-based models and the…

Machine Learning · Computer Science 2024-02-22 Mostafa Esmaeilzadeh , Melika Amirzadeh

Existing ML benchmarks lack the depth and diversity of annotations needed for evaluating models on business process management (BPM) tasks. BPM is the practice of documenting, measuring, improving, and automating enterprise workflows.…

Molecular machine learning has been maturing rapidly over the last few years. Improved methods and the presence of larger datasets have enabled machine learning algorithms to make increasingly accurate predictions about molecular…

The nature of the dynamical quantum phase transition between the many-body localized (MBL) phase and the thermal phase remains an open question, and one line of attack on this problem is to explore this transition numerically in finite-size…

Disordered Systems and Neural Networks · Physics 2016-12-21 Liangsheng Zhang , Vedika Khemani , David A. Huse

Underwater imaging is fundamentally challenging due to wavelength-dependent light attenuation, strong scattering from suspended particles, turbidity-induced blur, and non-uniform illumination. These effects impair standard cameras and make…

Computer Vision and Pattern Recognition · Computer Science 2026-01-16 Nick Truong , Pritam P. Karmokar , William J. Beksi

We present the concepts of physics-based learning models (PBLM) and their relevance and application to the field of ship hydrodynamics. The utility of physics-based learning is motivated by contrasting generic learning models for regression…

Fluid Dynamics · Physics 2014-01-17 Gabriel D. Weymouth , Dick K. P. Yue

Machine Learning (ML) models have, in contrast to their usefulness in molecular dynamics studies, had limited success as surrogate potentials for reaction barrier search. It is due to the scarcity of training data in relevant transition…

Chemical Physics · Physics 2022-09-02 Mathias Schreiner , Arghya Bhowmik , Tejs Vegge , Jonas Busk , Ole Winther

Knowledge of bubble and drop size distributions in two-phase flows is important for characterizing a wide range of phenomena, including combustor ignition, sonar communication, and cloud formation. The physical mechanisms driving the…

Fluid Dynamics · Physics 2021-01-28 Wai Hong Ronald Chan , Michael S. Dodd , Perry L. Johnson , Parviz Moin

Batch reinforcement learning (BRL) is an emerging research area in the RL community. It learns exclusively from static datasets (i.e. replay buffers) without interaction with the environment. In the offline settings, existing replay…

Machine Learning · Computer Science 2022-10-03 Hsin-Yu Liu , Xiaohan Fu , Bharathan Balaji , Rajesh Gupta , Dezhi Hong

Although multimodal fusion has made significant progress, its advancement is severely hindered by the lack of adequate evaluation benchmarks. Current fusion methods are typically evaluated on a small selection of public datasets, a limited…

Machine Learning · Computer Science 2026-05-07 Leyan Xue , Changqing Zhang , Kecheng Xue , Xiaohong Liu , Guangyu Wang , Zongbo Han

Geosystems are geological formations altered by humans activities such as fossil energy exploration, waste disposal, geologic carbon sequestration, and renewable energy generation. Geosystems also represent a critical link in the global…

Geophysics · Physics 2021-04-14 Alexander Y. Sun , Hongkyu Yoon , Chung-Yan Shih , Zhi Zhong

The prediction of streamflows and other environmental variables in unmonitored basins is a grand challenge in hydrology. Recent machine learning (ML) models can harness vast datasets for accurate predictions at large spatial scales.…

Machine Learning · Computer Science 2024-10-29 Jared D. Willard , Fabio Ciulla , Helen Weierbach , Vipin Kumar , Charuleka Varadharajan

Fueled by breakthrough technology developments, the biological, biomedical, and behavioral sciences are now collecting more data than ever before. There is a critical need for time- and cost-efficient strategies to analyze and interpret…

Recent developments in 3D vision have enabled significant progress in inferring neural fluid fields and realistic rendering of fluid dynamics. However, these methods require dense captures of real-world flows, which demand specialized…

Machine Learning · Computer Science 2026-02-23 Yuqiu Liu , Jingxuan Xu , Mauricio Soroco , Yunchao Wei , Wuyang Chen