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Process optimization in chemical engineering may be hindered by the limited availability of reliable thermodynamic data for fluid mixtures. Remarkable progress is being made in predicting thermodynamic mixture properties by machine learning…

Computational Engineering, Finance, and Science · Computer Science 2025-10-14 Martin Bubel , Tobias Seidel , Michael Bortz

Federated Learning (FL) can be used in mobile edge networks to train machine learning models in a distributed manner. Recently, FL has been interpreted within a Model-Agnostic Meta-Learning (MAML) framework, which brings FL significant…

Machine Learning · Computer Science 2023-03-29 Chaoqun You , Kun Guo , Gang Feng , Peng Yang , Tony Q. S. Quek

Nuclear materials are often demanded to function for extended time in extreme environments, including high radiation fluxes and transmutation, high temperature and temperature gradients, stresses, and corrosive coolants. They also have a…

Materials Science · Physics 2022-11-18 Dane Morgan , Ghanshyam Pilania , Adrien Couet , Blas P. Uberuaga , Cheng Sun , Ju Li

Frugal Machine Learning (FML) refers to the practice of designing Machine Learning (ML) models that are efficient, cost-effective, and mindful of resource constraints. This field aims to achieve acceptable performance while minimizing the…

Machine Learning · Computer Science 2025-06-03 John Violos , Konstantina-Christina Diamanti , Ioannis Kompatsiaris , Symeon Papadopoulos

In recent years, the increasing threat of devastating wildfires has underscored the need for effective prescribed fire management. Process-based computer simulations have traditionally been employed to plan prescribed fires for wildfire…

Machine Learning (ML) plays an increasingly important role in the discovery and design of new materials. In this paper, we demonstrate the potential of ML for materials research using hard-magnetic phases as an illustrative case. We build…

Materials Science · Physics 2018-10-04 Johannes J. Möller , Wolfgang Körner , Georg Krugel , Daniel F. Urban , Christian Elsässer

High-throughput computational and experimental design of materials aided by machine learning have become an increasingly important field in material science. This area of research has emerged in leaps and bounds in the thermal sciences, in…

Materials Science · Physics 2019-06-17 Hang Zhang , Kedar Hippalgaonkar , Tonio Buonassisi , Ole M. Løvvik , Espen Sagvolden , Ding Ding

The discovery of high-performance thermoelectric (TE) materials for advancing green energy harvesting from waste heat is an urgent need in the context of looming energy crisis and climate change. The rapid advancement of machine learning…

Materials Science · Physics 2026-03-26 Shoeb Athar , Philippe Jund

We discuss the emerging advances and opportunities at the intersection of machine learning (ML) and climate physics, highlighting the use of ML techniques, including supervised, unsupervised, and equation discovery, to accelerate climate…

Atmospheric and Oceanic Physics · Physics 2024-08-20 Ching-Yao Lai , Pedram Hassanzadeh , Aditi Sheshadri , Maike Sonnewald , Raffaele Ferrari , Venkatramani Balaji

Recent years have witnessed a surge in deep learning research, marked by the introduction of expansive generative models like OpenAI's SORA and GPT, Meta AI's LLAMA series, and Google's FLAN, BART, and Gemini models. However, the rapid…

Cryptography and Security · Computer Science 2024-07-11 Zhen Wang , Qin Wang , Guangsheng Yu , Shiping Chen

An exponential growth in computing power, which has brought more sophisticated and higher resolution simulations of the climate system, and an exponential increase in observations since the first weather satellite was put in orbit, are…

Atmospheric and Oceanic Physics · Physics 2024-08-20 Annalisa Bracco , Julien Brajard , Henk A. Dijkstra , Pedram Hassanzadeh , Christian Lessig , Claire Monteleoni

We present a perspective on molecular machine learning (ML) in the field of chemical process engineering. Recently, molecular ML has demonstrated great potential in (i) providing highly accurate predictions for properties of pure components…

Chemical Physics · Physics 2025-09-01 Jan G. Rittig , Manuel Dahmen , Martin Grohe , Philippe Schwaller , Alexander Mitsos

Physics-informed machine learning (PIML), referring to the combination of prior knowledge of physics, which is the high level abstraction of natural phenomenons and human behaviours in the long history, with data-driven machine learning…

Machine Learning · Computer Science 2022-04-01 Chuizheng Meng , Sungyong Seo , Defu Cao , Sam Griesemer , Yan Liu

The convergence of statistical learning and molecular physics is transforming our approach to modeling biomolecular systems. Physics-informed machine learning (PIML) offers a systematic framework that integrates data-driven inference with…

Biomolecules · Quantitative Biology 2025-11-11 Aaryesh Deshpande

The use of machine learning algorithms to predict behaviors of complex systems is booming. However, the key to an effective use of machine learning tools in multi-physics problems, including combustion, is to couple them to physical and…

Modelling complex physical systems through partial differential equations (PDEs) is central to many disciplines in science and engineering. Yet in most real applications, unknown or incomplete relationships such as constitutive or thermal…

Computational Engineering, Finance, and Science · Computer Science 2026-01-08 Ado Farsi , Nacime Bouziani , David A Ham

Physics-informed machine learning (PIML) provides a promising solution for building energy modeling and can serve as a virtual environment to enable reinforcement learning (RL) agents to interact and learn. However, challenges remain in…

Systems and Control · Electrical Eng. & Systems 2025-12-16 Zixin Jiang , Xuezheng Wang , Bing Dong

While climate models provide insights for climate decision-making, their use is constrained by significant computational and technical demands. Although machine learning (ML) emulators offer a way to bypass the high computational costs,…

Machine Learning · Computer Science 2026-03-25 Luca Schmidt , Nina Effenberger

Data-driven techniques are increasingly used to replace electronic-structure calculations of matter. In this context, a relevant question is whether machine learning (ML) should be applied directly to predict the desired properties or be…

Projecting climate change is a generalization problem: we extrapolate the recent past using physical models across past, present, and future climates. Current climate models require representations of processes that occur at scales smaller…