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相关论文: Theory-Guided Machine Learning for Process Simulat…

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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…

计算工程、金融与科学 · 计算机科学 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…

机器学习 · 计算机科学 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…

材料科学 · 物理学 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…

机器学习 · 计算机科学 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…

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…

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…

材料科学 · 物理学 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…

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…

密码学与安全 · 计算机科学 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…

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…

化学物理 · 物理学 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…

机器学习 · 计算机科学 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…

生物大分子 · 定量生物学 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…

计算工程、金融与科学 · 计算机科学 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…

系统与控制 · 电气工程与系统科学 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,…

机器学习 · 计算机科学 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…