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Autonomous space systems operating in extreme thermal environments require accurate and efficient thermal modeling to support both pre-mission system design and onboard autonomy. For lunar rovers, large temperature gradients, radiative heat…

Machine Learning · Computer Science 2026-05-28 Samuel Weber , Zaki Hasnain , Souma Chowdhury

Parameter estimation remains a challenging task across many areas of engineering. Because data acquisition can often be costly, limited, or prone to inaccuracies (noise, uncertainty) it is crucial to identify sensor configurations that…

Machine Learning · Statistics 2025-11-20 Georgios Venianakis , Constantinos Theodoropoulos , Michail Kavousanakis

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

In recent years, scientific machine learning, particularly physic-informed neural networks (PINNs), has introduced new innovative methods to understanding the differential equations that describe power system dynamics, providing a more…

Systems and Control · Electrical Eng. & Systems 2024-03-12 Huynh T. T. Tran , Hieu T. Nguyen

The integration of Scientific Machine Learning (SciML) techniques with uncertainty quantification (UQ) represents a rapidly evolving frontier in computational science. This work advances Physics-Informed Neural Networks (PINNs) by…

Machine Learning · Statistics 2025-12-30 Georgios Arampatzis , Stylianos Katsarakis , Charalambos Makridakis

A data-driven model augmentation framework, referred to as Weakly-coupled Integrated Inference and Machine Learning (IIML), is presented to improve the predictive accuracy of physical models. In contrast to parameter calibration, this work…

Computational Engineering, Finance, and Science · Computer Science 2022-07-25 Vishal Srivastava , Valentin Sulzer , Peyman Mohtat , Jason B. Siegel , Karthik Duraisamy

This paper introduces a physics-informed machine learning approach for pathloss prediction. This is achieved by including in the training phase simultaneously (i) physical dependencies between spatial loss field and (ii) measured pathloss…

Machine Learning · Statistics 2023-12-15 Steffen Limmer , Alberto Martinez Alba , Nicola Michailow

Machine learning is increasingly transforming various scientific fields, enabled by advancements in computational power and access to large data sets from experiments and simulations. As artificial intelligence (AI) continues to grow in…

Computational Physics · Physics 2025-04-01 Sebastian Johann Wetzel , Seungwoong Ha , Raban Iten , Miriam Klopotek , Ziming Liu

A method for the local and global interpretation of a black-box model on the basis of the well-known generalized additive models is proposed. It can be viewed as an extension or a modification of the algorithm using the neural additive…

Machine Learning · Computer Science 2020-10-16 Andrei V. Konstantinov , Lev V. Utkin

The answers to many unsolved problems lie in the intractable chemical space of molecules and materials. Machine learning techniques are rapidly growing in popularity as a way to compress and explore chemical space efficiently. One of the…

Chemical Physics · Physics 2020-01-06 John E. Herr , Kevin Koh , Kun Yao , John Parkhill

The inverse Stefan problem, as a typical phase-change problem with moving boundaries, finds extensive applications in science and engineering. Recent years have seen the applications of physics-informed neural networks (PINNs) to solving…

Machine Learning · Computer Science 2025-10-27 Pei-Zhi Zhuang , Ming-Yue Yang , Fei Ren , Hong-Ya Yue , He Yang

Amorphous materials are coming within reach of realistic computer simulations, but new approaches are needed to fully understand their intricate atomic structures. Here, we show how machine-learning (ML)-based techniques can give new,…

Physiologically Based Pharmacokinetic (PBPK) modeling is a cornerstone of model-informed drug development (MIDD), providing a mechanistic framework to predict drug absorption, distribution, metabolism, and excretion (ADME). Despite its…

Machine Learning · Computer Science 2026-02-24 Shunqi Liu , Han Qiu , Tong Wang

As the size and ubiquity of artificial intelligence and computational machine learning (ML) models grow, their energy consumption for training and use is rapidly becoming economically and environmentally unsustainable. Neuromorphic…

Disordered Systems and Neural Networks · Physics 2023-10-17 Menachem Stern , Sam Dillavou , Dinesh Jayaraman , Douglas J. Durian , Andrea J. Liu

The accurate modelling of structural dynamics is crucial across numerous engineering applications, such as Structural Health Monitoring (SHM), seismic analysis, and vibration control. Often, these models originate from physics-based…

Computational Physics · Physics 2024-10-31 Marcus Haywood-Alexander , Giacomo Arcieri , Antonios Kamariotis , Eleni Chatzi

Machine learning is capable of discriminating phases of matter, and finding associated phase transitions, directly from large data sets of raw state configurations. In the context of condensed matter physics, most progress in the field of…

Statistical Mechanics · Physics 2017-12-06 Pedro Ponte , Roger G. Melko

Machine Learning (ML) has the potential to accelerate discovery of new materials and shed light on useful properties of existing materials. A key difficulty when applying ML in Materials Science is that experimental datasets of material…

Scientific machine learning (SciML) represents a significant advancement in integrating machine learning (ML) with scientific methodologies. At the forefront of this development are Physics-Informed Neural Networks (PINNs), which offer a…

Machine Learning · Computer Science 2024-11-19 Reyhaneh Taj

Machine learning (ML) is transforming all areas of science. The complex and time-consuming calculations in molecular simulations are particularly suitable for a machine learning revolution and have already been profoundly impacted by the…

Chemical Physics · Physics 2019-11-11 Frank Noé , Alexandre Tkatchenko , Klaus-Robert Müller , Cecilia Clementi

Combining machine learning with physics is a trending approach for discovering unknown dynamics, and one of the most intensively studied frameworks is the physics-informed neural network (PINN). However, PINN often fails to optimize the…

Machine Learning · Computer Science 2023-11-29 Yuichi Kajiura , Jorge Espin , Dong Zhang
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