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Machine learning is increasingly recognized as a promising technology in the biological, biomedical, and behavioral sciences. There can be no argument that this technique is incredibly successful in image recognition with immediate…

Over the past few years, deep learning has risen to the foreground as a topic of massive interest, mainly as a result of successes obtained in solving large-scale image processing tasks. There are multiple challenging mathematical problems…

Numerical approaches to the correlated electron problem have achieved considerable success, yet are still constrained by several bottlenecks, including high order polynomial or exponential scaling in system size, long autocorrelation times,…

Strongly Correlated Electrons · Physics 2022-12-14 S. Johnston , E. Khatami , R. T. Scalettar

In this thesis, we draw inspiration from both classical system identification and modern machine learning in order to solve estimation problems for real-world, physical systems. The main approach to estimation and learning adopted is…

Machine Learning · Computer Science 2024-09-23 Fredrik Bagge Carlson

Numerical simulations of physical systems exhibit discrepancies arising from unmodeled physics and idealizations, as well as numerical approximation errors stemming from discretization and solver tolerances. This article reviews techniques…

Computational Physics · Physics 2026-01-23 Danny Smyl

Adding constraint support in Machine Learning has the potential to address outstanding issues in data-driven AI systems, such as safety and fairness. Existing approaches typically apply constrained optimization techniques to ML training,…

Machine Learning · Computer Science 2021-03-01 Fabrizio Detassis , Michele Lombardi , Michela Milano

Learning with limited data is one of the biggest problems of machine learning. Current approaches to this issue consist in learning general representations from huge amounts of data before fine-tuning the model on a small dataset of…

Machine Learning · Computer Science 2023-02-22 Grégoire Mialon

The quality and correct functioning of software components embedded in electronic systems are of utmost concern especially for safety and mission-critical systems. Model-based testing and formal verification techniques can be employed to…

Formal Languages and Automata Theory · Computer Science 2019-01-08 Shahbaz Ali , Hailong Sun , Yongwang Zhao

Due to the intrinsic complexity and nonlinearity of chemical reactions, direct applications of traditional machine learning algorithms may face with many difficulties. In this study, through two concrete examples with biological background,…

Molecular Networks · Quantitative Biology 2020-06-02 Wuyue Yang , Liangrong Peng , Yi Zhu , Liu Hong

Scientific machine learning (SciML) models are transforming many scientific disciplines. However, the development of good modeling practices to increase the trustworthiness of SciML has lagged behind its application, limiting its potential…

Machine Learning · Computer Science 2025-04-29 John D. Jakeman , Lorena A. Barba , Joaquim R. R. A. Martins , Thomas O'Leary-Roseberry

Partial Differential Equations (PDEs) describe phenomena ranging from turbulence and epidemics to quantum mechanics and financial markets. Despite recent advances in computational science, solving such PDEs for real-world applications…

Machine Learning · Computer Science 2025-05-19 Lothar Heimbach , Sebastian Kaltenbach , Petr Karnakov , Francis J. Alexander , Petros Koumoutsakos

Historically, scalability has been a major challenge to the successful application of semidefinite programming in fields such as machine learning, control, and robotics. In this paper, we survey recent approaches for addressing this…

Optimization and Control · Mathematics 2019-12-18 Anirudha Majumdar , Georgina Hall , Amir Ali Ahmadi

Machine learning develops rapidly, which has made many theoretical breakthroughs and is widely applied in various fields. Optimization, as an important part of machine learning, has attracted much attention of researchers. With the…

Machine Learning · Computer Science 2019-10-24 Shiliang Sun , Zehui Cao , Han Zhu , Jing Zhao

While there are many applications of ML to scientific problems that look promising, visuals can be deceiving. Using numerical analysis techniques, we rigorously quantify the accuracy, convergence rates, and generalization bounds of certain…

Machine Learning · Computer Science 2026-05-27 Alejandro Francisco Queiruga , Theo Gutman-Solo , Shuai Jiang

Machine learning has emerged as a significant approach to efficiently tackle electronic structure problems. Despite its potential, there is less guarantee for the model to generalize to unseen data that hinders its application in real-world…

Machine Learning · Computer Science 2024-02-16 Gengyuan Hu , Gengchen Wei , Zekun Lou , Philip H. S. Torr , Wanli Ouyang , Han-sen Zhong , Chen Lin

Machine learning techniques are used to predict theoretical constraints such as unitarity and boundedness from below in extensions of the Standard Model. This approach has proven effective for models incorporating additional SU(2) scalar…

High Energy Physics - Phenomenology · Physics 2025-12-19 Darius Jurčiukonis

Complex systems in science and engineering sometimes exhibit behavior that changes across different regimes. Traditional global models struggle to capture the full range of this complex behavior, limiting their ability to accurately…

Machine Learning · Computer Science 2023-07-24 Okezzi F. Ukorigho , Opeoluwa Owoyele

Physics-constrained machine learning (PCML) combines physical models with data-driven approaches to improve reliability, generalizability, and interpretability. Although PCML has shown significant benefits in diverse scientific and…

Machine Learning · Computer Science 2025-08-29 Angan Mukherjee , Victor M. Zavala

How does the extent to which a model is open or closed impact the scientific inferences that can be drawn from research that involves it? In this paper, we analyze how restrictions on information about model construction and deployment…

Machine learning is expected to fuel significant improvements in medical care. To ensure that fundamental principles such as beneficence, respect for human autonomy, prevention of harm, justice, privacy, and transparency are respected,…