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Machine Learning (ML)-based force fields are attracting ever-increasing interest due to their capacity to span spatiotemporal scales of classical interatomic potentials at quantum-level accuracy. They can be trained based on high-fidelity…

Chemical Physics · Physics 2024-06-03 Sebastien Röcken , Julija Zavadlav

We propose an unsupervised anomaly detection approach based on a physics-informed diffusion model for multivariate time series data. Over the past years, diffusion model has demonstrated its effectiveness in forecasting, imputation,…

Machine Learning · Computer Science 2025-08-18 Juhi Soni , Markus Lange-Hegermann , Stefan Windmann

In this study, we investigate the potential of fast-to-evaluate surrogate modeling techniques for developing a hybrid digital twin of a steel-reinforced concrete beam, serving as a representative example of a civil engineering structure. As…

Computational Engineering, Finance, and Science · Computer Science 2024-12-10 Tarik Sahin , Daniel Wolff , Max von Danwitz , Alexander Popp

Probabilistic models help us encode latent structures that both model the data and are ideally also useful for specific downstream tasks. Among these, mixture models and their time-series counterparts, hidden Markov models, identify…

Machine Learning · Computer Science 2021-10-29 Abhishek Sharma , Catherine Zeng , Sanjana Narayanan , Sonali Parbhoo , Finale Doshi-Velez

This survey examines the broad suite of methods and models for combining machine learning with physics knowledge for prediction and forecast, with a focus on partial differential equations. These methods have attracted significant interest…

Hybrid manufacturing (HM) technologies combine additive and subtractive manufacturing (AM/SM) capabilities in multi-modal process plans that leverage the strengths of each. Despite the growing interest in HM technologies, software tools for…

Computational Geometry · Computer Science 2022-06-06 George P. Harabin , Morad Behandish

Physics-based simulations are often used to model and understand complex physical systems and processes in domains like fluid dynamics. Such simulations, although used frequently, have many limitations which could arise either due to the…

Machine Learning · Computer Science 2019-11-12 Nikhil Muralidhar , Jie Bu , Ze Cao , Long He , Naren Ramakrishnan , Danesh Tafti , Anuj Karpatne

We present a framework for fine-tuning flow-matching generative models to enforce physical constraints and solve inverse problems in scientific systems. Starting from a model trained on low-fidelity or observational data, we apply a…

Machine Learning · Computer Science 2026-01-28 Jan Tauberschmidt , Sophie Fellenz , Sebastian J. Vollmer , Andrew B. Duncan

Machine-learned interatomic potentials are revolutionising atomistic materials simulations by providing accurate and scalable predictions within the scope covered by the training data. However, generation of an accurate and robust training…

Materials Science · Physics 2025-07-30 Mariia Radova , Wojciech G. Stark , Connor S. Allen , Reinhard J. Maurer , Albert P. Bartók

Predicting the stress-strain behaviors of additively manufactured materials is crucial for part qualification in additive manufacturing (AM). Conventional physics-based constitutive models often oversimplify material properties, while…

Machine Learning · Computer Science 2026-03-17 Chenglong Duan , Dazhong Wu

Traditionally, yield strength prediction relies on detailed and resource-intensive microstructural characterization combined with empirical equations. However, quantifying microstructural feature length scales for novel processes like…

Materials Science · Physics 2024-12-12 Abhinav Chandraker , Sampad Barik , Nichenametla Jai Sai , Ankur Chauhan

Accurately predicting when and how materials fail is critical to designing safe, reliable structures, mechanical systems, and engineered components that operate under stress. Yet, fracture behavior remains difficult to model across the…

This document is a hands-on, comprehensive guide to deep learning in the realm of physical simulations. Rather than just theory, we emphasize practical application: every concept is paired with interactive Jupyter notebooks to get you up…

Machine Learning · Computer Science 2025-03-28 N. Thuerey , B. Holzschuh , P. Holl , G. Kohl , M. Lino , Q. Liu , P. Schnell , F. Trost

Metal additive manufacturing (AM) by laser powder bed fusion (L-PBF) builds upon fundamentals established in the field of laser welding which include the influence of gas and plume dynamics on weld depth and quality. L-PBF demands a…

In material science, models are derived to predict emergent material properties (e.g. elasticity, strength, conductivity) and their relations to processing conditions. A major drawback is the calibration of model parameters that depend on…

Neural and Evolutionary Computing · Computer Science 2021-11-22 Gabriel Kronberger , Evgeniya Kabliman , Johannes Kronsteiner , Michael Kommenda

Additive manufacturing has become one of the forefront technologies in fabrication, enabling new products impossible to manufacture before. Although many materials exist for additive manufacturing, they typically suffer from performance…

Predicting the physico-chemical properties of pure substances and mixtures is a central task in thermodynamics. Established prediction methods range from fully physics-based ab-initio calculations, which are only feasible for very simple…

Machine Learning · Computer Science 2024-12-02 Johannes Zenn , Dominik Gond , Fabian Jirasek , Robert Bamler

Metal additive manufacturing via laser-based powder bed fusion (PBF-LB/M) faces performance-critical challenges due to complex melt pool and vapor dynamics, often oversimplified by computational models that neglect crucial aspects, such as…

Computational Engineering, Finance, and Science · Computer Science 2025-07-03 Magdalena Schreter-Fleischhacker , Nils Much , Peter Munch , Martin Kronbichler , Wolfgang A. Wall , Christoph Meier

Metal Laser Powder Bed Fusion (PBF-LB/M) is a leading additive manufacturing technique in which part quality and grain morphology are highly dependent on process parameters. Numerous studies of process variations, such as laser power, scan…

Microstructure evolution in metal additive manufacturing (AM) is a complex multi-physics and multi-scale problem. Understanding the impact of AM process conditions on the microstructure evolution and the resulting mechanical properties of…

Numerical Analysis · Mathematics 2023-01-04 Kunal Bhagat , Shiva Rudraraju