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The application of deep learning for partial differential equation (PDE)-constrained control is gaining increasing attention. However, existing methods rarely consider safety requirements crucial in real-world applications. To address this…

Machine Learning · Computer Science 2025-05-19 Peiyan Hu , Xiaowei Qian , Wenhao Deng , Rui Wang , Haodong Feng , Ruiqi Feng , Tao Zhang , Long Wei , Yue Wang , Zhi-Ming Ma , Tailin Wu

The high computational cost of phase field simulations remains a major limitation for predicting dendritic solidification in metals, particularly in additive manufacturing, where microstructural control is critical. This work presents a…

Diffusion models have attained prominence for their ability to synthesize a probability distribution for a given dataset via a diffusion process, enabling the generation of new data points with high fidelity. However, diffusion processes…

Machine Learning · Computer Science 2024-11-25 Shervin Khalafi , Dongsheng Ding , Alejandro Ribeiro

We present a conditional diffusion model - ConDiSim, for simulation-based inference of complex systems with intractable likelihoods. ConDiSim leverages denoising diffusion probabilistic models to approximate posterior distributions,…

Machine Learning · Computer Science 2025-10-17 Mayank Nautiyal , Andreas Hellander , Prashant Singh

Diffusion magnetic resonance imaging (dMRI) is a crucial non-invasive technique for exploring the microstructure of the living human brain. Traditional hand-crafted and model-based tissue microstructure reconstruction methods often require…

Image and Video Processing · Electrical Eng. & Systems 2025-02-26 Xinrui Ma , Jian Cheng , Wenxin Fan , Ruoyou Wu , Yongquan Ye , Shanshan Wang

The simulation of stochastic reaction-diffusion systems using fine-grained representations can become computationally prohibitive when particle numbers become large. If particle numbers are sufficiently high then it may be possible to…

Quantitative Methods · Quantitative Biology 2020-10-02 Christian A. Yates , Adam George , Armand Jordana , Cameron A. Smith , Andrew B. Duncan , Konstantinos C. Zygalakis

The simulation cost for cosmological simulation-based inference can be decreased by combining simulation sets of varying fidelity. We propose an approach to such multi-fidelity inference based on feature matching and knowledge distillation.…

Cosmology and Nongalactic Astrophysics · Physics 2025-07-02 Leander Thiele , Adrian E. Bayer , Naoya Takeishi

The present research proposes a new memory-efficient method using diffusion models to inject turbulent inflow conditions into Large Eddy Simulation (LES) and Direct Numerical Simulation (DNS) for various flow problems. A guided diffusion…

Microstructure evolution, which plays a critical role in determining materials properties, is commonly simulated by the high-fidelity but computationally expensive phase-field method. To address this, we approximate microstructure evolution…

Materials Science · Physics 2024-11-22 Saurabh Tiwari , Prathamesh Satpute , Supriyo Ghosh

This paper puts forward an integrated microstructure design methodology that replaces the common existing design approaches: 1) reconstruction of microstructures, 2) analyzing and quantifying material properties, and 3) inverse design of…

Materials Science · Physics 2023-07-18 Kang-Hyun Lee , Hyoung Jun Lim , Gun Jin Yun

Decentralized multi-robot motion planning requires each robot to generate collision-free trajectories from local observations, without global sensing or reliable communication. However, most existing planners, whether classical or…

Robotics · Computer Science 2026-05-28 Jinhao Liang , Sven Koenig , Ferdinando Fioretto

Diffusion models (DMs) have recently been introduced as a regularizing prior for PET image reconstruction, integrating DMs trained on high-quality PET images with unsupervised schemes that condition on measured data. While these approaches…

Medical Physics · Physics 2026-03-18 George Webber , Alexander Hammers , Andrew P King , Andrew J Reader

Multiphysics simulation, which models the interactions between multiple physical processes, and multi-component simulation of complex structures are critical in fields like nuclear and aerospace engineering. Previous studies use numerical…

Machine Learning · Computer Science 2026-01-21 Tao Zhang , Zhenhai Liu , Feipeng Qi , Yongjun Jiao , Tailin Wu

Learning data representations under uncertainty is an important task that emerges in numerous scientific computing and data analysis applications. However, uncertainty quantification techniques are computationally intensive and become…

Machine Learning · Computer Science 2025-08-06 Paz Fink Shustin , Shashanka Ubaru , Małgorzata J. Zimoń , Songtao Lu , Vasileios Kalantzis , Lior Horesh , Haim Avron

This paper presents a novel methodology for tractably solving optimal control and offline reinforcement learning problems for high-dimensional systems. This work is motivated by the ongoing challenges of safety, computation, and optimality…

Optimization and Control · Mathematics 2022-07-06 Aaron Kandel , Saehong Park , Scott Moura

Surrogate models have shown to be an extremely efficient aid in solving engineering problems that require repeated evaluations of an expensive computational model. They are built by sparsely evaluating the costly original model and have…

Machine Learning · Statistics 2022-12-01 M. Moustapha , B. Sudret

Simulating complex physical systems is crucial for understanding and predicting phenomena across diverse fields, such as fluid dynamics and heat transfer, as well as plasma physics and structural mechanics. Traditional approaches rely on…

The ductile-to-brittle transition (DBT) in body-centred cubic systems is a central design constraint for cryogenic structures. Performing parametric studies to enhance the understanding on DBT using fully coupled thermomechanical continuum…

Materials Science · Physics 2026-03-20 P G Kubendran Amos

Machine learning surrogate emulators are needed in engineering design and optimization tasks to rapidly emulate computationally expensive physics-based models. In micromechanics problems the local full-field response variables are desired…

Computational Engineering, Finance, and Science · Computer Science 2024-05-17 Patxi Fernandez-Zelaia , Jason Mayeur , Jiahao Cheng , Yousub Lee , Kevin Knipe , Kai Kadau

Atomic scale simulations are a key element of modern science in that they allow to understand, and even predict, complex physical or chemical phenomena on the basis of the fundamental laws of nature. Among the different existing atomic…

Materials Science · Physics 2021-07-20 Alexandre Boulle , Alain Chartier , Aurélien Debelle , Xin Jin , Jean-Paul Crocombette