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Deep generative models have recently been applied to physical systems governed by partial differential equations (PDEs), offering scalable simulation and uncertainty-aware inference. However, enforcing physical constraints, such as…

Machine Learning · Computer Science 2025-11-27 Utkarsh Utkarsh , Pengfei Cai , Alan Edelman , Rafael Gomez-Bombarelli , Christopher Vincent Rackauckas

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

Deep generative models provide state-of-the-art performance across a wide array of applications, with recent studies showing increasing applicability for science and engineering. Despite a growing corpus of literature focused on the…

Machine Learning · Computer Science 2026-05-14 Jacob K. Christopher , James E. Warner , Ferdinando Fioretto

Constrained generative modeling is fundamental to applications such as robotic control and autonomous driving, where models must respect physical laws and safety-critical constraints. In real-world settings, these constraints rarely take…

Machine Learning · Computer Science 2026-03-10 Xiaoxuan Liang , Saeid Naderiparizi , Yunpeng Liu , Berend Zwartsenberg , Frank Wood

Sampling-based motion planning under task constraints is challenging because the null-measure constraint manifold in the configuration space makes rejection sampling extremely inefficient, if not impossible. This paper presents a…

Robotics · Computer Science 2022-04-15 Cihan Acar , Keng Peng Tee

While deep generative models~(DGMs) have demonstrated remarkable success in capturing complex data distributions, they consistently fail to learn constraints that encode domain knowledge and thus require constraint integration. Existing…

Machine Learning · Computer Science 2025-02-13 Ruoyan Li , Dipti Ranjan Sahu , Guy Van den Broeck , Zhe Zeng

We introduce a generative learning framework to model high-dimensional parametric systems using gradient guidance and virtual observations. We consider systems described by Partial Differential Equations (PDEs) discretized with structured…

Machine Learning · Computer Science 2024-08-02 Han Gao , Sebastian Kaltenbach , Petros Koumoutsakos

Simulating complex physical systems often involves solving partial differential equations (PDEs) with some closures due to the presence of multi-scale physics that cannot be fully resolved. Therefore, reliable and accurate closure models…

Computational Physics · Physics 2020-02-19 Jin-Long Wu , Karthik Kashinath , Adrian Albert , Dragos Chirila , Prabhat , Heng Xiao

Deep generative neural networks have proven effective at both conditional and unconditional modeling of complex data distributions. Conditional generation enables interactive control, but creating new controls often requires expensive…

Machine Learning · Computer Science 2017-12-25 Jesse Engel , Matthew Hoffman , Adam Roberts

Recent advances in generative artificial intelligence have had a significant impact on diverse domains spanning computer vision, natural language processing, and drug discovery. This work extends the reach of generative models into physical…

Machine Learning · Computer Science 2024-10-22 Christian Jacobsen , Yilin Zhuang , Karthik Duraisamy

Generative models excel at synthesizing high-fidelity samples from complex data distributions, but they often violate hard constraints arising from physical laws or task specifications. A common remedy is to project intermediate samples…

Machine Learning · Computer Science 2025-09-30 Jinhao Liang , Yixuan Sun , Anirban Samaddar , Sandeep Madireddy , Ferdinando Fioretto

Inferring physical fields from sparse observations while strictly satisfying partial differential equations (PDEs) is a fundamental challenge in computational physics. Recently, deep generative models offer powerful data-driven priors for…

Machine Learning · Computer Science 2026-01-29 Zichao Yu , Ming Li , Wenyi Zhang , Difan Zou , Weiguo Gao

We introduce a gradient-free framework for Bayesian Optimal Experimental Design (BOED) in sequential settings, aimed at complex systems where gradient information is unavailable. Our method combines Ensemble Kalman Inversion (EKI) for…

Machine Learning · Statistics 2025-09-22 Robert Gruhlke , Matei Hanu , Claudia Schillings , Philipp Wacker

We develop a new framework for learning variational autoencoders and other deep generative models that balances generative and discriminative goals. Our framework optimizes model parameters to maximize a variational lower bound on the…

Machine Learning · Computer Science 2020-12-15 Gabriel Hope , Madina Abdrakhmanova , Xiaoyin Chen , Michael C. Hughes , Michael C. Hughes , Erik B. Sudderth

Developing efficient numerical algorithms for the solution of high dimensional random Partial Differential Equations (PDEs) has been a challenging task due to the well-known curse of dimensionality. We present a new solution framework for…

Machine Learning · Computer Science 2019-10-17 Mohammad Amin Nabian , Hadi Meidani

Reconstructing PDE solutions from sparse observations is a core challenge in scientific computing. We present FM4PDE, a flow-matching generative framework that learns the joint distribution of PDE coefficients (or initial states) and…

Machine Learning · Statistics 2026-05-26 Xifeng Zhang , Jin Zhao

Deep generative models such as flow matching and diffusion models have shown great potential in learning complex distributions and dynamical systems, but often act as black-boxes, neglecting underlying physics. In contrast, physics-based…

Machine Learning · Computer Science 2026-04-28 Gurjeet Sangra Singh , Frantzeska Lavda , Giangiacomo Mercatali , Alexandros Kalousis

Recent advances in autoregressive (AR) models have demonstrated their potential to rival diffusion models in image synthesis. However, for complex spatially-conditioned generation, current AR approaches rely on fine-tuning the pre-trained…

Computer Vision and Pattern Recognition · Computer Science 2025-10-08 Jiaqi Liu , Tao Huang , Chang Xu

Denoising generative models have recently become the dominant paradigm for dexterous grasp generation, owing to their ability to model complex grasp distributions from large-scale data. However, existing diffusion-based methods typically…

Computer Vision and Pattern Recognition · Computer Science 2026-03-18 Yukun Zhao , Zichen Zhong , Yongshun Gong , Yilong Yin , Haoliang Sun

We derive a controlled generation objective within the framework of Variational Flow Matching (VFM), which casts flow matching as a variational inference problem. We demonstrate that controlled generation can be implemented two ways: (1) by…

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