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Computer simulation is an important tool for scientific progress, especially when lab experiments are either extremely costly and difficult or lack the required resolution. However, all of the simulation methods come with limitations. In…

Fluid Dynamics · Physics 2023-08-04 Edward R. Smith , Panagiotis E. Theodorakis

In materials science, the challenge of rapid prototyping materials with desired properties often involves extensive experimentation to find suitable microstructures. Additionally, finding microstructures for given properties is typically an…

Machine Learning · Computer Science 2024-05-22 Sébastien Bompas , Stefan Sandfeld

Generative modeling is typically framed as learning mapping rules, but from an observer's perspective without access to these rules, the task becomes disentangling the geometric support from the probability distribution. We propose that…

Machine Learning · Statistics 2025-12-04 Rui Tong

Quantum circuits that generate coherent superpositions of stochastic processes are key to many downstream quantum-accelerated tasks, such as risk analysis, importance sampling, and DNA sequencing. However, traditional methods for designing…

Quantum Physics · Physics 2026-03-26 Ximing Wang , Chengran Yang , Chidambaram Aditya Somasundaram , Jayne Thompson , Mile Gu

Recent research has shown that generative models with highly disentangled representations fail to generalise to unseen combination of generative factor values. These findings contradict earlier research which showed improved performance in…

Machine Learning · Computer Science 2024-06-17 Milton L. Montero , Jeffrey S. Bowers , Rui Ponte Costa , Casimir J. H. Ludwig , Gaurav Malhotra

This position paper argues that next-generation non-equilibrium-inspired generative models will provide the essential foundation for better modeling real-world complex dynamical systems. While many classical generative algorithms draw…

Computational Engineering, Finance, and Science · Computer Science 2025-05-27 Jiazhen Liu , Ruikun Li , Huandong Wang , Zihan Yu , Chang Liu , Jingtao Ding , Yong Li

As tensor-valued data become increasingly common in time series analysis, there is a growing need for flexible and interpretable models that can handle high-dimensional predictors and responses across multiple modes. We propose a unified…

Methodology · Statistics 2025-06-10 Shibo Li , Yao Zheng

Geophysical models of the atmosphere and ocean invariably involve parameterizations. These represent two distinct areas: Subgrid processes that the model cannot resolve, and diabatic sources in the equations, due to radiation for example.…

Complex data usually results from the interaction of objects produced by different generating mechanisms. Here we introduce a universal, unsupervised and parameter-free model-oriented approach, based upon the seminal concept of algorithmic…

Artificial Intelligence · Computer Science 2018-09-14 Hector Zenil , Narsis A. Kiani , Allan A. Zea , Jesper Tegnér

Decoupling approach presents a novel solution/alternative to the highly time-consuming fluid-thermal-structural simulation procedures when thermal effects and resultant displacements on machine tools are analyzed. Using high dimensional…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-10-31 Janine Glänzel , Andreas Naumann , Tharun Suresh Kumar

Generative models have enjoyed widespread success in a variety of applications. However, they encounter inherent mathematical limitations in modeling distributions where samples are constrained by equalities, as is frequently the setting in…

Machine Learning · Computer Science 2026-02-02 Katherine Keegan , Lars Ruthotto

Coupled spatiotemporal forecasting is important for predicting the future evolution of multiple interacting dynamical systems, such as in climate models. However, existing methods are severely constrained by the persistent bottleneck of…

Artificial Intelligence · Computer Science 2026-05-14 Hao Wu , Fan Xu , Yuxu Lu , Penghao Zhao , Fan Zhang , Hao Jia , Yuxuan Liang , Ruijian Gou , Qingsong Wen , Xian Wu , Xiaomeng Huang , Yuan Gao

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

Many promising applications of supervised machine learning face hurdles in the acquisition of labeled data in sufficient quantity and quality, creating an expensive bottleneck. To overcome such limitations, techniques that do not depend on…

Machine Learning · Computer Science 2023-03-14 Benedikt Boecking , Nicholas Roberts , Willie Neiswanger , Stefano Ermon , Frederic Sala , Artur Dubrawski

The optimal use of quantum and classical computational techniques together is important to address problems that cannot be easily solved by quantum computations alone. This is the case of the ground state problem for quantum many-body…

Quantum Physics · Physics 2022-05-03 Patrick Huembeli , Giuseppe Carleo , Antonio Mezzacapo

Molecular dynamics (MD) is a powerful technique for studying microscopic phenomena, but its computational cost has driven significant interest in the development of deep learning-based surrogate models. We introduce generative modeling of…

Biomolecules · Quantitative Biology 2024-09-27 Bowen Jing , Hannes Stärk , Tommi Jaakkola , Bonnie Berger

We derive a mode-coupling theory for the slow dynamics of fluids confined in disordered porous media represented by spherical particles randomly placed in space. Its equations display the usual nonlinear structure met in this theoretical…

Soft Condensed Matter · Physics 2007-05-23 V. Krakoviack

The increasing need for data privacy and the demand for robust machine learning models have fueled the development of synthetic data generation techniques. However, current methods often succeed in replicating simple summary statistics but…

Machine Learning · Computer Science 2025-10-27 Jens E. d'Hondt , Wieger R. Punter , Odysseas Papapetrou

Can we learn the physics of matter in motion directly from images and video--and trust it? Answering this question requires integrating experiments, physics-based simulation, and data across traditionally separate disciplines. Much of this…

Computational Engineering, Finance, and Science · Computer Science 2026-04-21 Hagen Holthusen , Kevin Linka , Ellen Kuhl

Multi-modal understanding plays a crucial role in artificial intelligence by enabling models to jointly interpret inputs from different modalities. However, conventional approaches such as contrastive learning often struggle with modality…

Machine Learning · Computer Science 2026-04-17 Jungkyoo Shin , Bumsoo Kim , Eunwoo Kim
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