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Recently, Gaussian processes have been used to model the vector field of continuous dynamical systems, referred to as GPODEs, which are characterized by a probabilistic ODE equation. Bayesian inference for these models has been extensively…

Machine Learning · Computer Science 2025-08-11 Jian Xu , Shian Du , Junmei Yang , Xinghao Ding , John Paisley , Delu Zeng

Autoregressive next-step prediction models have become the de-facto standard for building data-driven neural solvers to forecast time-dependent partial differential equations (PDEs). Denoise training that is closely related to diffusion…

Machine Learning · Computer Science 2025-03-31 Zijie Li , Anthony Zhou , Amir Barati Farimani

Recent advancements of intermediate-scale quantum processors have triggered tremendous interest in the exploration of practical quantum advantage. The simulation of fluid dynamics, a highly challenging problem in classical physics but vital…

We extend the notion of quantum information flow defined by Danos and Kashefi for the one-way model and present a necessary and sufficient condition for the deterministic computation in this model. The generalized flow also applied in the…

Quantum Physics · Physics 2007-09-12 D. E. Browne , E. Kashefi , M. Mhalla , S. Perdrix

Diffusion-based generative models have reformed generative AI, and also enabled new capabilities in the science domain, e.g., fast generation of 3D structures of molecules. In such tasks, there is often a symmetry in the system, identifying…

Machine Learning · Computer Science 2026-05-15 Yixian Xu , Yusong Wang , Shengjie Luo , Kaiyuan Gao , Tianyu He , Di He , Chang Liu

Density functional theory (DFT) is a fundamental method for simulating quantum chemical properties, but it remains expensive due to the iterative self-consistent field (SCF) process required to solve the Kohn-Sham equations. Recently, deep…

Computational Physics · Physics 2025-10-23 Seongsu Kim , Nayoung Kim , Dongwoo Kim , Sungsoo Ahn

Integrating quantum circuits into deep learning pipelines remains challenging due to heuristic design limitations. We propose Q-DIVER, a hybrid framework combining a large-scale pretrained EEG encoder (DIVER-1) with a differentiable quantum…

Quantum Physics · Physics 2026-03-31 Junghoon Justin Park , Yeonghyeon Park , Jiook Cha

Recently, there has been a surge of interest in incorporating neural networks into particle filters, e.g. differentiable particle filters, to perform joint sequential state estimation and model learning for non-linear non-Gaussian…

Machine Learning · Computer Science 2025-01-07 Xiongjie Chen , Yunpeng Li

Normalizing flows are exact-likelihood generative neural networks which approximately transform samples from a simple prior distribution to samples of the probability distribution of interest. Recent work showed that such generative models…

Machine Learning · Statistics 2020-10-27 Jonas Köhler , Leon Klein , Frank Noé

Solving high-dimensional partial differential equations (PDEs) is a major challenge in scientific computing. We develop a new numerical method for solving elliptic-type PDEs by adapting the Q-learning algorithm in reinforcement learning.…

Numerical Analysis · Mathematics 2023-06-27 Samuel N. Cohen , Deqing Jiang , Justin Sirignano

Learning probabilistic models that can estimate the density of a given set of samples, and generate samples from that density, is one of the fundamental challenges in unsupervised machine learning. We introduce a new generative model based…

Machine Learning · Computer Science 2020-06-11 Siavash A. Bigdeli , Geng Lin , Tiziano Portenier , L. Andrea Dunbar , Matthias Zwicker

We introduce an algorithmic framework based on tensor networks for computing fluid flows around immersed objects in curvilinear coordinates. We show that the tensor network simulations can be carried out solely using highly compressed…

Quantum computing promises to speed up some of the most challenging problems in science and engineering. Quantum algorithms have been proposed showing theoretical advantages in applications ranging from chemistry to logistics optimization.…

Quantum Physics · Physics 2021-11-12 Niklas Heim , Atiyo Ghosh , Oleksandr Kyriienko , Vincent E. Elfving

Deep learning has revolutionized the field of computer vision by introducing large scale neural networks with millions of parameters. Training these networks requires massive datasets and leads to intransparent models that can fail to…

Computer Vision and Pattern Recognition · Computer Science 2024-05-24 Tom Fischer , Pascal Peter , Joachim Weickert , Eddy Ilg

Generative modeling using samples drawn from the probability distribution constitutes a powerful approach for unsupervised machine learning. Quantum mechanical systems can produce probability distributions that exhibit quantum correlations…

Quantum Physics · Physics 2022-10-07 Xun Gao , Eric R. Anschuetz , Sheng-Tao Wang , J. Ignacio Cirac , Mikhail D. Lukin

Understanding turbulence is the key to our comprehension of many natural and technological flow processes. At the heart of this phenomenon lies its intricate multi-scale nature, describing the coupling between different-sized eddies in…

This study established a quantum-classical hybrid framework that integrates quantum computing paradigm with meshfree finite particle method. By harnessing quantum superposition and entanglement, it hybridized the critical computational…

Fluid Dynamics · Physics 2025-09-16 Yudong Li , Wenkui Shi , Yan Li , Chunfa Wang , Ling Tao , Zhuojia Fu , Moubin Liu , Zhiqiang Feng

This paper introduces Gauge Flow Models, a novel class of Generative Flow Models. These models incorporate a learnable Gauge Field within the Flow Ordinary Differential Equation (ODE). A comprehensive mathematical framework for these…

Machine Learning · Computer Science 2026-03-04 Alexander Strunk , Roland Assam

We conducted quantum simulations of strongly correlated systems using the quantum flow (QFlow) approach, which enables sampling large sub-spaces of the Hilbert space through coupled eigenvalue problems in reduced dimensionality active…

Quantum Physics · Physics 2023-08-09 Karol Kowalski , Nicholas P. Bauman

Normalizing flows are a powerful class of generative models for continuous random variables, showing both strong model flexibility and the potential for non-autoregressive generation. These benefits are also desired when modeling discrete…

Machine Learning · Statistics 2019-06-06 Zachary M. Ziegler , Alexander M. Rush