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The task of deducing three-dimensional molecular configurations from their two-dimensional graph representations holds paramount importance in the fields of computational chemistry and pharmaceutical development. The rapid advancement of…

Biomolecules · Quantitative Biology 2025-01-09 Bobin Yang , Jie Deng , Zhenghan Chen , Ruoxue Wu

The characterization of quantum dynamics is a fundamental and central task in quantum mechanics. This task is typically addressed by quantum process tomography (QPT). Here we present an alternative "direct characterization of quantum…

Quantum Physics · Physics 2007-05-23 M. Mohseni , D. A. Lidar

Quantum walks have been shown to have a wide range of applications, from artificial intelligence, to photosynthesis, and quantum transport. Quantum stochastic walks (QSWs) generalize this concept to additional non-unitary evolution. In this…

Quantum Physics · Physics 2021-05-26 Peter K. Schuhmacher , Luke C. G. Govia , Bruno G. Taketani , Frank K. Wilhelm

Can robots imagine or generate maps like humans do, especially when only limited information can be perceived like blind people? To address this challenging task, we propose a novel group diffusion model (GDM) based architecture for robots…

Robotics · Computer Science 2025-01-14 Qijin Song , Weibang Bai

Random walk algorithms are crucial for sampling and approximation problems in statistical physics and theoretical computer science. The mixing property is necessary for Markov chains to approach stationary distributions and is facilitated…

Quantum Physics · Physics 2024-12-02 Shyam Dhamapurkar , Yuhang Dang , Saniya Wagh , Xiu-Hao Deng

Quantitative susceptibility mapping (QSM) is a useful magnetic resonance imaging (MRI) technique which provides spatial distribution of magnetic susceptibility values of tissues. QSMs can be obtained by deconvolving the dipole kernel from…

Computer Vision and Pattern Recognition · Computer Science 2020-12-08 Gyutaek Oh , Hyokyoung Bae , Hyun-Seo Ahn , Sung-Hong Park , Jong Chul Ye

This article proposes an active learning method for high dimensional data, based on intrinsic data geometries learned through diffusion processes on graphs. Diffusion distances are used to parametrize low-dimensional structures on the…

Machine Learning · Computer Science 2019-05-31 Mauro Maggioni , James M. Murphy

Transport phenomena play a crucial role in modern physics and applied sciences. Examples include the dissipation of energy across a large system, the distribution of quantum information in optical networks, and the timely modeling of…

Diffusion models (DMs) are a class of generative machine learning methods that sample a target distribution by transforming samples of a trivial (often Gaussian) distribution using a learned stochastic differential equation. In standard…

Statistical Mechanics · Physics 2024-08-15 Luke Causer , Grant M. Rotskoff , Juan P. Garrahan

Quantum machine learning aims to release the prowess of quantum computing to improve machine learning methods. By combining quantum computing methods with classical neural network techniques we aim to foster an increase of performance in…

High Energy Physics - Phenomenology · Physics 2021-03-17 Andrew Blance , Michael Spannowsky

Diffusion model-based approaches recently achieved re-markable success in MRI reconstruction, but integration into clinical routine remains challenging due to its time-consuming convergence. This phenomenon is partic-ularly notable when…

Image and Video Processing · Electrical Eng. & Systems 2024-11-07 Yu Guan , Qinrong Cai , Wei Li , Qiuyun Fan , Dong Liang , Qiegen Liu

We propose an approach for learning probability distributions as differentiable quantum circuits (DQC) that enable efficient quantum generative modelling (QGM) and synthetic data generation. Contrary to existing QGM approaches, we perform…

Quantum Physics · Physics 2024-11-15 Oleksandr Kyriienko , Annie E. Paine , Vincent E. Elfving

This work introduces the Grassmannian Diffusion Maps, a novel nonlinear dimensionality reduction technique that defines the affinity between points through their representation as low-dimensional subspaces corresponding to points on the…

Machine Learning · Computer Science 2021-06-02 K. R. M. dos Santos , D. G. Giovanis , M. D. Shields

To address the issue of excessive quantum resource requirements in Kuperberg's algorithm for the dihedral hidden subgroup problem, this paper proposes a distributed algorithm based on the function decomposition. By splitting the original…

Quantum Physics · Physics 2025-03-11 Pengyu Yang , Xin Zhang , Song Lin

Numerical simulation of individual open quantum systems has proven advantages over density operator computations. Quantum state diffusion with a moving basis (MQSD) provides a practical numerical simulation method which takes full advantage…

Quantum Physics · Physics 2009-10-28 R. Schack , T. A. Brun , I. C. Percival

We introduce diffusion geometry as a new framework for geometric and topological data analysis. Diffusion geometry uses the Bakry-Emery $\Gamma$-calculus of Markov diffusion operators to define objects from Riemannian geometry on a wide…

Metric Geometry · Mathematics 2024-07-03 Iolo Jones

In this article we propose a dynamic quantum tomography model for open quantum systems with evolution given by phase-damping channels. Mathematically, these channels correspond to completely positive trace-preserving maps defined by the…

Quantum Physics · Physics 2020-01-07 Artur Czerwinski , Andrzej Jamiolkowski

Sampling from diffusion probabilistic models (DPMs) can be viewed as a piecewise distribution transformation, which generally requires hundreds or thousands of steps of the inverse diffusion trajectory to get a high-quality image. Recent…

Computer Vision and Pattern Recognition · Computer Science 2023-07-24 Zezeng Li , ShengHao Li , Zhanpeng Wang , Na Lei , Zhongxuan Luo , Xianfeng Gu

Comparing probability distributions is a core challenge across the natural, social, and computational sciences. Existing methods, such as Maximum Mean Discrepancy (MMD), struggle in high-dimensional and non-compact domains. Here we…

Machine Learning · Statistics 2025-09-09 Logan S. McCarty

Conventional diffusion models typically relies on a fixed forward process, which implicitly defines complex marginal distributions over latent variables. This can often complicate the reverse process' task in learning generative…

Machine Learning · Statistics 2025-06-10 Grigory Bartosh , Dmitry Vetrov , Christian A. Naesseth