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Molecular representation learning has shown great success in advancing AI-based drug discovery. The core of many recent works is based on the fact that the 3D geometric structure of molecules provides essential information about their…

Machine Learning · Computer Science 2024-10-23 Jiying Zhang , Zijing Liu , Yu Wang , Yu Li

Quantum mechanics fundamentally forbids deterministic discrimination of quantum states and processes. However, the ability to optimally distinguish various classes of quantum data is an important primitive in quantum information science. In…

Quantum Physics · Physics 2021-03-10 Hongxiang Chen , Leonard Wossnig , Simone Severini , Hartmut Neven , Masoud Mohseni

A central problem in data analysis is the low dimensional representation of high dimensional data, and the concise description of its underlying geometry and density. In the analysis of large scale simulations of complex dynamical systems,…

Numerical Analysis · Mathematics 2007-05-23 Boaz Nadler , Stephane Lafon , Ronald R. Coifman , Ioannis G. Kevrekidis

Universal quantum computation can be realised using both continuous-time and discrete-time quantum walks. We present a version based on single particle discrete-time quantum walk to realize multi-qubit computation tasks. The scalability of…

Quantum Physics · Physics 2023-08-21 Prateek Chawla , Shivani Singh , Aman Agarwal , Sarvesh Srinivasan , C. M. Chandrashekar

Diffusion models (DMs) are one of the most widely used generative models for producing high quality images. However, a flurry of recent papers points out that DMs are least private forms of image generators, by extracting a significant…

Machine Learning · Statistics 2025-03-06 Michael F. Liu , Saiyue Lyu , Margarita Vinaroz , Mijung Park

High-dimensional quantum systems can offer extended possibilities and multiple advantages while developing advanced quantum technologies. In this paper, we propose a class of quantum-walk architecture networks that admit the efficient…

Quantum Physics · Physics 2021-08-12 Hengji Li , Jian Li , Xiubo Chen

Deep neural networks have established themselves as one of the most promising machine learning techniques. Training such models at large scales is often parallelized, giving rise to the concept of distributed deep learning. Distributed…

Quantum Physics · Physics 2022-11-15 Lirandë Pira , Chris Ferrie

Nonlinear time-dependent partial differential equations are essential in modeling complex phenomena across diverse fields, yet they pose significant challenges due to their computational complexity, especially in higher dimensions. This…

Machine Learning · Computer Science 2025-02-20 Yuan Chen , Abdul Khaliq , Khaled M. Furati

Quantum kernels hold great promise for offering computational advantages over classical learners, with the effectiveness of these kernels closely tied to the design of the quantum feature map. However, the challenge of designing effective…

Quantum Physics · Physics 2024-01-23 Cong Lei , Yuxuan Du , Peng Mi , Jun Yu , Tongliang Liu

Diffusion Models (DMs) have demonstrated state-of-the-art performance in content generation without requiring adversarial training. These models are trained using a two-step process. First, a forward - diffusion - process gradually adds…

Computer Vision and Pattern Recognition · Computer Science 2024-03-13 Anwaar Ulhaq , Naveed Akhtar

A discrete time quantum walk is known to be the single-particle sector of a quantum cellular automaton. For a long time, these models have interested the community for their nice properties such as locality or translation invariance. This…

Quantum Physics · Physics 2025-03-03 Mathieu Roget , Giuseppe Di Molfetta

Topological data analysis is a rapidly developing area of data science where one tries to discover topological patterns in data sets to generate insight and knowledge discovery. In this project we use quantum walk algorithms to discover…

Quantum Physics · Physics 2021-06-23 Yuan Feng , Raffaele Miceli , Michael McGuigan

The performance of optimization-based robot motion planning algorithms is highly dependent on the initial solutions, commonly obtained by running a sampling-based planner to obtain a collision-free path. However, these methods can be slow…

Robotics · Computer Science 2025-08-15 J. Carvalho , A. Le , P. Kicki , D. Koert , J. Peters

Diffusion maps (DMAP) are often used as a dimensionality-reduction tool, but more precisely they provide a spectral representation of the intrinsic geometry rather than a complete charting method. To illustrate this distinction, we study a…

Machine Learning · Computer Science 2026-03-31 Julio Candanedo , Alejandro Patiño

We introduce a simple diagrammatic approach for estimating how a randomly walking quantum particle searches on a graph in continuous-time, which involves sketching small weighted graphs with self-loops and considering degenerate…

Quantum Physics · Physics 2015-06-12 Thomas G. Wong

Quantum processors may enhance machine learning by mapping high-dimensional data onto quantum systems for processing. Conventional feature maps, for encoding data onto a quantum circuit are currently impractical, as the number of entangling…

Quantum Physics · Physics 2026-03-27 Utkarsh Singh , Jean-Frédéric Laprade , Aaron Z. Goldberg , Khabat Heshami

Denoising diffusion probabilistic models (DDPMs) have achieved impressive performance on various image generation tasks, including image super-resolution. By learning to reverse the process of gradually diffusing the data distribution into…

Image and Video Processing · Electrical Eng. & Systems 2023-07-25 Kai Zhao , Alex Ling Yu Hung , Kaifeng Pang , Haoxin Zheng , Kyunghyun Sung

Denoising Diffusion Probabilistic Models (DDPMs) have garnered popularity for data generation across various domains. However, a significant bottleneck is the necessity for whole-network computation during every step of the generative…

Computer Vision and Pattern Recognition · Computer Science 2024-05-27 Shuai Yang , Yukang Chen , Luozhou Wang , Shu Liu , Yingcong Chen

Quantum machine learning (QML) aims to accelerate machine learning tasks by exploiting quantum computation. Previous work studied a QML algorithm for selecting sparse subnetworks from large shallow neural networks. Instead of directly…

Quantum Physics · Physics 2026-05-15 Natsuto Isogai , Hayata Yamasaki , Sho Sonoda , Mio Murao

Temporal volume images with 3D+t (4D) information are often used in medical imaging to statistically analyze temporal dynamics or capture disease progression. Although deep-learning-based generative models for natural images have been…

Image and Video Processing · Electrical Eng. & Systems 2022-06-28 Boah Kim , Jong Chul Ye