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Computational methods that operate on three-dimensional molecular structure have the potential to solve important questions in biology and chemistry. In particular, deep neural networks have gained significant attention, but their…

Path-integral techniques are a powerful tool used in open quantum systems to provide an exact solution for the non-Markovian dynamics. However, the exponential scaling of the tensor size with quantum memory length of these techniques limits…

Quantum Physics · Physics 2025-08-25 L. M. J. Hall , A. Gisdakis , E. A. Muljarov

In past few decades, tensor algebra also known as multi-linear algebra has been developed and customized as a tool to be used for various engineering applications. In particular, with the help of a special form of tensor contracted product,…

Systems and Control · Electrical Eng. & Systems 2024-01-01 Divyanshu Pandey , Adithya Venugopal , Harry Leib

Scientific problems require resolving multi-scale phenomena across different resolutions and learning solution operators in infinite-dimensional function spaces. Neural operators provide a powerful framework for this, using…

In scientific fields such as quantum computing, physics, chemistry, and machine learning, high dimensional data are typically represented using sparse tensors. Tensor contraction is a popular operation on tensors to exploit meaning or alter…

Data Structures and Algorithms · Computer Science 2024-10-15 Andrew Ensinger , Gabriel Kulp , Victor Agostinelli , Dennis Lyakhov , Lizhong Chen

The efficient evaluation of tensor expressions involving sums over multiple indices is of significant importance to many fields of research, including quantum many-body physics, loop quantum gravity, and quantum chemistry. The computational…

Strongly Correlated Electrons · Physics 2015-12-25 Robert N. C. Pfeifer , Jutho Haegeman , Frank Verstraete

The generic matrix multiply (GEMM) function is the core element of high-performance linear algebra libraries used in many computationally-demanding digital signal processing (DSP) systems. We propose an acceleration technique for GEMM based…

Mathematical Software · Computer Science 2015-05-30 Davide Anastasia , Yiannis Andreopoulos

Latent class models are powerful statistical modeling tools widely used in psychological, behavioral, and social sciences. In the modern era of data science, researchers often have access to response data collected from large-scale surveys…

Methodology · Statistics 2025-01-08 Zhenghao Zeng , Yuqi Gu , Gongjun Xu

Tongue imaging serves as a valuable diagnostic tool, particularly in Traditional Chinese Medicine (TCM). The quality of tongue surface segmentation significantly affects the accuracy of tongue image classification and subsequent diagnosis…

Image and Video Processing · Electrical Eng. & Systems 2025-08-22 Jiacheng Xie , Ziyang Zhang , Biplab Poudel , Congyu Guo , Yang Yu , Guanghui An , Xiaoting Tang , Lening Zhao , Chunhui Xu , Dong Xu

The demand for lightweight models in image classification tasks under resource-constrained environments necessitates a balance between computational efficiency and robust feature representation. Traditional attention mechanisms, despite…

Machine Learning · Computer Science 2025-04-21 Zhenkai Qin , Feng Zhu , Huan Zeng , Xunyi Nong

Near-term quantum devices generally suffer from shallow circuit depth and hence limited expressivity due to noise and decoherence. To address this, we propose tensor-network-assisted parametrized quantum circuits, which concatenate a…

Quantum Physics · Physics 2023-12-01 Junxiang Huang , Wenhao He , Yukun Zhang , Yusen Wu , Bujiao Wu , Xiao Yuan

Recent advancements in large language models (LLMs) have catalyzed the rise of reasoning-intensive inference paradigms, where models perform explicit step-by-step reasoning before generating final answers. While such approaches improve…

Artificial Intelligence · Computer Science 2026-04-28 Zichuan Fu , Xian Wu , Guojing Li , Yejing Wang , Yijun Chen , Zihao Zhao , Yixuan Luo , Hanyu Yan , Yefeng Zheng , Xiangyu Zhao

High-dimensional data arise naturally in many areas of science and engineering, including machine learning, signal processing, computational physics, and statistics. Such data are often represented as tensors, multi-dimensional…

Machine Learning · Computer Science 2026-05-19 Beheshteh T. Rakhshan , Guillaume Rabusseau

We propose a new computational framework that combines the recently developed time-parallel (TP) and the compound wavelet matrix (CWM) methods. The framework, termed tpCWM, offers significant computational acceleration by making…

Computational Physics · Physics 2009-09-29 George Frantziskonis , Krishna Muralidharan , Pierre Deymier , Srdjan Simunovic , Sreekanth Pannala

Medical image segmentation is essential for clinical diagnosis and treatment planning. Although transformer-based methods have achieved remarkable results, their high computational cost hinders clinical deployment. To address this issue, we…

Computer Vision and Pattern Recognition · Computer Science 2025-11-18 Yaxuan Jiao , Qing Xu , Yuxiang Luo , Xiangjian He , Zhen Chen , Wenting Duan

Quantum computing holds promise for revolutionizing computational chemistry simulations, particularly in drug discovery. However, current quantum hardware is limited by noise and scale, necessitating bridging technologies. This study…

Quantum Physics · Physics 2025-04-16 Marek Kowalik , Ellen Michael , Peter Pogány , Phalgun Lolur

The efficient simulation of complex quantum systems remains a central challenge due to the exponential growth of Hilbert space with system size. Tensor network methods have long been established as powerful approximation schemes, and their…

Computational Physics · Physics 2026-03-16 Min Chen , Minzhao Liu , Changhun Oh , Liang Jiang , Yuri Alexeev , Junyu Liu

Sparse tensor algebra computations have become important in many real-world applications like machine learning, scientific simulations, and data mining. Hence, automated code generation and performance optimizations for tensor algebra…

Programming Languages · Computer Science 2022-05-25 Adhitha Dias , Kirshanthan Sundararajah , Charitha Saumya , Milind Kulkarni

Cardiac anatomy segmentation is useful for clinical assessment of cardiac morphology to inform diagnosis and intervention. Deep learning (DL), especially with motion information, has improved segmentation accuracy. However, existing…

Computer Vision and Pattern Recognition · Computer Science 2025-09-09 Md. Kamrul Hasan , Guang Yang , Choon Hwai Yap

Density functional theory (DFT)-based simulations of materials have first-principles accuracy, but are very computationally expensive. For simulating various properties of multi-component alloys, the cluster expansion (CE) technique has…

Materials Science · Physics 2026-04-01 Jacob Jeffries , Bochuan Sun , Enrique Martinez