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$\rm{SO}(3)$-equivariant networks are the dominant models for machine learning interatomic potentials (MLIPs). The key operation of such networks is the Clebsch-Gordan (CG) tensor product, which is computationally expensive. To accelerate…

Machine Learning · Computer Science 2026-01-14 Yuchao Lin , Cong Fu , Zachary Krueger , Haiyang Yu , Maho Nakata , Jianwen Xie , Emine Kucukbenli , Xiaofeng Qian , Shuiwang Ji

Molecular similarity search has been widely used in drug discovery to identify structurally similar compounds from large molecular databases rapidly. With the increasing size of chemical libraries, there is growing interest in the efficient…

Hardware Architecture · Computer Science 2021-09-15 Hongwu Peng , Shiyang Chen , Zhepeng Wang , Junhuan Yang , Scott A. Weitze , Tong Geng , Ang Li , Jinbo Bi , Minghu Song , Weiwen Jiang , Hang Liu , Caiwen Ding

Many artificial intelligence (AI) devices have been developed to accelerate the training and inference of neural networks models. The most common ones are the Graphics Processing Unit (GPU) and Tensor Processing Unit (TPU). They are highly…

Machine Learning · Computer Science 2022-10-25 xiangyang Ju , Yunsong Wang , Daniel Murnane , Nicholas Choma , Steven Farrell , Paolo Calafiura

Similarity search finds application in specialized database systems handling complex data such as images or videos, which are typically represented by high-dimensional features and require specific indexing structures. This paper tackles…

Computer Vision and Pattern Recognition · Computer Science 2018-06-07 Jeff Johnson , Matthijs Douze , Hervé Jégou

Tensor networks (TNs) and neural networks (NNs) are two fundamental data modeling approaches. TNs were introduced to solve the curse of dimensionality in large-scale tensors by converting an exponential number of dimensions to polynomial…

Machine Learning · Computer Science 2025-03-18 Maolin Wang , Yu Pan , Zenglin Xu , Guangxi Li , Xiangli Yang , Danilo Mandic , Andrzej Cichocki

Super-symmetric tensors - a higher-order extension of scatter matrices - are becoming increasingly popular in machine learning and computer vision for modelling data statistics, co-occurrences, or even as visual descriptors. However, the…

Computer Vision and Pattern Recognition · Computer Science 2015-09-11 Piotr Koniusz , Anoop Cherian

TensorDash is a hardware level technique for enabling data-parallel MAC units to take advantage of sparsity in their input operand streams. When used to compose a hardware accelerator for deep learning, TensorDash can speedup the training…

Hardware Architecture · Computer Science 2022-03-28 Mostafa Mahmoud , Isak Edo , Ali Hadi Zadeh , Omar Mohamed Awad , Gennady Pekhimenko , Jorge Albericio , Andreas Moshovos

Heterogeneous collaborative computing with NPU and CPU has received widespread attention due to its substantial performance benefits. To ensure data confidentiality and integrity during computing, Trusted Execution Environments (TEE) is…

Cryptography and Security · Computer Science 2024-07-15 Husheng Han , Xinyao Zheng , Yuanbo Wen , Yifan Hao , Erhu Feng , Ling Liang , Jianan Mu , Xiaqing Li , Tianyun Ma , Pengwei Jin , Xinkai Song , Zidong Du , Qi Guo , Xing Hu

Many machine learning tasks such as clustering, classification, and dataset search benefit from embedding data points in a space where distances reflect notions of relative similarity as perceived by humans. A common way to construct such…

Machine Learning · Statistics 2019-11-25 Gregory Canal , Stefano Fenu , Christopher Rozell

Tensors, or multidimensional arrays, are data structures that can naturally represent visual data of multiple dimensions. Inherently able to efficiently capture structured, latent semantic spaces and high-order interactions, tensors have a…

Computer Vision and Pattern Recognition · Computer Science 2021-07-09 Yannis Panagakis , Jean Kossaifi , Grigorios G. Chrysos , James Oldfield , Mihalis A. Nicolaou , Anima Anandkumar , Stefanos Zafeiriou

Monte Carlo Tree Search (MCTS) is a widely used approach for policy improvement through search with increasing popularity for real world applications. Due to the sequential and deterministic nature of its search, runtime-scaling of MCTS…

Machine Learning · Computer Science 2026-05-22 Yaniv Oren , Viliam Vadocz , Joery A. de Vries , Wendelin Böhmer , Matthijs T. J. Spaan , Hendrik Baier

Improving the computational efficiency of quantum many-body calculations from a hardware perspective remains a critical challenge. Although field-programmable gate arrays (FPGAs) have recently been exploited to improve the computational…

Strongly Correlated Electrons · Physics 2026-02-06 Songtai Lv , Yang Liang , Rui Zhu , Qibin Zheng , Haiyuan Zou

Deep learning hardware achieves high throughput and low power consumption by reducing computing precision and specializing in matrix multiplication. For machine learning inference, fixed-point value computation is commonplace, where the…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-04-02 Hiroyuki Ootomo , Katsuhisa Ozaki , Rio Yokota

Computation of correlation functions is a key operation in Lattice quantum chromodynamics (LQCD) simulations to extract nuclear physics observables. These functions involve many binary batch tensor contractions, each tensor possibly…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-11-05 Oguz Selvitopi , Emin Ozturk , Jie Chen , Ponnuswamy Sadayappan , Robert G. Edwards , Aydın Buluç

Consider a data set collected by (individuals-features) pairs in different times. It can be represented as a tensor of three dimensions (Individuals, features and times). The tensor biclustering problem computes a subset of individuals and…

Machine Learning · Computer Science 2019-03-12 Andriantsiory Dina Faneva , Mustapha Lebbah , Hanane Azzag , Gaël Beck

Photonic tensor cores (PTCs) are essential building blocks for optical artificial intelligence (AI) accelerators based on programmable photonic integrated circuits. Most PTC designs today are manually constructed, with low design efficiency…

Emerging Technologies · Computer Science 2024-10-03 Ziyang Jiang , Pingchuan Ma , Meng Zhang , Rena Huang , Jiaqi Gu

We develop new approximation algorithms and data structures for representing and computing with multivariate functions using the functional tensor-train (FT), a continuous extension of the tensor-train (TT) decomposition. The FT represents…

Numerical Analysis · Mathematics 2018-12-13 Alex A. Gorodetsky , Sertac Karaman , Youssef M. Marzouk

Trotter and linear-combination-of-unitary (LCU) are two popular Hamiltonian simulation methods. We propose Hamiltonian simulation algorithms using LCU to compensate Trotter error, which enjoy both of their advantages. By adding few gates…

Quantum Physics · Physics 2025-03-31 Pei Zeng , Jinzhao Sun , Liang Jiang , Qi Zhao

The alternating least squares algorithm for CP and Tucker decomposition is dominated in cost by the tensor contractions necessary to set up the quadratic optimization subproblems. We introduce a novel family of algorithms that uses…

Numerical Analysis · Mathematics 2021-04-15 Linjian Ma , Edgar Solomonik

The self-join finds all objects in a dataset within a threshold of each other defined by a similarity metric. As such, the self-join is a building block for the field of databases and data mining, and is employed in Big Data applications.…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-03-13 Michael Gowanlock , Ben Karsin