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A universal interatomic potential for an arbitrary set of chemical elements is urgently needed in computational materials science. Graph convolution neural network (GCN) has rich expressive power, but previously was mainly employed to…

Computational Physics · Physics 2022-03-17 So Takamoto , Satoshi Izumi , Ju Li

To respond to the need of efficient training and inference of deep neural networks, a plethora of domain-specific hardware architectures have been introduced, such as Google Tensor Processing Units and NVIDIA Tensor Cores. A common feature…

Data Structures and Algorithms · Computer Science 2020-07-10 Rezaul Chowdhury , Francesco Silvestri , Flavio Vella

We present a compendium of numerical simulation techniques, based on tensor network methods, aiming to address problems of many-body quantum mechanics on a classical computer. The core setting of this anthology are lattice problems in low…

Convolutional neural networks typically consist of many convolutional layers followed by one or more fully connected layers. While convolutional layers map between high-order activation tensors, the fully connected layers operate on…

Machine Learning · Computer Science 2020-07-22 Jean Kossaifi , Zachary C. Lipton , Arinbjorn Kolbeinsson , Aran Khanna , Tommaso Furlanello , Anima Anandkumar

We introduce a change of perspective on tensor network states that is defined by the computational graph of the contraction of an amplitude. The resulting class of states, which we refer to as tensor network functions, inherit the…

Quantum Physics · Physics 2025-01-06 Wen-Yuan Liu , Si-Jing Du , Ruojing Peng , Johnnie Gray , Garnet Kin-Lic Chan

We develop a tensor network technique that can solve universal reversible classical computational problems, formulated as vertex models on a square lattice [Nat. Commun. 8, 15303 (2017)]. By encoding the truth table of each vertex…

Statistical Mechanics · Physics 2018-03-09 Zhi-Cheng Yang , Stefanos Kourtis , Claudio Chamon , Eduardo R. Mucciolo , Andrei E. Ruckenstein

Tensor network methods are powerful and efficient tools to study the properties and dynamics of statistical and quantum systems, in particular in one and two dimensions. In recent years, these methods were applied to lattice gauge theories,…

High Energy Physics - Theory · Physics 2020-02-28 William J. Cunningham , Bianca Dittrich , Sebastian Steinhaus

Factorizing tensors has recently become an important optimization module in a number of machine learning pipelines, especially in latent variable models. We show how to do this efficiently in the streaming setting. Given a set of $n$…

Machine Learning · Computer Science 2020-07-14 Rachit Chhaya , Jayesh Choudhari , Anirban Dasgupta , Supratim Shit

Deep neural networks have demonstrated state-of-the-art performance in a variety of real-world applications. In order to obtain performance gains, these networks have grown larger and deeper, containing millions or even billions of…

Machine Learning · Computer Science 2018-02-27 Wenqi Wang , Yifan Sun , Brian Eriksson , Wenlin Wang , Vaneet Aggarwal

Combining the strengths of model-based iterative algorithms and data-driven deep learning solutions, deep unrolling networks (DuNets) have become a popular tool to solve inverse imaging problems. While DuNets have been successfully applied…

Machine Learning · Computer Science 2024-04-02 Qingping Zhou , Jiayu Qian , Junqi Tang , Jinglai Li

Although code generation for Convolution Neural Network (CNN) models has been extensively studied, performing efficient data slicing and parallelization for highly-constrai\-ned Multicore Neural Processor Units (NPUs) is still a challenging…

Performance · Computer Science 2023-04-07 Rafael Sousa , Marcio Pereira , Yongin Kwon , Taeho Kim , Namsoon Jung , Chang Soo Kim , Michael Frank , Guido Araujo

This paper constructs a semi-discrete tight frame of tensor needlets associated with a quadrature rule for tangent vector fields on the unit sphere $\mathbb{S}^2$ of $\mathbb{R}^3$ --- tensor needlets. The proposed tight tensor needlets…

Numerical Analysis · Mathematics 2019-08-01 Ming Li , Philip Broadbridge , Andriy Olenko , Yu Guang Wang

Tensor networks are a very powerful data structure tool originating from quantum system simulations. In recent years, they have seen increased use in machine learning, mostly in trainings with gradient-based techniques, due to their…

Quantum Physics · Physics 2024-12-24 Sergi Masot-Llima , Artur Garcia-Saez

Most research in quantum computing today is performed against simulations of quantum computers rather than true quantum computers. Simulating a quantum computer entails implementing all of the unitary operators corresponding to the quantum…

Quantum Physics · Physics 2021-08-17 Maksim Levental

Recently, tensor algebra have witnessed significant applications across various domains. Each operator in tensor algebra features different computational workload and precision. However, current general accelerators, such as VPU, GPGPU, and…

Hardware Architecture · Computer Science 2024-05-06 Chenyang Ai , Lechuan Zhao , Zhijie Huang , Cangyuan Li , Xinan Wang , Ying Wang

Recently, deep learning has been an area of intense research. However, as a kind of computing-intensive task, deep learning highly relies on the scale of GPU memory, which is usually prohibitive and scarce. Although some extensive works…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-11-08 Kaixin Zhang , Hongzhi Wang , Han Hu , Songling Zou , Jiye Qiu , Tongxin Li , Zhishun Wang

The NeuroEvolution of Augmenting Topologies (NEAT) algorithm has received considerable recognition in the field of neuroevolution. Its effectiveness is derived from initiating with simple networks and incrementally evolving both their…

Neural and Evolutionary Computing · Computer Science 2025-04-14 Lishuang Wang , Mengfei Zhao , Enyu Liu , Kebin Sun , Ran Cheng

Topology optimization is a computational method used to determine the optimal material distribution within a prescribed design domain, aiming to minimize structural weight while satisfying load and boundary conditions. For critical…

Hardware Architecture · Computer Science 2026-04-17 Kaustubh Mhatre , Vedant Tewari , Aditya Ray , Farhan Khan , Ridwan Olabiyi , Ashif Iquebal , Aman Arora

Quantum machine learning researchers often rely on incorporating Tensor Networks (TN) into Deep Neural Networks (DNN) and variational optimization. However, the standard optimization techniques used for training the contracted trainable…

Quantum Physics · Physics 2023-10-04 Debanjan Konar , Dheeraj Peddireddy , Vaneet Aggarwal , Bijaya K. Panigrahi

With the rapid development of quantum computers in recent years, the importance of performance evaluation in quantum algorithms has been increasing. One method that has gained attention for performing this evaluation on classical computers…

Quantum Physics · Physics 2025-05-30 Goro Miki , Yasuhiro Tokura