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We present an efficient approach for generating highly accurate molecular potential energy surfaces (PESs) using self-correcting, kernel ridge regression (KRR) based machine learning (ML). We introduce structure-based sampling to…

Chemical Physics · Physics 2018-08-20 Pavlo O. Dral , Alec Owens , Sergei N. Yurchenko , Walter Thiel

Heterogeneous deep learning systems (DLS) such as GPUs and ASICs have been widely deployed in industrial data centers, which requires to develop multiple low-level tensor programs for different platforms. An attractive solution to relieve…

Computation and Language · Computer Science 2025-05-06 Shouyang Dong , Yuanbo Wen , Jun Bi , Di Huang , Jiaming Guo , Jianxing Xu , Ruibai Xu , Xinkai Song , Yifan Hao , Xuehai Zhou , Tianshi Chen , Qi Guo , Yunji Chen

Optical neural networks are at the forefront of computational innovation, utilizing photons as the primary carriers of information and employing optical components for computation. However, the fundamental nonlinear optical device in the…

Background: Short-read aligners have recently gained a lot of speed by exploiting the massive parallelism of GPU. An uprising alternative to GPU is Intel MIC; supercomputers like Tianhe-2, currently top of TOP500, is built with 48,000 MIC…

Distributed, Parallel, and Cluster Computing · Computer Science 2014-02-21 Sze-Hang Chan , Jeanno Cheung , Edward Wu , Heng Wang , Chi-Man Liu , Xiaoqian Zhu , Shaoliang Peng , Ruibang Luo , Tak-Wah Lam

Downlink beamforming is an essential technology for wireless cellular networks; however, the design of beamforming vectors that maximize the weighted sum rate (WSR) is an NP-hard problem and iterative algorithms are typically applied to…

Signal Processing · Electrical Eng. & Systems 2022-06-28 Jingyuan Xia , Gunduz Deniz

Histopathology whole slide images (WSIs) play a very important role in clinical studies and serve as the gold standard for many cancer diagnoses. However, generating automatic tools for processing WSIs is challenging due to their enormous…

Computer Vision and Pattern Recognition · Computer Science 2022-09-28 Jingwei Zhang , Xin Zhang , Ke Ma , Rajarsi Gupta , Joel Saltz , Maria Vakalopoulou , Dimitris Samaras

Channel decoding, channel detection, channel assessment, and resource management for wireless multiple-input multiple-output (MIMO) systems are all examples of problems where machine learning (ML) can be successfully applied. In this paper,…

Signal Processing · Electrical Eng. & Systems 2021-12-30 Evgeny Bobrov , Sergey Troshin , Nadezhda Chirkova , Ekaterina Lobacheva , Sviatoslav Panchenko , Dmitry Vetrov , Dmitry Kropotov

Mastering computational architectures is essential for developing fast and power-efficient programs. Our advanced simulator empowers both IT students and professionals to grasp the fundamentals of superscalar RISC-V processors, HW/SW…

Hardware Architecture · Computer Science 2024-11-13 Jiri Jaros , Michal Majer , Jakub Horky , Jan Vavra

The growing demand for deploying Small Language Models (SLMs) on edge devices, including laptops, smartphones, and embedded platforms, has exposed fundamental inefficiencies in existing accelerators. While GPUs handle prefill workloads…

Hardware Architecture · Computer Science 2026-04-14 Jinane Bazzi , Mariam Rakka , Fadi Kurdahi , Mohammed E. Fouda , Ahmed Eltawil

Reconfigurable architectures like Field Programmable Gate Arrays (FPGAs) have been used for accelerating computations in several domains because of their unique combination of flexibility, performance, and power efficiency. However, FPGAs…

Hardware Architecture · Computer Science 2023-04-26 Murat Isik , Kayode Inadagbo , Hakan Aktas

During early optimization passes, compilers must make predictions for machine-dependent characteristics such as execution unit utilization, number of register spills, latency, throughput etc. to generate better code. Often a hand-written…

Machine Learning · Computer Science 2023-02-23 Dibyendu Das , Sandya Mannarswamy

In the era of diminishing returns from Moores Law, heterogeneous computing systems have emerged as a vital approach to enhance computational efficiency. This paper introduces a novel MLIR-based dialect, named hyper, designed to optimize…

Cryptography and Security · Computer Science 2025-06-05 Zhiyuan Tan , Liutong Han , Mingjie Xing , Yanjun Wu

Bandwidth-starved multicore chips have become ubiquitous. It is well known that the performance of stencil codes can be improved by temporal blocking, lessening the pressure on the memory interface. We introduce a new pipelined approach…

Distributed, Parallel, and Cluster Computing · Computer Science 2010-06-17 Markus Wittmann , Georg Hager , Jan Treibig , Gerhard Wellein

Traditional compilers operate on a single generic intermediate representation (IR). These IRs are usually low-level and close to machine instructions. As a result, optimizations relying on domain-specific information are either not possible…

We present shared-memory parallel methods for Maximal Clique Enumeration (MCE) from a graph. MCE is a fundamental and well-studied graph analytics task, and is a widely used primitive for identifying dense structures in a graph. Due to its…

Data Structures and Algorithms · Computer Science 2020-01-30 Apurba Das , Seyed-Vahid Sanei-Mehri , Srikanta Tirthapura

The search for a compatible application of memristor-CMOS logic gates has remained elusive, as the data density benefits are offset by slow switching speeds and resistive dissipation. Active microdisplays typically prioritize pixel density…

Emerging Technologies · Computer Science 2021-04-22 Xiaoyuan Wang , Zhiru Wu , Pengfei Zhou , Herbert H. C. Iu , Jason K. Eshraghian , Sung Mo Kang

Stencil computations on low dimensional grids are kernels of many scientific applications including finite difference methods used to solve partial differential equations. On typical modern computer architectures, such stencil computations…

Computational Complexity · Computer Science 2015-01-23 Philipp Hupp , Riko Jacob

Deep Convolutional Neural Networks (CNNs) have become state-of-the art for computer vision and other signal processing tasks due to their superior accuracy. In recent years, large efforts have been made to reduce the computational costs of…

Hardware Architecture · Computer Science 2021-04-13 Mario Fischer , Juergen Wassner

While coarse-grained reconfigurable arrays (CGRAs) have emerged as promising programmable accelerator architectures, pipelining applications running on CGRAs is required to ensure high maximum clock frequencies. Current CGRA compilers…

Hardware Architecture · Computer Science 2022-11-24 Jackson Melchert , Yuchen Mei , Kalhan Koul , Qiaoyi Liu , Mark Horowitz , Priyanka Raina

Software Pipelining is a classic and important loop-optimization for VLIW processors. It improves instruction-level parallelism by overlapping multiple iterations of a loop and executing them in parallel. Typically, it is implemented using…

Programming Languages · Computer Science 2026-02-02 Jan-Willem Roorda