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Deep Learning (DL) algorithms have become the {\em de facto} choice for data analysis. Several DL implementations -- primarily limited to a single compute node -- such as Caffe, TensorFlow, Theano and Torch have become readily available.…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-04-18 Abhinav Vishnu , Joseph Manzano , Charles Siegel , Jeff Daily

Nowadays, machine learning (ML) teams have multiple concurrent ML workflows for different applications. Each workflow typically involves many experiments, iterations, and collaborative activities and commonly takes months and sometimes…

Software Engineering · Computer Science 2025-09-19 Saiful Khan , Joyraj Chakraborty , Philip Beaucamp , Niraj Bhujel , Min Chen

Density Functional Theory (DFT) has been a cornerstone in computational science, providing powerful insights into structure-property relationships for molecules and materials through first-principles quantum-mechanical (QM) calculations.…

Chemical Physics · Physics 2024-08-13 Yicheng Chen , Wenjie Yan , Zhanfeng Wang , Jianming Wu , Xin Xu

Machine learning (ML) applications become increasingly common in many domains. ML systems to execute these workloads include numerical computing frameworks and libraries, ML algorithm libraries, and specialized systems for deep neural…

We theoretically discuss why deep neural networks (DNNs) performs better than other models in some cases by investigating statistical properties of DNNs for non-smooth functions. While DNNs have empirically shown higher performance than…

Machine Learning · Statistics 2018-07-10 Masaaki Imaizumi , Kenji Fukumizu

Neural Turing Machines (NTMs) are an instance of Memory Augmented Neural Networks, a new class of recurrent neural networks which decouple computation from memory by introducing an external memory unit. NTMs have demonstrated superior…

Machine Learning · Computer Science 2018-08-21 Mark Collier , Joeran Beel

Normalizing flow (NF) has gained popularity over traditional maximum likelihood based methods due to its strong capability to model complex data distributions. However, the standard approach, which maps the observed data to a normal…

Machine Learning · Computer Science 2022-11-22 Hanze Dong , Shizhe Diao , Weizhong Zhang , Tong Zhang

Deep neural networks (DNNs) have produced state-of-the-art results in many benchmarks and problem domains. However, the success of DNNs depends on the proper configuration of its architecture and hyperparameters. Such a configuration is…

Neural and Evolutionary Computing · Computer Science 2019-04-10 Jason Liang , Elliot Meyerson , Babak Hodjat , Dan Fink , Karl Mutch , Risto Miikkulainen

Spatial dataflow architectures such as reconfigurable dataflow accelerators (RDA) can provide much higher performance and efficiency than CPUs and GPUs. In particular, vectorized reconfigurable dataflow accelerators (vRDA) in recent…

Hardware Architecture · Computer Science 2024-02-01 Alexander Rucker , Shiv Sundram , Coleman Smith , Matthew Vilim , Raghu Prabhakar , Fredrik Kjolstad , Kunle Olukotun

Automated machine learning (AutoML) and deep learning (DL) are two cutting-edge paradigms used to solve a myriad of inductive learning tasks. In spite of their successes, little guidance exists for when to choose one approach over the other…

Machine Learning · Computer Science 2021-10-25 Joseph D. Romano , Trang T. Le , Weixuan Fu , Jason H. Moore

Recent studies have shown that deep neural networks (DNNs) perform significantly better than shallow networks and Gaussian mixture models (GMMs) on large vocabulary speech recognition tasks. In this paper, we argue that the improved…

Machine Learning · Computer Science 2018-12-06 Dong Yu , Michael L. Seltzer , Jinyu Li , Jui-Ting Huang , Frank Seide

Deep neural networks (DNNs) are powerful tools for approximating the distribution of complex data. It is known that data passing through a trained DNN classifier undergoes a series of geometric and topological simplifications. While some…

The training process of neural networks usually optimize weights and bias parameters of linear transformations, while nonlinear activation functions are pre-specified and fixed. This work develops a systematic approach to constructing…

Machine Learning · Computer Science 2024-10-29 Zhengqi Liu , Shuhao Cao , Yuwen Li , Ludmil Zikatanov

Visual abstract reasoning tasks present challenges for deep neural networks, exposing limitations in their capabilities. In this work, we present a neural network model that addresses the challenges posed by Raven's Progressive Matrices…

Computer Vision and Pattern Recognition · Computer Science 2024-12-02 Kai Zhao , Chang Xu , Bailu Si

Flow maps enable high-quality image generation in a single forward pass. However, unlike iterative diffusion models, their lack of an explicit sampling trajectory impedes incorporating external constraints for conditional generation and…

Computer Vision and Pattern Recognition · Computer Science 2026-03-10 Abbas Mammadov , So Takao , Bohan Chen , Ricardo Baptista , Morteza Mardani , Yee Whye Teh , Julius Berner

This paper introduces the Neural Differential Manifold (NDM), a novel neural network architecture that explicitly incorporates geometric structure into its fundamental design. Departing from conventional Euclidean parameter spaces, the NDM…

Machine Learning · Computer Science 2025-10-30 Di Zhang

Several efficient distributed algorithms have been developed for matrix-matrix multiplication: the 3D algorithm, the 2D SUMMA algorithm, and the 2.5D algorithm. Each of these algorithms was independently conceived and they trade-off memory…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-07-29 Rui Li , Yufan Xu , Aravind Sukumaran-Rajam , Atanas Rountev , P Sadayappan

As Machine Learning (ML) gains adoption across industries and new use cases, practitioners increasingly realize the challenges around effectively developing and iterating on ML systems: reproducibility, debugging, scalability, and…

Machine Learning · Computer Science 2023-03-22 Jacopo Tagliabue , Hugo Bowne-Anderson , Ville Tuulos , Savin Goyal , Romain Cledat , David Berg

Deep neural networks (DNNs) are powerful black-box predictors that have achieved impressive performance on a wide variety of tasks. However, their accuracy comes at the cost of intelligibility: it is usually unclear how they make their…

Machine Learning · Computer Science 2021-10-26 Rishabh Agarwal , Levi Melnick , Nicholas Frosst , Xuezhou Zhang , Ben Lengerich , Rich Caruana , Geoffrey Hinton

We establish connections between the Transformer architecture, originally introduced for natural language processing, and Graph Neural Networks (GNNs) for representation learning on graphs. We show how Transformers can be viewed as message…

Machine Learning · Computer Science 2025-06-30 Chaitanya K. Joshi