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Machine learning (ML) in the representation of molecular-orbital-based (MOB) features has been shown to be an accurate and transferable approach to the prediction of post-Hartree-Fock correlation energies. Previous applications of MOB-ML…

Chemical Physics · Physics 2023-03-28 Lixue Cheng , Nikola B. Kovachki , Matthew Welborn , Thomas F. Miller

Retrosynthesis is the task of breaking down a chemical compound recursively step-by-step into molecular precursors until a set of commercially available molecules is found. Consequently, the goal is to provide a valid synthesis route for a…

Meta learning approaches to few-shot classification are computationally efficient at test time, requiring just a few optimization steps or single forward pass to learn a new task, but they remain highly memory-intensive to train. This…

Nanoscale resistive memories are expected to fuel dense integration of electronic synapses for large-scale neuromorphic system. To realize such a brain-inspired computing chip, a compact CMOS spiking neuron that performs in-situ learning…

Neural and Evolutionary Computing · Computer Science 2015-11-25 Xinyu Wu , Vishal Saxena , Kehan Zhu , Sakkarapani Balagopal

Simulation-based design space exploration (DSE) aims to efficiently optimize high-dimensional structured designs under complex constraints and expensive evaluation costs. Existing approaches, including heuristic and multi-step reinforcement…

Machine Learning · Computer Science 2025-06-05 Yifeng Xiao , Yurong Xu , Ning Yan , Masood Mortazavi , Pierluigi Nuzzo

Training machine learning (ML) algorithms is a computationally intensive process, which is frequently memory-bound due to repeatedly accessing large training datasets. As a result, processor-centric systems (e.g., CPU, GPU) suffer from…

Hardware Architecture · Computer Science 2023-09-07 Juan Gómez-Luna , Yuxin Guo , Sylvan Brocard , Julien Legriel , Remy Cimadomo , Geraldo F. Oliveira , Gagandeep Singh , Onur Mutlu

Herein, a bit-wise Convolutional Neural Network (CNN) in-memory accelerator is implemented using Spin-Orbit Torque Magnetic Random Access Memory (SOT-MRAM) computational sub-arrays. It utilizes a novel AND-Accumulation method capable of…

Machine Learning · Computer Science 2019-04-18 Arman Roohi , Shaahin Angizi , Deliang Fan , Ronald F DeMara

Reservoir computing is an emerging, but very successful approach towards processing and classification of various signals. It can be described as a model of a transient computation, where influence of input changes internal dynamics of…

The inversion of extremely high order matrices has been a challenging task because of the limited processing and memory capacity of conventional computers. In a scenario in which the data does not fit in memory, it is worth to consider…

Numerical Analysis · Mathematics 2018-05-08 Iria C. S. Cosme , Isaac F. Fernandes , João L. de Carvalho , Samuel Xavier-de-Souza

We propose a new score-based model with one-step sampling. Previously, score-based models were burdened with heavy computations due to iterative sampling. For substituting the iterative process, we train a standalone generator to compress…

Computer Vision and Pattern Recognition · Computer Science 2023-09-21 Senmao Ye , Fei Liu

In model-based reinforcement learning (MBRL), most algorithms rely on simulating trajectories from one-step dynamics models learned on data. A critical challenge of this approach is the compounding of one-step prediction errors as length of…

Machine Learning · Computer Science 2023-10-12 Abdelhakim Benechehab , Giuseppe Paolo , Albert Thomas , Maurizio Filippone , Balázs Kégl

In recent years, there is a growing interest in combining techniques attributed to the areas of Statistics and Machine Learning in order to obtain the benefits of both approaches. In this article, the statistical technique lasso for…

Machine Learning · Statistics 2023-09-08 David Delgado , Ernesto Curbelo , Danae Carreras

AUC is an important performance measure and many algorithms have been devoted to AUC optimization, mostly by minimizing a surrogate convex loss on a training data set. In this work, we focus on one-pass AUC optimization that requires only…

Machine Learning · Computer Science 2020-07-07 Wei Gao , Rong Jin , Shenghuo Zhu , Zhi-Hua Zhou

In the twilight of Moore's law, GPUs and other specialized hardware accelerators have dramatically sped up neural network training. However, earlier stages of the training pipeline, such as disk I/O and data preprocessing, do not run on…

Machine Learning · Computer Science 2020-05-11 Dami Choi , Alexandre Passos , Christopher J. Shallue , George E. Dahl

Despite significant efforts, the realization of the hybrid quantum-classical algorithms has predominantly been confined to proof-of-principles, mainly due to the hardware noise. With fault-tolerant implementation being a long-term goal,…

Quantum Physics · Physics 2025-04-10 Srushti Patil , Dibyendu Mondal , Rahul Maitra

Training machine learning algorithms is a computationally intensive process, which is frequently memory-bound due to repeatedly accessing large training datasets. As a result, processor-centric systems (e.g., CPU, GPU) suffer from costly…

Hardware Architecture · Computer Science 2022-08-04 Juan Gómez-Luna , Yuxin Guo , Sylvan Brocard , Julien Legriel , Remy Cimadomo , Geraldo F. Oliveira , Gagandeep Singh , Onur Mutlu

We introduce mlOSP, a computational template for Machine Learning for Optimal Stopping Problems. The template is implemented in the R statistical environment and publicly available via a GitHub repository. mlOSP presents a unified numerical…

Computational Finance · Quantitative Finance 2022-10-04 Mike Ludkovski

The in-memory computing paradigm with emerging memory devices has been recently shown to be a promising way to accelerate deep learning. Resistive processing unit (RPU) has been proposed to enable the vector-vector outer product in a…

Machine Learning · Computer Science 2020-04-24 Varun Bhatt , Shalini Shrivastava , Tanmay Chavan , Udayan Ganguly

In this paper, we focus on unsupervised representation learning for skeleton-based action recognition. Existing approaches usually learn action representations by sequential prediction but they suffer from the inability to fully learn…

Computer Vision and Pattern Recognition · Computer Science 2020-11-17 Shihao Xu , Haocong Rao , Xiping Hu , Bin Hu

Hardware neural networks that implement synaptic weights with embedded non-volatile memory, such as spin torque memory (ST-MRAM), are a major lead for low energy artificial intelligence. In this work, we propose an approximate storage…

Emerging Technologies · Computer Science 2018-10-26 Nicolas Locatelli , Adrien F. Vincent , Damien Querlioz