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Machine learning surrogate models for quantum mechanical simulations has enabled the field to efficiently and accurately study material and molecular systems. Developed models typically rely on a substantial amount of data to make reliable…

Computational Physics · Physics 2020-12-10 Muhammed Shuaibi , Saurabh Sivakumar , Rui Qi Chen , Zachary W. Ulissi

The transformer is the most critical algorithm innovation of the Nature Language Processing (NLP) field in recent years. Unlike the Recurrent Neural Network (RNN) models, Transformers can process on dimensions of sequence lengths in…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-02-23 Jiarui Fang , Yang Yu , Chengduo Zhao , Jie Zhou

Reinforcement learning (RL) has become the pivotal post-training technique for large language model (LLM). Effectively scaling reinforcement learning is now the key to unlocking advanced reasoning capabilities and ensuring safe,…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-09-10 Zhixin Wang , Tianyi Zhou , Liming Liu , Ao Li , Jiarui Hu , Dian Yang , Yinhui Lu , Jinlong Hou , Siyuan Feng , Yuan Cheng , Yuan Qi

Large language models (LLMs) have been demonstrated to possess the capabilities to understand fundamental graph properties and address various graph reasoning tasks. Existing methods fine-tune LLMs to understand and execute graph reasoning…

Machine Learning · Computer Science 2024-12-18 Rongzheng Wang , Shuang Liang , Qizhi Chen , Jiasheng Zhang , Ke Qin

Empowered by the backpropagation (BP) algorithm, deep neural networks have dominated the race in solving various cognitive tasks. The restricted training pattern in the standard BP requires end-to-end error propagation, causing large memory…

Machine Learning · Computer Science 2022-05-17 Wenzhe Guo , Mohammed E Fouda , Ahmed M. Eltawil , Khaled N. Salama

The energy and latency costs of deep neural network inference are increasingly driven by deployment rather than training, motivating hardware-specialized alternatives to arithmetic-heavy models. Field-Programmable Gate Arrays (FPGAs)…

Machine Learning · Computer Science 2026-02-10 Simon Bührer , Andreas Plesner , Aczel Till , Roger Wattenhofer

Automatic differentiation (AD) frameworks such as JAX and PyTorch have enabled gradient-based optimization for a wide range of scientific fields. Yet, many "hard" primitives in these libraries such as thresholding, Boolean logic, discrete…

Machine Learning · Computer Science 2026-03-11 Anselm Paulus , A. René Geist , Vít Musil , Sebastian Hoffmann , Onur Beker , Georg Martius

Deep Neural Networks (DNNs) have achieved im- pressive accuracy in many application domains including im- age classification. Training of DNNs is an extremely compute- intensive process and is solved using variants of the stochastic…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-11-03 Sameer Kumar , Dheeraj Sreedhar , Vaibhav Saxena , Yogish Sabharwal , Ashish Verma

We present softdtw-cuda-torch, an open-source PyTorch library for computing Soft Dynamic Time Warping (SoftDTW) on GPUs. Our implementation addresses three key limitations of existing GPU implementations of SoftDTW: a hard sequence-length…

Machine Learning · Computer Science 2026-02-20 Ron Shapira Weber , Oren Freifeld

Deep Learning (DL) is one of the hottest trends in machine learning as DL approaches produced results superior to the state-of-the-art in problematic areas such as image processing and natural language processing (NLP). To foster the growth…

Machine Learning · Computer Science 2020-05-07 Ghadeer Al-Bdour , Raffi Al-Qurran , Mahmoud Al-Ayyoub , Ali Shatnawi

Supercomputer FCFS-based scheduling policies result in many transient idle nodes, a phenomenon that is only partially alleviated by backfill scheduling methods that promote small jobs to run before large jobs. Here we describe how to…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-06-24 Zhengchun Liu , Rajkumar Kettimuthu , Michael E. Papka , Ian Foster

Neural network deployment on low-cost embedded systems, hence on microcontrollers (MCUs), has recently been attracting more attention than ever. Since MCUs have limited memory capacity as well as limited compute-speed, it is critical that…

Machine Learning · Computer Science 2021-03-31 Eren Dogan , H. Fatih Ugurdag , Hasan Unlu

Deep learning has had remarkable success in robotic perception, but its data-centric nature suffers when it comes to generalizing to ever-changing environments. By contrast, physics-based optimization generalizes better, but it does not…

Deep learning has achieved impressive performance in many domains, such as computer vision and natural language processing, but its advantage over classical shallow methods on tabular datasets remains questionable. It is especially…

Machine Learning · Computer Science 2023-08-25 Witold Wydmański , Oleksii Bulenok , Marek Śmieja

Backpropagation through time (BPTT) is the standard algorithm for training recurrent neural networks (RNNs), which requires separate simulation phases for the forward and backward passes for inference and learning, respectively. Moreover,…

Machine Learning · Computer Science 2023-03-13 Anand Subramoney

In recent years, deep learning has made remarkable progress in a wide range of domains, with a particularly notable impact on natural language processing tasks. One of the challenges associated with training deep neural networks in the…

Machine Learning · Computer Science 2024-06-27 Hanna Mazzawi , Xavi Gonzalvo , Michael Wunder , Sammy Jerome , Benoit Dherin

Deep Reinforcement Learning (DRL) is vital in various AI applications. DRL algorithms comprise diverse compute kernels, which may not be simultaneously optimized using a homogeneous architecture. However, even with available heterogeneous…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-11-17 Yuan Meng , Michael Kinsner , Deshanand Singh , Mahesh A Iyer , Viktor Prasanna

Machine learning (ML) workloads launch hundreds to thousands of short-running GPU kernels per iteration. With GPU compute throughput growing rapidly, CPU-side launch latency of kernels is emerging as a bottleneck. CUDA Graphs promise to…

Machine Learning · Computer Science 2025-12-24 Abhishek Ghosh , Ajay Nayak , Ashish Panwar , Arkaprava Basu

Deep Neural Networks have now achieved state-of-the-art results in a wide range of tasks including image classification, object detection and so on. However, they are both computation consuming and memory intensive, making them difficult to…

Machine Learning · Computer Science 2019-11-13 Xianda Xu , Marco Pedersoli

DeepSearch paradigms have become a core enabler for deep reasoning models, allowing them to invoke external search tools to access up-to-date, domain-specific knowledge beyond parametric boundaries, thereby enhancing the depth and factual…

Artificial Intelligence · Computer Science 2025-12-11 Hengzhi Lan , Yue Yu , Li Qian , Li Peng , Jie Wu , Wei Liu , Jian Luan , Ting Bai