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Predictive simulations of complex systems are essential for applications ranging from weather forecasting to drug design. The veracity of these predictions hinges on their capacity to capture the effective system dynamics. Massively…

Computational Physics · Physics 2021-10-20 Pantelis R. Vlachas , Georgios Arampatzis , Caroline Uhler , Petros Koumoutsakos

The remarkable success of pretrain-then-finetune paradigm has led to a proliferation of available pre-trained models for vision tasks. This surge presents a significant challenge in efficiently choosing the most suitable pre-trained models…

Computer Vision and Pattern Recognition · Computer Science 2025-07-22 Zixuan Hu , Xiaotong Li , Shixiang Tang , Jun Liu , Yichun Hu , Ling-Yu Duan

This letter proposes two novel proactive cooperative caching approaches using deep learning (DL) to predict users' content demand in a mobile edge caching network. In the first approach, a (central) content server takes responsibilities to…

Networking and Internet Architecture · Computer Science 2018-12-14 Yuris Mulya Saputra , Dinh Thai Hoang , Diep N. Nguyen , Eryk Dutkiewicz , Dusit Niyato , Dong In Kim

Improving the throughput of molecular docking, a computationally intensive phase of the virtual screening process, is a highly sought area of research since it has a significant weight in the drug designing process. With such improvements,…

Artificial Intelligence · Computer Science 2013-12-05 Upul Senanayake , Rahal Prabuddha , Roshan Ragel

A major driver behind the success of modern machine learning algorithms has been their ability to process ever-larger amounts of data. As a result, the use of distributed systems in both research and production has become increasingly…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-06-10 Fan Yang , Gabriel Barth-Maron , Piotr Stańczyk , Matthew Hoffman , Siqi Liu , Manuel Kroiss , Aedan Pope , Alban Rrustemi

Simulations of biological macromolecules play an important role in understanding the physical basis of a number of complex processes such as protein folding. Even with increasing computational power and evolution of specialized…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-09-18 Hyungro Lee , Heng Ma , Matteo Turilli , Debsindhu Bhowmik , Shantenu Jha , Arvind Ramanathan

Iterative detection and decoding (IDD) is known to achieve near-capacity performance in multi-antenna wireless systems. We propose deep-unfolded interleaved detection and decoding (DUIDD), a new paradigm that reduces the complexity of IDD…

Information Theory · Computer Science 2022-12-16 Reinhard Wiesmayr , Chris Dick , Jakob Hoydis , Christoph Studer

Virtual screening (VS) is an essential task in drug discovery, focusing on the identification of small-molecule ligands that bind to specific protein pockets. Existing deep learning methods, from early regression models to recent…

Machine Learning · Computer Science 2025-11-11 Bowei He , Bowen Gao , Yankai Chen , Yanyan Lan , Chen Ma , Philip S. Yu , Ya-Qin Zhang , Wei-Ying Ma

Edge deep learning, a paradigm change reconciling edge computing and deep learning, facilitates real-time decision making attuned to environmental factors through the close integration of computational resources and data sources. Here we…

Computer Vision and Pattern Recognition · Computer Science 2026-05-11 Yiwen Xu , Tariq M. Khan , Yang Song , Erik Meijering

Deep learning (DL) is the state-of-the-art methodology in various medical image segmentation tasks. However, it requires relatively large amounts of manually labeled training data, which may be infeasible to generate in some applications.…

Image and Video Processing · Electrical Eng. & Systems 2021-03-22 Long Xie , Laura E. M. Wisse , Jiancong Wang , Sadhana Ravikumar , Trevor Glenn , Anica Luther , Sydney Lim , David A. Wolk , Paul A. Yushkevich

Peer-to-peer deep learning algorithms are enabling distributed edge devices to collaboratively train deep neural networks without exchanging raw training data or relying on a central server. Peer-to-Peer Learning (P2PL) and other algorithms…

Machine Learning · Computer Science 2023-12-22 Srinivasa Pranav , José M. F. Moura

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

Process control and optimization have been widely used to solve decision-making problems in chemical engineering applications. However, identifying and tuning the best solution algorithm is challenging and time-consuming. Machine learning…

Systems and Control · Electrical Eng. & Systems 2024-12-25 Ilias Mitrai , Prodromos Daoutidis

The deep learning community has devised a diverse set of methods to make gradient optimization, using large datasets, of large and highly complex models with deeply cascaded nonlinearities, practical. Taken as a whole, these methods…

Machine Learning · Computer Science 2016-11-14 Atılım Güneş Baydin , Barak A. Pearlmutter , Jeffrey Mark Siskind

Deep learning implementations on CPUs (Central Processing Units) are gaining more traction. Enhanced AI capabilities on commodity x86 architectures are commercially appealing due to the reuse of existing hardware and virtualization ease. A…

Machine Learning · Computer Science 2021-03-22 Shabnam Daghaghi , Nicholas Meisburger , Mengnan Zhao , Yong Wu , Sameh Gobriel , Charlie Tai , Anshumali Shrivastava

The key challenge in semantic search is to create models that are both accurate and efficient in pinpointing relevant sentences for queries. While BERT-style bi-encoders excel in efficiency with pre-computed embeddings, they often miss…

Computation and Language · Computer Science 2024-06-26 Zihan Liao , Hang Yu , Jianguo Li , Jun Wang , Wei Zhang

Steel pipes are widely used in high-risk and high-pressure scenarios such as oil, chemical, natural gas, shale gas, etc. If there is some defect in steel pipes, it will lead to serious adverse consequences. Applying object detection in the…

Computer Vision and Pattern Recognition · Computer Science 2021-11-23 Dingming Yang , Yanrong Cui , Zeyu Yu , Hongqiang Yuan

Deep learning methods have permeated into the research area of computer-aided drug design. The deep learning generative model and classical algorithm can be simultaneously used for three-dimensional (3D) drug design in the 3D pocket of the…

Biomolecules · Quantitative Biology 2020-06-18 Qifeng Bai

The performance of deep neural networks is highly sensitive to the choice of the hyperparameters that define the structure of the network and the learning process. When facing a new application, tuning a deep neural network is a tedious and…

Machine Learning · Computer Science 2019-07-04 Dounia Lakhmiri , Sébastien Le Digabel , Christophe Tribes

Mixed Integer Linear Programming (MILP) is a fundamental tool for modeling combinatorial optimization problems. Recently, a growing body of research has used machine learning to accelerate MILP solving. Despite the increasing popularity of…

Machine Learning · Computer Science 2024-10-29 Weimin Huang , Taoan Huang , Aaron M Ferber , Bistra Dilkina