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The performance of machine learning models in drug discovery is highly dependent on the quality and consistency of the underlying training data. Due to limitations in dataset sizes, many models are trained by aggregating bioactivity data…

Machine Learning · Computer Science 2025-11-21 Vincent Fan , Regina Barzilay

This paper addresses the problem of efficiently classifying high-dimensional data over decentralized networks. Penalized support vector machines (SVMs) are widely used for high-dimensional classification tasks. However, the double…

Machine Learning · Statistics 2025-03-11 Canyi Chen , Nan Qiao , Liping Zhu

Deep learning has become in recent years a cornerstone tool fueling key innovations in the industry, such as autonomous driving. To attain good performances, the neural network architecture used for a given application must be chosen with…

Computer Vision and Pattern Recognition · Computer Science 2021-09-17 Anthony Cazasnoves , Pierre-Antoine Ganaye , Kévin Sanchis , Tugdual Ceillier

Recent advances in machine learning have made significant contributions to drug discovery. Deep neural networks in particular have been demonstrated to provide significant boosts in predictive power when inferring the properties and…

Machine Learning · Computer Science 2016-11-11 Han Altae-Tran , Bharath Ramsundar , Aneesh S. Pappu , Vijay Pande

One-shot neural architecture search (NAS) applies weight-sharing supernet to reduce the unaffordable computation overhead of automated architecture designing. However, the weight-sharing technique worsens the ranking consistency of…

Computer Vision and Pattern Recognition · Computer Science 2021-08-13 Ziwei Yang , Ruyi Zhang , Zhi Yang , Xubo Yang , Lei Wang , Zheyang Li

To incentivize flexible resources such as Battery Energy Storage Systems (BESSs) to offer Frequency Control Ancillary Services (FCAS), Australia's National Electricity Market (NEM) has implemented changes in recent years towards…

Systems and Control · Electrical Eng. & Systems 2024-06-04 Borui Zhang , Chaojie Li , Guo Chen , Zhaoyang Dong

With the advent of large language models (LLMs), there has been a great deal of interest in applying them to solve difficult programming tasks. Recent work has demonstrated their potential at program optimization, a key challenge in…

Machine Learning · Computer Science 2025-02-03 Sagnik Anupam , Alexander Shypula , Osbert Bastani

Neural sequence models are widely used to model time-series data. Equally ubiquitous is the usage of beam search (BS) as an approximate inference algorithm to decode output sequences from these models. BS explores the search space in a…

Artificial Intelligence · Computer Science 2018-10-23 Ashwin K Vijayakumar , Michael Cogswell , Ramprasath R. Selvaraju , Qing Sun , Stefan Lee , David Crandall , Dhruv Batra

The Adaptive Large Neighborhood Search (ALNS) algorithm has shown considerable success in solving combinatorial optimization problems (COPs). Nonetheless, the performance of ALNS relies on the proper configuration of its selection and…

Machine Learning · Computer Science 2024-10-15 Robbert Reijnen , Yingqian Zhang , Hoong Chuin Lau , Zaharah Bukhsh

Neural Architecture Search (NAS) is an exciting new field which promises to be as much as a game-changer as Convolutional Neural Networks were in 2012. Despite many great works leading to substantial improvements on a variety of tasks,…

Machine Learning · Computer Science 2020-02-17 Antoine Yang , Pedro M. Esperança , Fabio M. Carlucci

To preserve user privacy while enabling mobile intelligence, techniques have been proposed to train deep neural networks on decentralized data. However, training over decentralized data makes the design of neural architecture quite…

Machine Learning · Computer Science 2022-07-07 Jinliang Yuan , Mengwei Xu , Yuxin Zhao , Kaigui Bian , Gang Huang , Xuanzhe Liu , Shangguang Wang

In the realm of deep learning-based recommendation systems, the increasing computational demands, driven by the growing number of users and items, pose a significant challenge to practical deployment. This challenge is primarily twofold:…

Information Retrieval · Computer Science 2024-02-06 Shuyao Wang , Yongduo Sui , Jiancan Wu , Zhi Zheng , Hui Xiong

The Active Subspace (AS) method is a widely used technique for identifying the most influential directions in high-dimensional input spaces that affect the output of a computational model. The standard AS algorithm requires a sufficient…

Numerical Analysis · Mathematics 2025-10-24 Fabio Nobile , Matteo Raviola , Raul Tempone

It is well known that we need to choose the hyper-parameters in Momentum, AdaGrad, AdaDelta, and other alternative stochastic optimizers. While in many cases, the hyper-parameters are tuned tediously based on experience becoming more of an…

Machine Learning · Computer Science 2022-04-05 Jun Lu

Alternating Direction Method of Multipliers (ADMM) is a popular algorithm for distributed learning, where a network of nodes collaboratively solve a regularized empirical risk minimization by iterative local computation associated with…

Machine Learning · Computer Science 2020-05-19 Zonghao Huang , Yanmin Gong

Convolutional Neural Networks have been used in a variety of image related applications after their rise in popularity due to ImageNet competition. Convolutional Neural Networks have shown remarkable results in applications including face…

Machine Learning · Computer Science 2023-01-18 Anshumaan Chauhan , Siddhartha Bhattacharyya , S. Vadivel

Recent advancement in deep learning encouraged developing large automatic speech recognition (ASR) models that achieve promising results while ignoring computational and memory constraints. However, deploying such models on low resource…

Computer Vision and Pattern Recognition · Computer Science 2025-05-29 Abdul Hannan , Alessio Brutti , Shah Nawaz , Mubashir Noman

Deep learning (DL) techniques have recently found success in anomaly detection (AD) across various fields such as finance, medical services, and cloud computing. However, most of the current research tends to view deep AD algorithms as a…

Machine Learning · Computer Science 2023-10-31 Minqi Jiang , Chaochuan Hou , Ao Zheng , Songqiao Han , Hailiang Huang , Qingsong Wen , Xiyang Hu , Yue Zhao

Automated design of chemical formulations is a cornerstone of materials science, yet it requires navigating a high-dimensional combinatorial space involving discrete compositional choices and continuous geometric constraints. Existing Large…

Artificial Intelligence · Computer Science 2026-04-17 Jiangyu Chen

Ad-hoc search calls for the selection of appropriate answers from a massive-scale corpus. Nowadays, the embedding-based retrieval (EBR) becomes a promising solution, where deep learning based document representation and ANN search…

Information Retrieval · Computer Science 2022-03-03 Shitao Xiao , Zheng Liu , Weihao Han , Jianjin Zhang , Yingxia Shao , Defu Lian , Chaozhuo Li , Hao Sun , Denvy Deng , Liangjie Zhang , Qi Zhang , Xing Xie
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