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Lead optimization in drug discovery requires efficiently navigating vast chemical space through iterative cycles to enhance molecular properties while preserving structural similarity to the original lead compound. Despite recent advances,…

Machine Learning · Computer Science 2025-09-29 Ziqing Wang , Yibo Wen , William Pattie , Xiao Luo , Weimin Wu , Jerry Yao-Chieh Hu , Abhishek Pandey , Han Liu , Kaize Ding

Many optimizers have been proposed for training deep neural networks, and they often have multiple hyperparameters, which make it tricky to benchmark their performance. In this work, we propose a new benchmarking protocol to evaluate both…

Machine Learning · Computer Science 2020-10-21 Yuanhao Xiong , Xuanqing Liu , Li-Cheng Lan , Yang You , Si Si , Cho-Jui Hsieh

Most decentralized optimization algorithms are handcrafted. While endowed with strong theoretical guarantees, these algorithms generally target a broad class of problems, thereby not being adaptive or customized to specific problem…

Optimization and Control · Mathematics 2024-10-03 Yutong He , Qiulin Shang , Xinmeng Huang , Jialin Liu , Kun Yuan

Meta-learning is a branch of machine learning which aims to quickly adapt models, such as neural networks, to perform new tasks by learning an underlying structure across related tasks. In essence, models are being trained to learn new…

Continual Learning (CL) is a field dedicated to devise algorithms able to achieve lifelong learning. Overcoming the knowledge disruption of previously acquired concepts, a drawback affecting deep learning models and that goes by the name of…

Computer Vision and Pattern Recognition · Computer Science 2023-01-04 Francesco Pelosin

Recent research has proposed a series of specialized optimization algorithms for deep multi-task models. It is often claimed that these multi-task optimization (MTO) methods yield solutions that are superior to the ones found by simply…

Machine Learning · Computer Science 2022-09-26 Derrick Xin , Behrooz Ghorbani , Ankush Garg , Orhan Firat , Justin Gilmer

Deep learning have achieved promising results on a wide spectrum of AI applications. Larger datasets and models consistently yield better performance. However, we generally spend longer training time on more computation and communication.…

Machine Learning · Computer Science 2021-11-03 Xiaoxin He , Fuzhao Xue , Xiaozhe Ren , Yang You

Active learning (AL) aims to enable training high performance classifiers with low annotation cost by predicting which subset of unlabelled instances would be most beneficial to label. The importance of AL has motivated extensive research,…

Machine Learning · Computer Science 2018-06-14 Kunkun Pang , Mingzhi Dong , Yang Wu , Timothy Hospedales

Nowadays, Large Language Models (LLMs) have been trained using extended context lengths to foster more creative applications. However, long context training poses great challenges considering the constraint of GPU memory. It not only leads…

Machine Learning · Computer Science 2025-01-16 Pinxue Zhao , Hailin Zhang , Fangcheng Fu , Xiaonan Nie , Qibin Liu , Fang Yang , Yuanbo Peng , Dian Jiao , Shuaipeng Li , Jinbao Xue , Yangyu Tao , Bin Cui

Meta continual learning algorithms seek to train a model when faced with similar tasks observed in a sequential manner. Despite promising methodological advancements, there is a lack of theoretical frameworks that enable analysis of…

Machine Learning · Computer Science 2020-10-12 R. Krishnan , Prasanna Balaprakash

By introducing several improvements to the AlphaZero process and architecture, we greatly accelerate self-play learning in Go, achieving a 50x reduction in computation over comparable methods. Like AlphaZero and replications such as ELF…

Machine Learning · Computer Science 2020-11-10 David J. Wu

Meta-learning, or learning to learn, is a machine learning approach that utilizes prior learning experiences to expedite the learning process on unseen tasks. As a data-driven approach, meta-learning requires meta-features that represent…

Machine Learning · Computer Science 2021-01-12 Hadi S. Jomaa , Lars Schmidt-Thieme , Josif Grabocka

Meta Learning has been in focus in recent years due to the meta-learner model's ability to adapt well and generalize to new tasks, thus, reducing both the time and data requirements for learning. However, a major drawback of meta learner is…

Machine Learning · Computer Science 2021-10-28 Varad Pimpalkhute , Amey Pandit , Mayank Mishra , Rekha Singhal

Deep Learning has revolutionized machine learning and artificial intelligence, achieving superhuman performance in several standard benchmarks. It is well-known that deep learning models are inefficient to train; they learn by processing…

Machine Learning · Computer Science 2021-12-03 Fartash Faghri

Meta-reinforcement learning algorithms can enable robots to acquire new skills much more quickly, by leveraging prior experience to learn how to learn. However, much of the current research on meta-reinforcement learning focuses on task…

In recent years, by leveraging more data, computation, and diverse tasks, learned optimizers have achieved remarkable success in supervised learning, outperforming classical hand-designed optimizers. Reinforcement learning (RL) is…

Machine Learning · Computer Science 2024-06-05 Qingfeng Lan , A. Rupam Mahmood , Shuicheng Yan , Zhongwen Xu

The advent of the transformer has sparked a quick growth in the size of language models, far outpacing hardware improvements. (Dense) transformers are expected to reach the trillion-parameter scale in the near future, for which training…

Machine Learning · Computer Science 2021-06-08 Joel Lamy-Poirier

Learning to optimize (L2O) is an emerging approach that leverages machine learning to develop optimization methods, aiming at reducing the laborious iterations of hand engineering. It automates the design of an optimization method based on…

Optimization and Control · Mathematics 2021-07-05 Tianlong Chen , Xiaohan Chen , Wuyang Chen , Howard Heaton , Jialin Liu , Zhangyang Wang , Wotao Yin

Meta-learning is a branch of machine learning which trains neural network models to synthesize a wide variety of data in order to rapidly solve new problems. In process control, many systems have similar and well-understood dynamics, which…

Systems and Control · Electrical Eng. & Systems 2022-09-20 Daniel G. McClement , Nathan P. Lawrence , Johan U. Backstrom , Philip D. Loewen , Michael G. Forbes , R. Bhushan Gopaluni

Meta-learning, or "learning to learn," is a subfield of machine learning where the goal is to develop models and algorithms that can learn from various tasks and improve their learning process over time. Unlike traditional machine learning…

Machine Learning · Computer Science 2024-07-23 Mouad El Bouchattaoui
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