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The optimization of Artificial Neural Networks (ANNs) is an important task to the success of using these models in real-world applications. The solutions adopted to this task are expensive in general, involving trial-and-error procedures or…

神经与进化计算 · 计算机科学 2021-09-29 Tarsicio Lucas , Teresa Ludermir , Ricardo Prudencio , Carlos Soares

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…

机器学习 · 计算机科学 2016-11-11 Han Altae-Tran , Bharath Ramsundar , Aneesh S. Pappu , Vijay Pande

This study explores the application and performance of Transformational Machine Learning (TML) in drug discovery. TML, a meta learning algorithm, excels in exploiting common attributes across various domains, thus developing composite…

生物大分子 · 定量生物学 2023-10-02 Adnan Mahmud , Oghenejokpeme Orhobor , Ross D. King

Meta-learning has become a practical approach towards few-shot image classification, where "a strategy to learn a classifier" is meta-learned on labeled base classes and can be applied to tasks with novel classes. We remove the requirement…

计算机视觉与模式识别 · 计算机科学 2022-06-10 Han-Jia Ye , Lu Han , De-Chuan Zhan

Multi-Instance Multi-Label learning (MIML) models complex objects (bags), each of which is associated with a set of interrelated labels and composed with a set of instances. Current MIML solutions still focus on a single-type of objects and…

机器学习 · 计算机科学 2021-11-09 Yuanlin Yang , Guoxian Yu , Jun Wang , Lei Liu , Carlotta Domeniconi , Maozu Guo

Background and objective: Employing deep learning models in critical domains such as medical imaging poses challenges associated with the limited availability of training data. We present a strategy for improving the performance and…

计算机视觉与模式识别 · 计算机科学 2024-03-27 Eva Pachetti , Sotirios A. Tsaftaris , Sara Colantonio

Efficient materials discovery requires reducing costly first-principles calculations for training machine-learned interatomic potentials (MLIPs). We develop an active learning (AL) framework that iteratively selects informative structures…

机器学习 · 计算机科学 2026-01-22 Mohammed Azeez Khan , Aaron D'Souza , Vijay Choyal

Meta-learning for few-shot learning allows a machine to leverage previously acquired knowledge as a prior, thus improving the performance on novel tasks with only small amounts of data. However, most mainstream models suffer from…

机器学习 · 计算机科学 2019-11-13 Yadan Luo , Zi Huang , Zheng Zhang , Ziwei Wang , Mahsa Baktashmotlagh , Yang Yang

Effective implementations of sampling-based probabilistic inference often require manually constructed, model-specific proposals. Inspired by recent progresses in meta-learning for training learning agents that can generalize to unseen…

人工智能 · 计算机科学 2019-01-03 Tongzhou Wang , Yi Wu , David A. Moore , Stuart J. Russell

Demand prediction is a crucial task for e-commerce and physical retail businesses, especially during high-stake sales events. However, the limited availability of historical data from these peak periods poses a significant challenge for…

机器学习 · 计算机科学 2024-06-25 Zexing Xu , Linjun Zhang , Sitan Yang , Rasoul Etesami , Hanghang Tong , Huan Zhang , Jiawei Han

Compared to humans, machine learning models generally require significantly more training examples and fail to extrapolate from experience to solve previously unseen challenges. To help close this performance gap, we augment single-task…

机器学习 · 计算机科学 2018-07-27 Tailin Wu , John Peurifoy , Isaac L. Chuang , Max Tegmark

Meta-learning of shared initialization parameters has shown to be highly effective in solving few-shot learning tasks. However, extending the framework to many-shot scenarios, which may further enhance its practicality, has been relatively…

机器学习 · 计算机科学 2022-02-17 Jaewoong Shin , Hae Beom Lee , Boqing Gong , Sung Ju Hwang

Neural networks have been successfully applied in applications with a large amount of labeled data. However, the task of rapid generalization on new concepts with small training data while preserving performances on previously learned ones…

机器学习 · 计算机科学 2017-06-09 Tsendsuren Munkhdalai , Hong Yu

Model agnostic meta-learning (MAML) is one of the most widely used gradient-based meta-learning, consisting of two optimization loops: an inner loop and outer loop. MAML learns the new task from meta-initialization parameters with an inner…

机器学习 · 计算机科学 2024-06-10 Jongyun Shin , Seunjin Han , Jangho Kim

Meta-learning has achieved great success in leveraging the historical learned knowledge to facilitate the learning process of the new task. However, merely learning the knowledge from the historical tasks, adopted by current meta-learning…

计算与语言 · 计算机科学 2021-09-13 Huaxiu Yao , Yingxin Wu , Maruan Al-Shedivat , Eric P. Xing

The objective of meta-learning is to exploit the knowledge obtained from observed tasks to improve adaptation to unseen tasks. As such, meta-learners are able to generalize better when they are trained with a larger number of observed tasks…

机器学习 · 计算机科学 2022-10-11 Mert Kayaalp , Stefan Vlaski , Ali H. Sayed

In the field of chemistry, the objective is to create novel molecules with desired properties, facilitating accurate property predictions for applications such as material design and drug screening. However, existing graph deep learning…

机器学习 · 计算机科学 2024-08-28 Sakhinana Sagar Srinivas , Venkataramana Runkana

Chemical pretrained models, sometimes referred to as foundation models, are receiving considerable interest for drug discovery applications. The general chemical knowledge extracted from self-supervised training has the potential to improve…

机器学习 · 计算机科学 2025-10-15 Matthew Adrian , Yunsie Chung , Kevin Boyd , Saee Paliwal , Srimukh Prasad Veccham , Alan C. Cheng

The goal of optimization-based meta-learning is to find a single initialization shared across a distribution of tasks to speed up the process of learning new tasks. Conditional meta-learning seeks task-specific initialization to better…

机器学习 · 计算机科学 2020-10-20 Ruohan Wang , Yiannis Demiris , Carlo Ciliberto

For languages with no annotated resources, transferring knowledge from rich-resource languages is an effective solution for named entity recognition (NER). While all existing methods directly transfer from source-learned model to a target…

计算与语言 · 计算机科学 2020-07-16 Qianhui Wu , Zijia Lin , Guoxin Wang , Hui Chen , Börje F. Karlsson , Biqing Huang , Chin-Yew Lin