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Most meta-learning approaches assume the existence of a very large set of labeled data available for episodic meta-learning of base knowledge. This contrasts with the more realistic continual learning paradigm in which data arrives…

Computer Vision and Pattern Recognition · Computer Science 2021-11-12 Kai Wang , Xialei Liu , Andy Bagdanov , Luis Herranz , Shangling Jui , Joost van de Weijer

The Extreme Learning Machine (ELM) is a growing statistical technique widely applied to regression problems. In essence, ELMs are single-layer neural networks where the hidden layer weights are randomly sampled from a specific distribution,…

Machine Learning · Statistics 2025-07-31 Daniela De Canditiis , Fabiano Veglianti

This paper studies the fundamental problem of learning multi-layer generator models. The multi-layer generator model builds multiple layers of latent variables as a prior model on top of the generator, which benefits learning complex data…

Computer Vision and Pattern Recognition · Computer Science 2023-10-13 Jiali Cui , Ying Nian Wu , Tian Han

Although generative models hold promise for discovering molecules with optimized desired properties, they often fail to suggest synthesizable molecules that improve upon the known molecules seen in training. We find that a key limitation is…

Machine Learning · Computer Science 2025-01-07 Evan R. Antoniuk , Peggy Li , Nathan Keilbart , Stephen Weitzner , Bhavya Kailkhura , Anna M. Hiszpanski

Genome engineering is undergoing unprecedented development and is now becoming widely available. To ensure responsible biotechnology innovation and to reduce misuse of engineered DNA sequences, it is vital to develop tools to identify the…

Machine Learning · Computer Science 2021-11-25 Igor M. Soares , Fernando H. F. Camargo , Adriano Marques , Oliver M. Crook

As deep neural networks continue to revolutionize various application domains, there is increasing interest in making these powerful models more understandable and interpretable, and narrowing down the causes of good and bad predictions. We…

Machine Learning · Statistics 2016-11-21 Viktoriya Krakovna , Finale Doshi-Velez

Applying Reinforcement Learning (RL) to sequence generation models enables the direct optimization of long-term rewards (\textit{e.g.,} BLEU and human feedback), but typically requires large-scale sampling over a space of action sequences.…

Computation and Language · Computer Science 2023-08-07 Chenglong Wang , Hang Zhou , Yimin Hu , Yifu Huo , Bei Li , Tongran Liu , Tong Xiao , Jingbo Zhu

Developing new drugs is laborious and costly, demanding extensive time investment. In this paper, we introduce a de-novo drug design strategy, which harnesses the capabilities of language models to devise targeted drugs for specific…

Biomolecules · Quantitative Biology 2025-05-20 Salma J. Ahmed , Emad A. Mohammed

Hidden Markov model (HMM) has been successfully used for sequential data modeling problems. In this work, we propose to power the modeling capacity of HMM by bringing in neural network based generative models. The proposed model is termed…

Machine Learning · Computer Science 2020-05-26 Dong Liu , Antoine Honoré , Saikat Chatterjee , Lars K. Rasmussen

Sampling from known probability distributions is a ubiquitous task in computational science, underlying calculations in domains from linguistics to biology and physics. Generative machine-learning (ML) models have emerged as a promising…

High Energy Physics - Lattice · Physics 2023-09-06 Kyle Cranmer , Gurtej Kanwar , Sébastien Racanière , Danilo J. Rezende , Phiala E. Shanahan

Alignment of large language models (LLMs) with human preferences typically relies on supervised reward models or external judges that demand abundant annotations. However, in fields that rely on professional knowledge, such as medicine and…

Artificial Intelligence · Computer Science 2025-11-18 Yiyang Zhao , Huiyu Bai , Xuejiao Zhao

Named Entity Recognition (NER) models capable of Continual Learning (CL) are realistically valuable in areas where entity types continuously increase (e.g., personal assistants). Meanwhile the learning paradigm of NER advances to new…

Computation and Language · Computer Science 2023-07-18 Yunan Zhang , Qingcai Chen

Molecular representation learning contributes to multiple downstream tasks such as molecular property prediction and drug design. To properly represent molecules, graph contrastive learning is a promising paradigm as it utilizes…

Machine Learning · Computer Science 2022-03-14 Yin Fang , Qiang Zhang , Haihong Yang , Xiang Zhuang , Shumin Deng , Wen Zhang , Ming Qin , Zhuo Chen , Xiaohui Fan , Huajun Chen

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

Cross-domain sequential recommenders (CSRs) are gaining considerable research attention as they can capture user sequential preference by leveraging side information from multiple domains. However, these works typically follow an ideal…

Information Retrieval · Computer Science 2024-02-08 Xinhua Wang , Houping Yue , Zizheng Wang , Liancheng Xu , Jinyu Zhang

Molecular property prediction is a crucial foundation for drug discovery. In recent years, pre-trained deep learning models have been widely applied to this task. Some approaches that incorporate prior biological domain knowledge into the…

Machine Learning · Computer Science 2024-08-20 Tianyu Zhang , Yuxiang Ren , Chengbin Hou , Hairong Lv , Xuegong Zhang

Strategies for machine-learning(ML)-accelerated discovery that are general across materials composition spaces are essential, but demonstrations of ML have been primarily limited to narrow composition variations. By addressing the scarcity…

Active learning (AL) is a machine learning algorithm that can achieve greater accuracy with fewer labeled training instances, for having the ability to ask oracles to label the most valuable unlabeled data chosen iteratively and…

Machine Learning · Computer Science 2022-09-30 Ruoyu Wang

Modeling long-range dependencies in sequential data remains a central challenge in machine learning. Transformers address this challenge through attention mechanisms, but their quadratic complexity with respect to sequence length limits…

Machine Learning · Computer Science 2026-05-14 Hoang-Quan Nguyen , Sankalp Pandey , Khoa Luu

Interest in generative Electrocardiogram-Language Models (ELMs) is growing, as they can produce textual responses conditioned on ECG signals and textual queries. Unlike traditional classifiers that output label probabilities, ELMs are more…

Computation and Language · Computer Science 2025-10-02 Xiaoyu Song , William Han , Tony Chen , Chaojing Duan , Michael A. Rosenberg , Emerson Liu , Ding Zhao