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Many applications of machine learning methods involve an iterative protocol in which data are collected, a model is trained, and then outputs of that model are used to choose what data to consider next. For example, one data-driven approach…

Machine Learning · Computer Science 2025-04-07 Clara Fannjiang , Stephen Bates , Anastasios N. Angelopoulos , Jennifer Listgarten , Michael I. Jordan

Learning effective protein representations is critical in a variety of tasks in biology such as predicting protein functions. Recent sequence representation learning methods based on Protein Language Models (PLMs) excel in sequence-based…

Quantitative Methods · Quantitative Biology 2023-10-19 Zuobai Zhang , Chuanrui Wang , Minghao Xu , Vijil Chenthamarakshan , Aurélie Lozano , Payel Das , Jian Tang

Meta-learning, or learning to learn, is a technique that can help to overcome resource scarcity in cross-lingual NLP problems, by enabling fast adaptation to new tasks. We apply model-agnostic meta-learning (MAML) to the task of…

Computation and Language · Computer Science 2022-03-24 Anna Langedijk , Verna Dankers , Phillip Lippe , Sander Bos , Bryan Cardenas Guevara , Helen Yannakoudakis , Ekaterina Shutova

In recent years, protein-text models have gained significant attention for their potential in protein generation and understanding. Current approaches focus on integrating protein-related knowledge into large language models through…

Computation and Language · Computer Science 2025-11-11 Juntong Wu , Zijing Liu , He Cao , Hao Li , Bin Feng , Zishan Shu , Ke Yu , Li Yuan , Yu Li

Chemists in search of structure-property relationships face great challenges due to limited high quality, concordant datasets. Machine learning (ML) has significantly advanced predictive capabilities in chemical sciences, but these modern…

Machine Learning · Computer Science 2025-09-18 Yulia Pimonova , Michael G. Taylor , Alice Allen , Ping Yang , Nicholas Lubbers

Predicting mechanical properties in metal additive manufacturing (MAM) is essential for ensuring the performance and reliability of printed parts, as well as their suitability for specific applications. However, conducting experiments to…

Machine Learning · Computer Science 2024-11-01 Parand Akbari , Masoud Zamani , Amir Mostafaei

The parallels between protein sequences and natural language in their sequential structures have inspired the application of large language models (LLMs) to protein understanding. Despite the success of LLMs in NLP, their effectiveness in…

Quantitative Methods · Quantitative Biology 2024-07-09 Yiqing Shen , Zan Chen , Michail Mamalakis , Luhan He , Haiyang Xia , Tianbin Li , Yanzhou Su , Junjun He , Yu Guang Wang

Masked Language Modeling (MLM) has been widely used as the denoising objective in pre-training language models (PrLMs). Existing PrLMs commonly adopt a Random-Token Masking strategy where a fixed masking ratio is applied and different…

Computation and Language · Computer Science 2023-05-26 Dongjie Yang , Zhuosheng Zhang , Hai Zhao

Previous studies on continual knowledge learning (CKL) in large language models (LLMs) have predominantly focused on approaches such as regularization, architectural modifications, and rehearsal techniques to mitigate catastrophic…

Computation and Language · Computer Science 2025-02-06 Yeongbin Seo , Dongha Lee , Jinyoung Yeo

Designing novel functional proteins crucially depends on accurately modeling their fitness landscape. Given the limited availability of functional annotations from wet-lab experiments, previous methods have primarily relied on…

Machine Learning · Computer Science 2024-12-03 Zuobai Zhang , Pascal Notin , Yining Huang , Aurélie Lozano , Vijil Chenthamarakshan , Debora Marks , Payel Das , Jian Tang

Large language models are powerful but costly. We ask whether meta-learning can make the pretraining of small language models not only better but also more interpretable. We integrate first-order MAML with subset-masked LM pretraining,…

Computation and Language · Computer Science 2025-11-10 David Demitri Africa , Yuval Weiss , Paula Buttery , Richard Diehl Martinez

Effective protein representation learning is crucial for predicting protein functions. Traditional methods often pretrain protein language models on large, unlabeled amino acid sequences, followed by finetuning on labeled data. While…

Biomolecules · Quantitative Biology 2024-09-05 Jiangbin Zheng , Stan Z. Li

Model-agnostic meta-learning (MAML) is a meta-learning technique to train a model on a multitude of learning tasks in a way that primes the model for few-shot learning of new tasks. The MAML algorithm performs well on few-shot learning…

Machine Learning · Computer Science 2020-01-22 Harkirat Singh Behl , Atılım Güneş Baydin , Philip H. S. Torr

Masked language modeling (MLM) is the standard objective for training protein language models, typically implemented by randomly masking individual residues at a fixed rate (e.g., 15%). This practice implicitly assumes that all sequence…

Machine Learning · Computer Science 2026-05-19 Thomas Walton , Ayan Goel , Amirali Aghazadeh

A major problem of machine-learning approaches in structural dynamics is the frequent lack of structural data. Inspired by the recently-emerging field of population-based structural health monitoring (PBSHM), and the use of transfer…

Machine Learning · Computer Science 2023-02-17 G. Tsialiamanis , N. Dervilis , D. J. Wagg , K. Worden

Recently, prompt tuning \cite{lester2021power} has gradually become a new paradigm for NLP, which only depends on the representation of the words by freezing the parameters of pre-trained language models (PLMs) to obtain remarkable…

Computation and Language · Computer Science 2022-01-31 Pan He , Yuxi Chen , Yan Wang , Yanru Zhang

We introduce a pioneering methodology for boosting large language models in the domain of protein representation learning. Our primary contribution lies in the refinement process for correlating the over-reliance on co-evolution knowledge,…

Artificial Intelligence · Computer Science 2024-12-05 Yaoyao Xu , Xinjian Zhao , Xiaozhuang Song , Benyou Wang , Tianshu Yu

Despite recent advances in protein-ligand structure prediction, deep learning methods remain limited in their ability to accurately predict binding affinities, particularly for novel protein targets dissimilar from the training set. In…

Quantitative Methods · Quantitative Biology 2025-12-04 Michael Brocidiacono , James Wellnitz , Konstantin I. Popov , Alexander Tropsha

While protein language models (pLMs) have transformed biological research, the scaling laws governing their improvement remain underexplored. By adapting methodologies from NLP scaling laws, we investigated the optimal ratio between model…

Biomolecules · Quantitative Biology 2024-06-27 Yaiza Serrano , Álvaro Ciudad , Alexis Molina

Data in biology is redundant, noisy, and sparse. How does the type and scale of available data impact model performance? In this work, we specifically investigate how protein language models (pLMs) scale with increasing pretraining data. We…

Quantitative Methods · Quantitative Biology 2025-07-31 Aviv Spinner , Erika DeBenedictis , Corey M. Hudson