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Developing machine learning-based interatomic potentials from ab-initio electronic structure methods remains a challenging task for computational chemistry and materials science. This work studies the capability of transfer learning, in…

Computational Physics · Physics 2023-03-22 Viktor Zaverkin , David Holzmüller , Luca Bonfirraro , Johannes Kästner

In practice, it is very demanding and sometimes impossible to collect datasets of tagged data large enough to successfully train a machine learning model, and one possible solution to this problem is transfer learning. This study aims to…

Machine Learning · Computer Science 2022-01-13 Erik Otović , Marko Njirjak , Dario Jozinović , Goran Mauša , Alberto Michelini , Ivan Štajduhar

Tables stored in databases and tables which are present in web pages and articles account for a large part of semi-structured data that is available on the internet. It then becomes pertinent to develop a modeling approach with large…

Computation and Language · Computer Science 2023-10-03 Soumajyoti Sarkar , Leonard Lausen

Dynamical systems that evolve continuously over time are ubiquitous throughout science and engineering. Machine learning (ML) provides data-driven approaches to model and predict the dynamics of such systems. A core issue with this approach…

Machine Learning · Computer Science 2023-11-23 Aditi S. Krishnapriyan , Alejandro F. Queiruga , N. Benjamin Erichson , Michael W. Mahoney

Scaled post-training now drives many of the largest capability gains in language models (LMs), yet its effect on pretrained knowledge remains poorly understood. Not all forgetting is equal: Forgetting one fact (e.g., a U.S. president or an…

Machine Learning · Computer Science 2025-10-21 Jackson Harmon , Andreas Hochlehnert , Matthias Bethge , Ameya Prabhu

This study presents a broad perspective of hybrid process modeling and optimization combining the scientific knowledge and data analytics in bioprocessing and chemical engineering with a science-guided machine learning (SGML) approach. We…

Machine Learning · Computer Science 2022-01-26 Niket Sharma , Y. A. Liu

As a fundamental problem in transfer learning, model selection aims to rank off-the-shelf pre-trained models and select the most suitable one for the new target task. Existing model selection techniques are often constrained in their scope…

Computer Vision and Pattern Recognition · Computer Science 2024-03-12 Jiameng Bai , Sai Wu , Jie Song , Junbo Zhao , Gang Chen

Transformer-based models for transfer learning have the potential to achieve high prediction accuracies on text-based supervised learning tasks with relatively few training data instances. These models are thus likely to benefit social…

Computation and Language · Computer Science 2022-09-01 Sandra Wankmüller

This paper addresses the limited transfer and adaptation capabilities of large language models in low-resource language scenarios. It proposes a unified framework that combines a knowledge transfer module with parameter-efficient…

Computation and Language · Computer Science 2025-07-03 Shuangquan Lyu , Yingnan Deng , Guiran Liu , Zhen Qi , Ruotong Wang

As transformer evolves, pre-trained models have advanced at a breakneck pace in recent years. They have dominated the mainstream techniques in natural language processing (NLP) and computer vision (CV). How to adapt pre-training to the…

Computer Vision and Pattern Recognition · Computer Science 2022-07-19 Yifan Du , Zikang Liu , Junyi Li , Wayne Xin Zhao

Pretraining NLP models with variants of Masked Language Model (MLM) objectives has recently led to a significant improvements on many tasks. This paper examines the benefits of pretrained models as a function of the number of training…

Computation and Language · Computer Science 2020-06-17 Sinong Wang , Madian Khabsa , Hao Ma

Self-supervised learning (SSL) foundation models have emerged as powerful, domain-agnostic, general-purpose feature extractors applicable to a wide range of tasks. Such models pre-trained on human speech have demonstrated high…

Machine Learning · Computer Science 2025-01-22 Eklavya Sarkar , Mathew Magimai. -Doss

In data-rich domains such as vision, language, and speech, deep learning prevails to deliver high-performance task-specific models and can even learn general task-agnostic representations for efficient finetuning to downstream tasks.…

Machine Learning · Computer Science 2023-12-07 Pin-Yu Chen

Over the past six years, molecular transformer models have become key tools in drug discovery. Most existing models are pre-trained on large, unlabeled datasets such as ZINC or ChEMBL. However, the extent to which large-scale pre-training…

Machine Learning · Computer Science 2025-05-23 Afnan Sultan , Max Rausch-Dupont , Shahrukh Khan , Olga Kalinina , Dietrich Klakow , Andrea Volkamer

Transfer learning has fundamentally changed the landscape of natural language processing (NLP) research. Many existing state-of-the-art models are first pre-trained on a large text corpus and then fine-tuned on downstream tasks. However,…

Computation and Language · Computer Science 2021-09-10 Haoming Jiang , Pengcheng He , Weizhu Chen , Xiaodong Liu , Jianfeng Gao , Tuo Zhao

The ability to transfer knowledge from prior experiences to novel tasks stands as a pivotal capability of intelligent agents, including both humans and computational models. This principle forms the basis of transfer learning, where large…

Artificial Intelligence · Computer Science 2025-07-16 Sudarshan Babu

Molecules have a number of distinct properties whose importance and application vary. Often, in reality, labels for some properties are hard to achieve despite their practical importance. A common solution to such data scarcity is to use…

Machine Learning · Computer Science 2024-10-02 Chanhui Lee , Dae-Woong Jeong , Sung Moon Ko , Sumin Lee , Hyunseung Kim , Soorin Yim , Sehui Han , Sungwoong Kim , Sungbin Lim

The development of large language models leads to the formation of a pre-train-then-align paradigm, in which the model is typically pre-trained on a large text corpus and undergoes a tuning stage to align the model with human preference or…

Computation and Language · Computer Science 2025-03-19 Kaiser Sun , Mark Dredze

Fine-tuning of self-supervised models is a powerful transfer learning method in a variety of fields, including speech processing, since it can utilize generic feature representations obtained from large amounts of unlabeled data.…

Multimedia · Computer Science 2022-12-07 Shinta Otake , Rei Kawakami , Nakamasa Inoue

In this paper, we move towards combining large parametric models with non-parametric prototypical networks. We propose prototypical fine-tuning, a novel prototypical framework for fine-tuning pretrained language models (LM), which…

Computation and Language · Computer Science 2022-11-28 Yiqiao Jin , Xiting Wang , Yaru Hao , Yizhou Sun , Xing Xie