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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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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.…
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…
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,…
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…
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…
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…
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.…
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…