English
Related papers

Related papers: How Well Do Large-Scale Chemical Language Models T…

200 papers

While scaling laws for large language models (LLMs) during pre-training have been extensively studied, their behavior under reinforcement learning (RL) post-training remains largely unexplored. This paper presents a systematic empirical…

Pre-training has achieved remarkable success when transferred to downstream tasks. In machine learning, we care about not only the good performance of a model but also its behavior under reasonable shifts of condition. The same philosophy…

Computer Vision and Pattern Recognition · Computer Science 2023-11-27 Jianghui Wang , Yang Chen , Xingyu Xie , Cong Fang , Zhouchen Lin

Pre-trained large language models (LLM) have emerged as a powerful tool for simulating various scenarios and generating output given specific instructions and multimodal input. In this work, we analyze the specific use of LLM to enhance a…

Machine Learning · Computer Science 2024-05-10 Yuhang Wu , Yingfei Wang , Chu Wang , Zeyu Zheng

Large Language Models (LLMs) have transformed NLP with their remarkable In-context Learning (ICL) capabilities. Automated assistants based on LLMs are gaining popularity; however, adapting them to novel tasks is still challenging. While…

Computation and Language · Computer Science 2024-06-13 Anwoy Chatterjee , Eshaan Tanwar , Subhabrata Dutta , Tanmoy Chakraborty

Large Language Models (LLMs) demonstrate exceptional reasoning abilities, enabling strong generalization across diverse tasks such as commonsense reasoning and instruction following. However, as LLMs scale, inference costs become…

Computation and Language · Computer Science 2025-02-06 Rhea Sanjay Sukthanker , Benedikt Staffler , Frank Hutter , Aaron Klein

Large pretrained models are showing increasingly better performance in reasoning and planning tasks across different modalities, opening the possibility to leverage them for complex sequential decision making problems. In this paper, we…

Artificial Intelligence · Computer Science 2024-10-10 Martin Klissarov , Devon Hjelm , Alexander Toshev , Bogdan Mazoure

Machine learning approaches have become popular for molecular modeling tasks, including molecular force fields and properties prediction. Traditional supervised learning methods suffer from scarcity of labeled data for particular tasks,…

Chemical Physics · Physics 2022-11-29 Xiang Gao , Weihao Gao , Wenzhi Xiao , Zhirui Wang , Chong Wang , Liang Xiang

Decoder-only LLMs have shown impressive performance in MT due to their ability to learn from extensive datasets and generate high-quality translations. However, LLMs often struggle with the nuances and style required for…

Computation and Language · Computer Science 2024-09-11 Inacio Vieira , Will Allred , Séamus Lankford , Sheila Castilho , Andy Way

Objective: Large language models (LLMs) are attracting increasing interest in healthcare. This commentary evaluates the potential of LLMs to improve clinical prediction models (CPMs) for diagnostic and prognostic tasks, with a focus on…

Computers and Society · Computer Science 2025-11-07 Yusuf Yildiz , Goran Nenadic , Meghna Jani , David A. Jenkins

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

Downstream scaling laws aim to predict task performance at larger scales from the model's performance at smaller scales. Whether such prediction should be possible is unclear: some works discover clear linear scaling trends after simple…

Computation and Language · Computer Science 2025-10-10 Nicholas Lourie , Michael Y. Hu , Kyunghyun Cho

In recent years, Large Language Models (LLMs) have become widely used in medical applications, such as clinical decision support, medical education, and medical question answering. Yet, these models are often English-centric, limiting their…

Computation and Language · Computer Science 2026-02-06 Chaimae Abouzahir , Congbo Ma , Nizar Habash , Farah E. Shamout

Recent advances in Large Language Models (LLMs) have exhibited remarkable proficiency across various tasks. Given the potent applications of LLMs in numerous fields, there has been a surge in LLM development. In developing LLMs, a common…

Computation and Language · Computer Science 2024-01-09 Chen-An Li , Hung-Yi Lee

Transformer-based masked language models such as BERT, trained on general corpora, have shown impressive performance on downstream tasks. It has also been demonstrated that the downstream task performance of such models can be improved by…

Computation and Language · Computer Science 2023-05-04 Zhi Hong , Aswathy Ajith , Gregory Pauloski , Eamon Duede , Kyle Chard , Ian Foster

Advancements in machine learning for molecular property prediction have improved accuracy but at the expense of higher computational cost and longer training times. Recently, the Joint Multi-domain Pre-training (JMP) foundation model has…

Machine Learning · Computer Science 2025-04-29 Yasir Ghunaim , Andrés Villa , Gergo Ignacz , Gyorgy Szekely , Motasem Alfarra , Bernard Ghanem

Scaling up language models has led to unprecedented performance gains, but little is understood about how the training dynamics change as models get larger. How do language models of different sizes learn during pre-training? Why do larger…

Computation and Language · Computer Science 2023-05-31 Mengzhou Xia , Mikel Artetxe , Chunting Zhou , Xi Victoria Lin , Ramakanth Pasunuru , Danqi Chen , Luke Zettlemoyer , Ves Stoyanov

Competency modeling is widely used in human resource management to select, develop, and evaluate talent. However, traditional expert-driven approaches rely heavily on manual analysis of large volumes of interview transcripts, making them…

Computation and Language · Computer Science 2026-02-16 Silin Du , Manqing Xin , Raymond Jia Wang

How does scaling the number of parameters in large language models (LLMs) affect their core capabilities? We study two natural scaling techniques -- weight pruning and simply training a smaller or larger model, which we refer to as dense…

Computation and Language · Computer Science 2023-10-10 Tian Jin , Nolan Clement , Xin Dong , Vaishnavh Nagarajan , Michael Carbin , Jonathan Ragan-Kelley , Gintare Karolina Dziugaite

Large Language Models (LLMs) with strong abilities in natural language processing tasks have emerged and have been applied in various kinds of areas such as science, finance and software engineering. However, the capability of LLMs to…

Computation and Language · Computer Science 2023-12-29 Taicheng Guo , Kehan Guo , Bozhao Nan , Zhenwen Liang , Zhichun Guo , Nitesh V. Chawla , Olaf Wiest , Xiangliang Zhang

Although recent advances in scaling large language models (LLMs) have resulted in improvements on many NLP tasks, it remains unclear whether these models trained primarily with general web text are the right tool in highly specialized,…

‹ Prev 1 8 9 10 Next ›