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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

We explore optimally training protein language models, an area of significant interest in biological research where guidance on best practices is limited. Most models are trained with extensive compute resources until performance gains…

Machine Learning · Computer Science 2024-11-05 Xingyi Cheng , Bo Chen , Pan Li , Jing Gong , Jie Tang , Le Song

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…

Protein language models (PLMs) have advanced computational protein science through large-scale pretraining and scalable architectures. In parallel, reinforcement learning (RL) has broadened exploration and enabled precise multi-objective…

Protein language models (pLMs) have recently gained significant attention for their ability to uncover relationships between sequence, structure, and function from evolutionary statistics, thereby accelerating therapeutic drug discovery.…

Machine Learning · Computer Science 2026-03-04 Darshan Patil , Pranshu Malviya , Mathieu Reymond , Quentin Fournier , Sarath Chandar

Molecular generative models, often employing GPT-style language modeling on molecular string representations, have shown promising capabilities when scaled to large datasets and model sizes. However, it remains unclear and subject to debate…

Machine Learning · Computer Science 2026-02-02 Dong Xu , Qihua Pan , Sisi Yuan , Jianqiang Li , Zexuan Zhu , Junkai Ji

Traditional scaling laws in natural language processing suggest that increasing model size and training data enhances performance. However, recent studies reveal deviations, particularly in large language models, where performance…

Machine Learning · Computer Science 2025-07-16 Zhengyu Chen , Siqi Wang , Teng Xiao , Yudong Wang , Shiqi Chen , Xunliang Cai , Junxian He , Jingang Wang

Large language models are trained on massive scrapes of the web, as required by current scaling laws. Most progress is made for English, given its abundance of high-quality pretraining data. For most other languages, however, such high…

Computation and Language · Computer Science 2025-02-07 Skyler Seto , Maartje ter Hoeve , Richard He Bai , Natalie Schluter , David Grangier

For protein sequence datasets, unlabeled data has greatly outpaced labeled data due to the high cost of wet-lab characterization. Recent deep-learning approaches to protein prediction have shown that pre-training on unlabeled data can yield…

Machine Learning · Computer Science 2020-12-02 Pascal Sturmfels , Jesse Vig , Ali Madani , Nazneen Fatema Rajani

Large language models (LLMs) show best-in-class performance across a wide range of natural language processing applications. Training these models is an extremely computationally expensive task; frontier Artificial Intelligence (AI)…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-10-10 Alexander Interrante-Grant , Carla Varela-Rosa , Suhaas Narayan , Chris Connelly , Albert Reuther

Chemical Language Models (CLMs) pre-trained on large scale molecular data are widely used for molecular property prediction. However, the common belief that increasing training resources such as model size, dataset size, and training…

Machine Learning · Computer Science 2026-05-14 Tatsuya Sagawa , Ryosuke Kojima

Mathematical reasoning is a challenging task for large language models (LLMs), while the scaling relationship of it with respect to LLM capacity is under-explored. In this paper, we investigate how the pre-training loss, supervised data…

Computation and Language · Computer Science 2023-09-14 Zheng Yuan , Hongyi Yuan , Chengpeng Li , Guanting Dong , Keming Lu , Chuanqi Tan , Chang Zhou , Jingren Zhou

Protein-specific large language models (Protein LLMs) are revolutionizing protein science by enabling more efficient protein structure prediction, function annotation, and design. While existing surveys focus on specific aspects or…

Protein language models (PLMs) have shown promise in improving the understanding of protein sequences, contributing to advances in areas such as function prediction and protein engineering. However, training these models from scratch…

Machine Learning · Computer Science 2024-12-19 Shivasankaran Vanaja Pandi , Bharath Ramsundar

In this study, we expand upon the FLIP benchmark-designed for evaluating protein fitness prediction models in small, specialized prediction tasks-by assessing the performance of state-of-the-art large protein language models, including…

Machine Learning · Computer Science 2025-01-31 Manuel F. Mollon , Joaquin Gonzalez-Rodriguez , Alicia Lozano-Diez , Daniel Ramos , Doroteo T. Toledano

Recently published work on rephrasing natural text data for pre-training LLMs has shown promising results when combining the original dataset with the synthetically rephrased data. We build upon previous work by replicating existing results…

Large language models (LLMs) achieve strong performance across diverse tasks, largely driven by high-quality web data used in pre-training. However, recent studies indicate this data source is rapidly depleting. Synthetic data emerges as a…

In contrast to their remarkable performance on general knowledge QA, the true abilities of Large Language Models (LLMs) in tasks demanding deep, specialized reasoning, such as in protein biology, have yet to be thoroughly investigated.…

Quantitative Methods · Quantitative Biology 2025-12-30 Dingyi Rong , Zijian Chen , Qi Jia , Kaiwei Zhang , Haotian Lu , Guangtao Zhai , Ning Liu

Large language models have demonstrated remarkable capabilities across various tasks, primarily attributed to the utilization of diversely sourced data. However, the impact of pretraining data composition on model performance remains poorly…

Machine Learning · Computer Science 2025-01-28 Ce Ge , Zhijian Ma , Daoyuan Chen , Yaliang Li , Bolin Ding

Generalization abilities of well-trained large language models (LLMs) are known to scale predictably as a function of model size. In contrast to the existence of practical scaling laws governing pre-training, the quality of LLMs after…

Machine Learning · Computer Science 2024-12-09 Zifei Xu , Alexander Lan , Wanzin Yazar , Tristan Webb , Sayeh Sharify , Xin Wang
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