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Molecular property prediction (MPP) is a fundamental and crucial task in drug discovery. However, prior methods are limited by the requirement for a large number of labeled molecules and their restricted ability to generalize for unseen and…

定量方法 · 定量生物学 2024-10-21 Yuyan Liu , Sirui Ding , Sheng Zhou , Wenqi Fan , Qiaoyu Tan

Large Language Models (LLMs) have demonstrated exceptional code generation capabilities, yet their token-level mechanisms remain underexplored, particularly in compressed models. Through systematic analysis of programming language token…

软件工程 · 计算机科学 2026-02-10 Viacheslav Siniaev , Iaroslav Chelombitko , Aleksey Komissarov

Large Language Models (LLMs) have been widely adopted in commercial code completion engines, significantly enhancing coding efficiency and productivity. However, LLMs may generate code with quality issues that violate coding standards and…

软件工程 · 计算机科学 2025-03-20 Yuan Jiang , Yujian Zhang , Liang Lu , Christoph Treude , Xiaohong Su , Shan Huang , Tiantian Wang

Large language models (LLMs) show promise for supporting clinical decision-making in complex fields such as rheumatology. Our evaluation shows that smaller language models (SLMs), combined with retrieval-augmented generation (RAG), achieve…

Congestion control is a fundamental component of Internet infrastructure, and researchers have dedicated considerable effort to developing improved congestion control algorithms. However, despite extensive study, existing algorithms…

网络与互联网体系结构 · 计算机科学 2025-08-25 Zhiyuan He , Aashish Gottipati , Lili Qiu , Yuqing Yang , Francis Y. Yan

Large language models are powerful but often limited by high computational cost, privacy concerns, and English-centric training. Recent progress demonstrates that small, efficient models with around one billion parameters can deliver strong…

计算与语言 · 计算机科学 2025-12-16 Anna Aksenova , Boris Zverkov , Nicola Dainese , Alexander Nikitin , Pekka Marttinen

Chemical reasoning usually involves complex, multi-step processes that demand precise calculations, where even minor errors can lead to cascading failures. Furthermore, large language models (LLMs) encounter difficulties handling…

Large language models (LLMs) have demonstrated their instruction-following capabilities and achieved powerful performance on various tasks. Inspired by their success, recent works in the molecular domain have led to the development of large…

人工智能 · 计算机科学 2026-01-21 Jinyoung Park , Minseong Bae , Jeehye Na , Hyunwoo J. Kim

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…

生物大分子 · 定量生物学 2024-06-27 Yaiza Serrano , Álvaro Ciudad , Alexis Molina

This study proposes a large language model optimization method based on the improved LoRA fine-tuning algorithm, aiming to improve the accuracy and computational efficiency of the model in natural language processing tasks. We fine-tune the…

计算与语言 · 计算机科学 2024-12-30 Jiacheng Hu , Xiaoxuan Liao , Jia Gao , Zhen Qi , Hongye Zheng , Chihang Wang

Large Language Models (LLMs) have demonstrated remarkable capabilities across a variety of software engineering and coding tasks. However, their application in the domain of code and compiler optimization remains underexplored. Training…

Large language models (LLMs) have demonstrated broad utility across molecular domains, spanning drug discovery and materials design. Analyzing LLMs' latent representations is crucial for elucidating their underlying mechanisms, improving…

机器学习 · 计算机科学 2026-02-03 Zhuoran Li , Xu Sun , Wanyu Lin , Jiannong Cao

This paper introduces a system that integrates large language models (LLMs) into the clinical trial retrieval process, enhancing the effectiveness of matching patients with eligible trials while maintaining information privacy and allowing…

信息检索 · 计算机科学 2024-11-01 Georgios Peikos , Pranav Kasela , Gabriella Pasi

Fine-tuning of Large Language Models (LLMs) for downstream tasks, performed on domain-specific data has shown significant promise. However, commercial use of such LLMs is limited by the high computational cost required for their deployment…

计算与语言 · 计算机科学 2025-03-06 Boris Nazarov , Darya Frolova , Yackov Lubarsky , Alexei Gaissinski , Pavel Kisilev

The power of large language models (LLMs) has been demonstrated through numerous data and computing resources. However, the application of language models on mobile devices is facing huge challenge on the computation and memory costs, that…

计算与语言 · 计算机科学 2025-04-04 Yehui Tang , Kai Han , Fangcheng Liu , Yunsheng Ni , Yuchuan Tian , Zheyuan Bai , Yi-Qi Hu , Sichao Liu , Shangling Jui , Yunhe Wang

Small Language Models (SLMs) have gained substantial attention due to their ability to execute diverse language tasks successfully while using fewer computer resources. These models are particularly ideal for deployment in limited…

计算与语言 · 计算机科学 2025-05-30 Tanjil Hasan Sakib , Md. Tanzib Hosain , Md. Kishor Morol

Large Language Models (LLMs) have experienced great advancements in the last year resulting in an increase of these models in several fields to face natural language tasks. The integration of these models in robotics can also help to…

Large Language Models (LLMs) have demonstrated impressive capabilities across a range of scientific tasks including mathematics, physics, and chemistry. Despite their successes, the effectiveness of LLMs in handling complex statistical…

计算与语言 · 计算机科学 2024-10-11 Yizhang Zhu , Shiyin Du , Boyan Li , Yuyu Luo , Nan Tang

The training of molecular models of quantum mechanical properties based on statistical machine learning requires large datasets which exemplify the map from chemical structure to molecular property. Intelligent a priori selection of…

Autonomous tuning of particle accelerators is an active and challenging field of research with the goal of enabling novel accelerator technologies cutting-edge high-impact applications, such as physics discovery, cancer research and…

计算与语言 · 计算机科学 2024-05-16 Jan Kaiser , Annika Eichler , Anne Lauscher