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Related papers: LICO: Large Language Models for In-Context Molecul…

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Despite advances in pretraining with extended context lengths, large language models (LLMs) still face challenges in effectively utilizing real-world long-context information, primarily due to insufficient long-context alignment caused by…

Computation and Language · Computer Science 2025-10-14 Huashan Sun , Shengyi Liao , Yansen Han , Yu Bai , Yang Gao , Cheng Fu , Weizhou Shen , Fanqi Wan , Ming Yan , Ji Zhang , Fei Huang

This paper investigates the capabilities of large language models (LLMs) in formulating and solving decision-making problems using mathematical programming. We first conduct a systematic review and meta-analysis of recent literature to…

Artificial Intelligence · Computer Science 2025-08-26 Mohammad J. Abdel-Rahman , Yasmeen Alslman , Dania Refai , Amro Saleh , Malik A. Abu Loha , Mohammad Yahya Hamed

Processing long contexts remains a challenge for large language models (LLMs) due to the quadratic computational and memory overhead of the self-attention mechanism and the substantial KV cache sizes during generation. We propose LLoCO, a…

Computation and Language · Computer Science 2024-10-18 Sijun Tan , Xiuyu Li , Shishir Patil , Ziyang Wu , Tianjun Zhang , Kurt Keutzer , Joseph E. Gonzalez , Raluca Ada Popa

Large language models (LLMs) have achieved remarkable advancements in natural language processing, showcasing exceptional performance across various tasks. However, the expensive memory and computational requirements present significant…

Artificial Intelligence · Computer Science 2025-11-13 Ruihao Gong , Yifu Ding , Zining Wang , Chengtao Lv , Xingyu Zheng , Jinyang Du , Haotong Qin , Jinyang Guo , Michele Magno , Xianglong Liu

Molecular optimization is a fundamental goal in the chemical sciences and is of central interest to drug and material design. In recent years, significant progress has been made in solving challenging problems across various aspects of…

Computational Engineering, Finance, and Science · Computer Science 2022-10-11 Wenhao Gao , Tianfan Fu , Jimeng Sun , Connor W. Coley

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…

Artificial Intelligence · Computer Science 2026-01-21 Jinyoung Park , Minseong Bae , Jeehye Na , Hyunwoo J. Kim

Trained on a vast amount of data, Large Language models (LLMs) have achieved unprecedented success and generalization in modeling fairly complex textual inputs in the abstract space, making them powerful tools for zero-shot learning. Such…

Computer Vision and Pattern Recognition · Computer Science 2023-05-19 Shervin Ardeshir

Cross-lingual topic modeling aims to discover shared semantic structures across languages, yet existing models depend on sparse bilingual resources and often yield incoherent or weakly aligned topics. Recent LLM-based refinements improve…

Computation and Language · Computer Science 2026-05-06 Minh Chu Xuan , Tien-Phat Nguyen , Linh Ngo Van , Dinh Viet Sang , Nguyen Thi Ngoc Diep , Trung Le

Language Models (LMs) have shown their application for tasks pertinent to code and several code~LMs have been proposed recently. The majority of the studies in this direction only focus on the improvements in performance of the LMs on…

Artificial Intelligence · Computer Science 2024-07-09 Muhammad Umair Haider , Umar Farooq , A. B. Siddique , Mark Marron

Large Language Models (LLMs) have seen great advance in both academia and industry, and their popularity results in numerous open-source frameworks and techniques in accelerating LLM pre-training, fine-tuning, and inference. Training and…

Performance · Computer Science 2023-12-04 Longteng Zhang , Xiang Liu , Zeyu Li , Xinglin Pan , Peijie Dong , Ruibo Fan , Rui Guo , Xin Wang , Qiong Luo , Shaohuai Shi , Xiaowen Chu

Large language models (LLMs) are introducing a paradigm shift in molecular discovery by enabling text-guided interaction with chemical spaces through natural language, symbolic notations, with emerging extensions to incorporate multi-modal…

Machine Learning · Computer Science 2025-05-23 Ziqing Wang , Kexin Zhang , Zihan Zhao , Yibo Wen , Abhishek Pandey , Han Liu , Kaize Ding

The growing reproducibility crisis in machine learning has brought forward a need for careful examination of research findings. This paper investigates the claims made by Lei et al. (2023) regarding their proposed method, LICO, for…

Computer Vision and Pattern Recognition · Computer Science 2024-10-21 Luan Fletcher , Robert van der Klis , Martin Sedláček , Stefan Vasilev , Christos Athanasiadis

Large Language Models (LLMs) have demonstrated exceptional performance in biochemical tasks, especially the molecule caption translation task, which aims to bridge the gap between molecules and natural language texts. However, previous…

Computation and Language · Computer Science 2025-04-08 Jiatong Li , Wei Liu , Zhihao Ding , Wenqi Fan , Yuqiang Li , Qing Li

While large language models (LLMs) now excel at code generation, a key aspect of software development is the art of refactoring: consolidating code into libraries of reusable and readable programs. In this paper, we introduce LILO, a…

Computation and Language · Computer Science 2024-03-18 Gabriel Grand , Lionel Wong , Maddy Bowers , Theo X. Olausson , Muxin Liu , Joshua B. Tenenbaum , Jacob Andreas

Large Language Models (LLMs), originally developed for natural language processing (NLP), have demonstrated the potential to generalize across modalities and domains. With their in-context learning (ICL) capabilities, LLMs can perform…

Artificial Intelligence · Computer Science 2025-08-26 Nikolaos Pavlidis , Vasilis Perifanis , Symeon Symeonidis , Pavlos S. Efraimidis

Large Language Models (LLMs) have achieved remarkable success across diverse tasks, largely driven by well-designed prompts. However, crafting and selecting such prompts often requires considerable human effort, significantly limiting its…

Computation and Language · Computer Science 2025-03-20 Dengyun Peng , Yuhang Zhou , Qiguang Chen , Jinhao Liu , Jingjing Chen , Libo Qin

Optimization algorithms and large language models (LLMs) enhance decision-making in dynamic environments by integrating artificial intelligence with traditional techniques. LLMs, with extensive domain knowledge, facilitate intelligent…

Neural and Evolutionary Computing · Computer Science 2024-05-17 Sen Huang , Kaixiang Yang , Sheng Qi , Rui Wang

Recent advancements in Large Language Models (LLMs) have demonstrated exceptional capabilities in complex tasks like machine translation, commonsense reasoning, and language understanding. One of the primary reasons for the adaptability of…

Computation and Language · Computer Science 2024-07-12 Nicholas Kroeger , Dan Ley , Satyapriya Krishna , Chirag Agarwal , Himabindu Lakkaraju

Large Language Models (LLMs) have shown remarkable ability in solving complex tasks, making them a promising tool for enhancing tabular learning. However, existing LLM-based methods suffer from high resource requirements, suboptimal…

Machine Learning · Computer Science 2025-05-12 Ruxue Shi , Hengrui Gu , Xu Shen , Xin Wang

To enable broader deployment of Large Language Models (LLMs), it is essential to identify the best-performing model under strict memory constraints. We present AMQ, Automated Mixed-Precision Weight-Only Quantization, a framework that…

Machine Learning · Computer Science 2025-09-16 Sangjun Lee , Seung-taek Woo , Jungyu Jin , Changhun Lee , Eunhyeok Park
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