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Large language models (LLMs) with billions of parameters and pretrained on massive amounts of data are now capable of near or better than state-of-the-art performance in a variety of downstream natural language processing tasks. Neural…

Computation and Language · Computer Science 2024-07-08 Victor Agostinelli , Max Wild , Matthew Raffel , Kazi Ahmed Asif Fuad , Lizhong Chen

Multimodal Large Language Models (MLLMs) have demonstrated strong cross-modal reasoning capabilities, yet their potential for vision-only tasks remains underexplored. We investigate MLLMs as training-free similarity estimators for…

Computer Vision and Pattern Recognition · Computer Science 2026-04-16 Bahey Tharwat , Giorgos Kordopatis-Zilos , Pavel Suma , Ian Reid , Giorgos Tolias

Large Language Models (LLMs) offer promising capabilities for tackling complex reasoning tasks, including optimization problems. However, existing methods either rely on prompt engineering, which leads to poor generalization across problem…

Machine Learning · Computer Science 2025-10-23 Dong Li , Xujiang Zhao , Linlin Yu , Yanchi Liu , Wei Cheng , Zhengzhang Chen , Zhong Chen , Feng Chen , Chen Zhao , Haifeng Chen

Finetuning a Large Language Model (LLM) is crucial for generating results towards specific objectives. This research delves into the realm of drug optimization and introduce a novel reinforcement learning algorithm to finetune a drug…

Machine Learning · Computer Science 2025-02-12 Xuefeng Liu , Songhao Jiang , Siyu Chen , Zhuoran Yang , Yuxin Chen , Ian Foster , Rick Stevens

The rapid evolution of artificial intelligence in drug discovery encounters challenges with generalization and extensive training, yet Large Language Models (LLMs) offer promise in reshaping interactions with complex molecular data. Our…

Biomolecules · Quantitative Biology 2024-12-20 He Cao , Zijing Liu , Xingyu Lu , Yuan Yao , Yu Li

Although large language models (LLMs) have shown promise in biomolecule optimization problems, they incur heavy computational costs and struggle to satisfy precise constraints. On the other hand, specialized solvers like LaMBO-2 offer…

Large Language Models (LLMs) represent a class of deep learning models adept at understanding natural language and generating coherent responses to various prompts or queries. These models far exceed the complexity of conventional neural…

Machine Learning · Computer Science 2024-12-05 Minghao Shao , Abdul Basit , Ramesh Karri , Muhammad Shafique

Large Language Models (LLMs) have shown remarkable success, and their multimodal expansions (MLLMs) further unlock capabilities spanning images, videos, and other modalities beyond text. However, despite this shift, prompt optimization…

Machine Learning · Computer Science 2026-02-20 Yumin Choi , Dongki Kim , Jinheon Baek , Sung Ju Hwang

Accurate molecular property prediction is a critical challenge with wide-ranging applications in chemistry, materials science, and drug discovery. Molecular representation methods, including fingerprints and graph neural networks (GNNs),…

Machine Learning · Computer Science 2025-08-13 Jiaxin Ju , Yizhen Zheng , Huan Yee Koh , Can Wang , Shirui Pan

This study introduces a benchmark framework for evaluating the financial decision-making capabilities of large language models (LLMs) through portfolio optimization problems with mathematically explicit solutions. Unlike existing financial…

Portfolio Management · Quantitative Finance 2026-05-28 Hanyong Cho , Jang Ho Kim

Large language models (LLMs) are widely applied in various natural language processing tasks such as question answering and machine translation. However, due to the lack of labeled data and the difficulty of manual annotation for…

Artificial Intelligence · Computer Science 2026-05-27 Xuan Lin , Long Chen , Yile Wang , Yangyang Chen , Xiangxiang Zeng

Many-to-many summarization (M2MS) aims to process documents in any language and generate the corresponding summaries also in any language. Recently, large language models (LLMs) have shown strong multi-lingual abilities, giving them the…

Computation and Language · Computer Science 2025-05-20 Jiaan Wang , Fandong Meng , Zengkui Sun , Yunlong Liang , Yuxuan Cao , Jiarong Xu , Haoxiang Shi , Jie Zhou

Large Language Models (LLMs) have demonstrated remarkable performance across various natural language tasks, marking significant strides towards general artificial intelligence. While general artificial intelligence is leveraged by…

Computation and Language · Computer Science 2023-10-31 Yizhe Yang , Huashan Sun , Jiawei Li , Runheng Liu , Yinghao Li , Yuhang Liu , Heyan Huang , Yang Gao

Various Deep Learning-based approaches with pre-trained language models have been proposed for automatically repairing software vulnerabilities. However, these approaches are limited to a specific programming language (C/C++). Recent…

Software Engineering · Computer Science 2025-08-06 Dong wang , Junji Yu , Honglin Shu , Michael Fu , Chakkrit Tantithamthavorn , Yasutaka Kamei , Junjie Chen

Molecular design involves an enormous and irregular search space, where traditional optimizers such as Bayesian optimization, genetic algorithms, and generative models struggle to leverage expert knowledge or handle complex feedback.…

Machine Learning · Computer Science 2025-12-09 Nian Ran , Yue Wang , Xiaoyuan Zhang , Zhongzheng Li , Qingsong Ran , Wenhao Li , Richard Allmendinger

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

In the past year, MultiModal Large Language Models (MM-LLMs) have undergone substantial advancements, augmenting off-the-shelf LLMs to support MM inputs or outputs via cost-effective training strategies. The resulting models not only…

Computation and Language · Computer Science 2024-05-29 Duzhen Zhang , Yahan Yu , Jiahua Dong , Chenxing Li , Dan Su , Chenhui Chu , Dong Yu

In this paper, we introduce ILLUME, a unified multimodal large language model (MLLM) that seamlessly integrates multimodal understanding and generation capabilities within a single large language model through a unified next-token…

Computer Vision and Pattern Recognition · Computer Science 2024-12-10 Chunwei Wang , Guansong Lu , Junwei Yang , Runhui Huang , Jianhua Han , Lu Hou , Wei Zhang , Hang Xu

Multi-modal Large Language Model (MLLM) refers to a model expanded from a Large Language Model (LLM) that possesses the capability to handle and infer multi-modal data. Current MLLMs typically begin by using LLMs to decompose tasks into…

Computation and Language · Computer Science 2023-09-01 Yongqiang Zhao , Zhenyu Li , Feng Zhang , Xinhai Xu , Donghong Liu

Large language models (LLMs) have demonstrated exceptional performance not only in natural language processing tasks but also in a great variety of non-linguistic domains. In diverse optimization scenarios, there is also a rising trend of…

Neural and Evolutionary Computing · Computer Science 2024-07-09 Beichen Huang , Xingyu Wu , Yu Zhou , Jibin Wu , Liang Feng , Ran Cheng , Kay Chen Tan