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Goal-oriented de novo molecule design, namely generating molecules with specific property or substructure constraints, is a crucial yet challenging task in drug discovery. Existing methods, such as Bayesian optimization and reinforcement…

Computational Engineering, Finance, and Science · Computer Science 2025-02-28 Chuanliu Fan , Ziqiang Cao , Zicheng Ma , Nan Yu , Yimin Peng , Jun Zhang , Yiqin Gao , Guohong Fu

With the capabilities of understanding and executing natural language instructions, Large language models (LLMs) can potentially act as a powerful tool for textual data augmentation. However, the quality of augmented data depends heavily on…

Computation and Language · Computer Science 2024-04-30 Yichuan Li , Kaize Ding , Jianling Wang , Kyumin Lee

Large Language Models (LLMs) are pretrained on extensive multilingual corpora to acquire both language-specific cultural knowledge and general knowledge. Ideally, while LLMs should provide consistent responses to culture-independent…

Computation and Language · Computer Science 2025-02-11 Yumeng Wang , Zhiyuan Fan , Qingyun Wang , May Fung , Heng Ji

This paper introduces a novel approach to enhancing closed-domain Question Answering (QA) systems, focusing on the specific needs of the Lawrence Berkeley National Laboratory (LBL) Science Information Technology (ScienceIT) domain.…

Computation and Language · Computer Science 2024-10-25 Fengchen Liu , Jordan Jung , Wei Feinstein , Jeff DAmbrogia , Gary Jung

Large language models (LLMs) combined with retrieval augmented generation have enabled the deployment of domain-specific chatbots, but these systems remain prone to generating unsupported or incorrect answers. Reliable evaluation is…

Computation and Language · Computer Science 2026-03-12 Nhi Dang , Tung Le , Huy Tien Nguyen

Large Language Models (LLMs) have assisted humans in several writing tasks, including text revision and story generation. However, their effectiveness in supporting domain-specific writing, particularly in business contexts, is relatively…

Human-Computer Interaction · Computer Science 2024-07-17 Minhwa Lee , Zae Myung Kim , Vivek Khetan , Dongyeop Kang

Previous work has showcased the intriguing capability of large language models (LLMs) in retrieving facts and processing context knowledge. However, only limited research exists on the layer-wise capability of LLMs to encode knowledge,…

Computation and Language · Computer Science 2024-03-05 Tianjie Ju , Weiwei Sun , Wei Du , Xinwei Yuan , Zhaochun Ren , Gongshen Liu

Guiding large language models with a selected set of human-authored demonstrations is a common practice for improving LLM applications. However, human effort can be costly, especially in specialized domains (e.g., clinical diagnosis), and…

Artificial Intelligence · Computer Science 2024-08-23 Kai Tzu-iunn Ong , Taeyoon Kwon , Jinyoung Yeo

This paper presents an innovative exploration of the application potential of large language models (LLM) in addressing the challenging task of automatically generating behavior trees (BTs) for complex tasks. The conventional manual BT…

Computation and Language · Computer Science 2024-01-17 Fu Li , Xueying Wang , Bin Li , Yunlong Wu , Yanzhen Wang , Xiaodong Yi

Researchers have explored different ways to improve large language models (LLMs)' capabilities via dummy token insertion in contexts. However, existing works focus solely on the dummy tokens themselves, but fail to leverage the inherent…

Computation and Language · Computer Science 2026-04-16 Zhichen Liu , Yongyuan Li , Yang Xu

Since the advent of ChatGPT, Large Language Models (LLMs) have excelled in various tasks but remain as black-box systems. Understanding the reasoning bottlenecks of LLMs has become a critical challenge, as these limitations are deeply tied…

Computation and Language · Computer Science 2024-12-24 Zifan Zheng , Yezhaohui Wang , Yuxin Huang , Shichao Song , Mingchuan Yang , Bo Tang , Feiyu Xiong , Zhiyu Li

This paper presents ChatCounselor, a large language model (LLM) solution designed to provide mental health support. Unlike generic chatbots, ChatCounselor is distinguished by its foundation in real conversations between consulting clients…

Computation and Language · Computer Science 2023-09-28 June M. Liu , Donghao Li , He Cao , Tianhe Ren , Zeyi Liao , Jiamin Wu

Large Language Models (LLMs) have demonstrated remarkable success in conversational systems by generating human-like responses. However, they can fall short, especially when required to account for personalization or specific knowledge. In…

Computation and Language · Computer Science 2025-11-12 Soyeong Jeong , Aparna Elangovan , Emine Yilmaz , Oleg Rokhlenko

Large language models (LLMs) encode extensive world knowledge through pre-training on massive datasets, which can then be fine-tuned for the question-answering (QA) task. However, effective strategies for fine-tuning LLMs for the QA task…

Computation and Language · Computer Science 2025-01-22 Junjie Ye , Yuming Yang , Qi Zhang , Tao Gui , Xuanjing Huang , Peng Wang , Zhongchao Shi , Jianping Fan

Existing large language models (LLMs) for machine translation are typically fine-tuned on sentence-level translation instructions and achieve satisfactory performance at the sentence level. However, when applied to document-level…

Computation and Language · Computer Science 2024-01-17 Yachao Li , Junhui Li , Jing Jiang , Min Zhang

Personalized support is essential to fulfill individuals' emotional needs and sustain their mental well-being. Large language models (LLMs), with great customization flexibility, hold promises to enable individuals to create their own…

Human-Computer Interaction · Computer Science 2025-05-01 Xi Zheng , Zhuoyang Li , Xinning Gui , Yuhan Luo

The emergence of Large Language Models (LLMs) has fundamentally transformed natural language processing, making them indispensable across domains ranging from conversational systems to scientific exploration. However, their pre-trained…

Retrieval-Augmented Large Language Models (LLMs), which incorporate the non-parametric knowledge from external knowledge bases into LLMs, have emerged as a promising approach to enhancing response accuracy in several tasks, such as…

Computation and Language · Computer Science 2024-03-29 Soyeong Jeong , Jinheon Baek , Sukmin Cho , Sung Ju Hwang , Jong C. Park

There have been many recent advances in the fields of generative Artificial Intelligence (AI) and Large Language Models (LLM), with the Generative Pre-trained Transformer (GPT) model being a leading "chatbot." LLM-based chatbots have become…

Computation and Language · Computer Science 2024-08-12 Gauri Anil Godghase , Rishit Agrawal , Tanush Obili , Mark Stamp

Large Language Models (LLMs) possess substantial reasoning capabilities and are increasingly applied to optimization tasks, particularly in synergy with evolutionary computation. However, while recent surveys have explored specific aspects…

Neural and Evolutionary Computing · Computer Science 2026-01-08 Yisong Zhang , Ran Cheng , Guoxing Yi , Kay Chen Tan
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