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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

Large language models (LLMs) can be used as accessible and intelligent chatbots by constructing natural language queries and directly inputting the prompt into the large language model. However, different prompt' constructions often lead to…

Computation and Language · Computer Science 2023-12-14 Jinta Weng , Jiarui Zhang , Yue Hu , Daidong Fa , Xiaofeng Xuand , Heyan Huang

As powerful pre-trained vision-language models (VLMs) like CLIP gain prominence, numerous studies have attempted to combine VLMs for downstream tasks. Among these, prompt learning has been validated as an effective method for adapting to…

Computer Vision and Pattern Recognition · Computer Science 2024-09-19 Yu Du , Tong Niu , Rong Zhao

As LLMs continue to shape real-world applications, automated jailbreak generation becomes essential to reveal safety weaknesses and guide model improvement. Existing automatic jailbreak generation methods have not yet fully considered two…

Neural and Evolutionary Computing · Computer Science 2026-05-06 Rui Tang , Kaiyu Xu , Pengsen Cheng , Hao Ren , Haizhou Wang , Shuyu Jiang

Large Language Models (LLMs) have demonstrated remarkable capabilities in complex tasks. Recent advancements in Large Reasoning Models (LRMs), such as OpenAI o1 and DeepSeek-R1, have further improved performance in System-2 reasoning…

Computation and Language · Computer Science 2025-08-25 Yang Sui , Yu-Neng Chuang , Guanchu Wang , Jiamu Zhang , Tianyi Zhang , Jiayi Yuan , Hongyi Liu , Andrew Wen , Shaochen Zhong , Na Zou , Hanjie Chen , Xia Hu

Language Models are extremely susceptible to performance collapse with even small changes to input prompt strings. Libraries such as DSpy (from Stanford NLP) avoid this problem through demonstration-based prompt optimisation. Inspired by…

Computation and Language · Computer Science 2025-11-25 Maanas Taneja

In this work, we propose a novel evolutionary algorithm for neural architecture search, applicable to global search spaces. The algorithm's architectural representation organizes the topology in multiple hierarchical modules, while the…

Neural and Evolutionary Computing · Computer Science 2023-05-05 Aristeidis Christoforidis , George Kyriakides , Konstantinos Margaritis

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

The growing number of generative AI-based dialogue systems has made their evaluation a crucial challenge. This paper presents our contribution to this important problem through the Dialogue System Technology Challenge (DSTC-12, Track 1),…

In large language models (LLM)-based recommendation systems (LLM-RSs), accurately predicting user preferences by leveraging the general knowledge of LLMs is possible without requiring extensive training data. By converting recommendation…

Information Retrieval · Computer Science 2024-12-20 Genki Kusano , Kosuke Akimoto , Kunihiro Takeoka

Large Language Models (LLMs) have demonstrated impressive performance in software engineering tasks. However, improving their accuracy in generating correct and reliable code remains challenging. Numerous prompt engineering techniques…

Software Engineering · Computer Science 2024-09-26 Chung-Yu Wang , Alireza DaghighFarsoodeh , Hung Viet Pham

Convolutional neural networks (CNNs), such as the time-delay neural network (TDNN), have shown their remarkable capability in learning speaker embedding. However, they meanwhile bring a huge computational cost in storage size, processing,…

Audio and Speech Processing · Electrical Eng. & Systems 2022-06-22 Rui Wang , Zhihua Wei , Haoran Duan , Shouling Ji , Yang Long , Zhen Hong

Large Language Models (LLMs) have demonstrated remarkable capabilities across various tasks, with their performance heavily dependent on the quality of input prompts. While prompt engineering has proven effective, it typically relies on…

Neural and Evolutionary Computing · Computer Science 2025-04-17 Xavier Sécheresse , Jacques-Yves Guilbert--Ly , Antoine Villedieu de Torcy

Deep learning models require extensive architecture design exploration and hyperparameter optimization to perform well on a given task. The exploration of the model design space is often made by a human expert, and optimized using a…

Artificial Intelligence · Computer Science 2017-10-31 Catherine Wong , Andrea Gesmundo

Recent advancements in Large Language Models (LLMs) have significantly improved their problem-solving capabilities. However, these models still struggle when faced with complex multi-step reasoning tasks. In this paper, we propose the…

Computation and Language · Computer Science 2025-12-04 André de Souza Loureiro , Jorge Valverde-Rebaza , Julieta Noguez , David Escarcega , Ricardo Marcacini

Prompt learning represents a promising method for adapting pre-trained vision-language models (VLMs) to various downstream tasks by learning a set of text embeddings. One challenge inherent to these methods is the poor generalization…

Computer Vision and Pattern Recognition · Computer Science 2024-11-18 Fangming Cui , Xun Yang , Chao Wu , Liang Xiao , Xinmei Tian

The rapid proliferation of computing domains relying on Internet of Things (IoT) devices has created a pressing need for efficient and accurate deep-learning (DL) models that can run on low-power devices. However, traditional DL models tend…

Large language models (LLMs) can learn to perform a wide range of natural language tasks from just a handful of in-context examples. However, for generating strings from highly structured languages (e.g., semantic parsing to complex…

Computation and Language · Computer Science 2023-11-06 Bailin Wang , Zi Wang , Xuezhi Wang , Yuan Cao , Rif A. Saurous , Yoon Kim

The increasing scale of large language models (LLMs) brings emergent abilities to various complex tasks requiring reasoning, such as arithmetic and commonsense reasoning. It is known that the effective design of task-specific prompts is…

Computation and Language · Computer Science 2024-07-23 Shizhe Diao , Pengcheng Wang , Yong Lin , Rui Pan , Xiang Liu , Tong Zhang

Prompt optimization aims to search for effective prompts that enhance the performance of large language models (LLMs). Although existing prompt optimization methods have discovered effective prompts, they often differ from sophisticated…

Artificial Intelligence · Computer Science 2025-07-14 Rin Ashizawa , Yoichi Hirose , Nozomu Yoshinari , Kento Uchida , Shinichi Shirakawa
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