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Molecule design is a multifaceted approach that leverages computational methods and experiments to optimize molecular properties, fast-tracking new drug discoveries, innovative material development, and more efficient chemical processes.…

Computation and Language · Computer Science 2024-08-23 Sakhinana Sagar Srinivas , Venkataramana Runkana

Keyphrases are the essential topical phrases that summarize a document. Keyphrase generation is a long-standing NLP task for automatically generating keyphrases for a given document. While the task has been comprehensively explored in the…

Computation and Language · Computer Science 2025-03-04 Jayanth Mohan , Jishnu Ray Chowdhury , Tomas Malik , Cornelia Caragea

There are many approaches for training decision trees. This work introduces a novel gradient-based method for constructing decision trees that optimize arbitrary differentiable loss functions, overcoming the limitations of heuristic…

Machine Learning · Computer Science 2025-03-25 Andrei V. Konstantinov , Lev V. Utkin

Recent advances in large language models (LLMs) have provided new opportunities for decision-making, particularly in the task of automated feature selection. In this paper, we first comprehensively evaluate LLM-based feature selection…

Machine Learning · Computer Science 2025-12-12 Jianhao Li , Xianchao Xiu

We propose a novel zero-shot document ranking approach based on Large Language Models (LLMs): the Setwise prompting approach. Our approach complements existing prompting approaches for LLM-based zero-shot ranking: Pointwise, Pairwise, and…

Information Retrieval · Computer Science 2024-05-31 Shengyao Zhuang , Honglei Zhuang , Bevan Koopman , Guido Zuccon

We propose a new paradigm for zero-shot learners that is format agnostic, i.e., it is compatible with any format and applicable to a list of language tasks, such as text classification, commonsense reasoning, coreference resolution, and…

Computation and Language · Computer Science 2022-10-19 Ping Yang , Junjie Wang , Ruyi Gan , Xinyu Zhu , Lin Zhang , Ziwei Wu , Xinyu Gao , Jiaxing Zhang , Tetsuya Sakai

Using tools by Large Language Models (LLMs) is a promising avenue to extend their reach beyond language or conversational settings. The number of tools can scale to thousands as they enable accessing sensory information, fetching updated…

Information Retrieval · Computer Science 2024-12-06 Mohammad Kachuee , Sarthak Ahuja , Vaibhav Kumar , Puyang Xu , Xiaohu Liu

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

Travel behavior prediction is a core problem in transportation demand management and is traditionally addressed using numerical models calibrated on observed data. With recent advances in large language models (LLMs), new opportunities have…

Machine Learning · Computer Science 2026-03-12 Baichuan Mo , Hanyong Xu , Ruoyun Ma , Jung-Hoon Cho , Dingyi Zhuang , Xiaotong Guo , Jinhua Zhao

Systematic reviews are crucial for evidence-based medicine as they comprehensively analyse published research findings on specific questions. Conducting such reviews is often resource- and time-intensive, especially in the screening phase,…

Information Retrieval · Computer Science 2024-02-02 Shuai Wang , Harrisen Scells , Shengyao Zhuang , Martin Potthast , Bevan Koopman , Guido Zuccon

We provide a systematic understanding of the impact of specific components and wordings used in prompts on the effectiveness of rankers based on zero-shot Large Language Models (LLMs). Several zero-shot ranking methods based on LLMs have…

Information Retrieval · Computer Science 2025-07-28 Shuoqi Sun , Shengyao Zhuang , Shuai Wang , Guido Zuccon

This paper introduces a novel framework, Tree-GPT, which incorporates Large Language Models (LLMs) into the forestry remote sensing data workflow, thereby enhancing the efficiency of data analysis. Currently, LLMs are unable to extract or…

Computer Vision and Pattern Recognition · Computer Science 2023-10-10 Siqi Du , Shengjun Tang , Weixi Wang , Xiaoming Li , Renzhong Guo

We observe that pre-trained large language models (LLMs) are capable of autoregressively completing complex token sequences -- from arbitrary ones procedurally generated by probabilistic context-free grammars (PCFG), to more rich spatial…

Artificial Intelligence · Computer Science 2023-10-27 Suvir Mirchandani , Fei Xia , Pete Florence , Brian Ichter , Danny Driess , Montserrat Gonzalez Arenas , Kanishka Rao , Dorsa Sadigh , Andy Zeng

Accurate task planning is critical for controlling autonomous systems, such as robots, drones, and self-driving vehicles. Behavior Trees (BTs) are considered one of the most prominent control-policy-defining frameworks in task planning, due…

Robotics · Computer Science 2025-02-12 Azizjon Kobilov , Jianglin Lan

Large language models (LLMs) have demonstrated remarkable success in NLP tasks. However, there is a paucity of studies that attempt to evaluate their performances on social media-based health-related natural language processing tasks, which…

Computation and Language · Computer Science 2024-03-29 Yuting Guo , Anthony Ovadje , Mohammed Ali Al-Garadi , Abeed Sarker

Automating code documentation through explanatory text can prove highly beneficial in code understanding. Large Language Models (LLMs) have made remarkable strides in Natural Language Processing, especially within software engineering tasks…

Large language models (LLMs) have shown impressive in-context learning (ICL) ability in code generation. LLMs take a prompt consisting of requirement-code examples and a new requirement as input, and output new programs. Existing studies…

Software Engineering · Computer Science 2023-10-17 Jia Li , Ge Li , Chongyang Tao , Jia Li , Huangzhao Zhang , Fang Liu , Zhi Jin

Existing data-driven approaches in modeling and predicting time series data include ARIMA (Autoregressive Integrated Moving Average), Transformer-based models, LSTM (Long Short-Term Memory) and TCN (Temporal Convolutional Network). These…

Machine Learning · Computer Science 2025-12-09 Saroj Gopali , Bipin Chhetri , Deepika Giri , Sima Siami-Namini , Akbar Siami Namin

Conversational recommender systems (CRS) typically require extensive domain-specific conversational datasets, yet high costs, privacy concerns, and data-collection challenges severely limit their availability. Although Large Language Models…

Information Retrieval · Computer Science 2025-04-23 Rohan Surana , Junda Wu , Zhouhang Xie , Yu Xia , Harald Steck , Dawen Liang , Nathan Kallus , Julian McAuley

Requirements classification assigns natural language requirements to predefined classes, such as functional and non functional. Accurate classification reduces risk and improves software quality. Most existing models rely on supervised…

Software Engineering · Computer Science 2025-09-18 Manal Binkhonain , Reem Alfayaz