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Large Language Models (LLMs) were shown to struggle with long-term planning, which may be caused by the limited way in which they explore the space of possible solutions. We propose an architecture where a Reinforcement Learning (RL) Agent…

Machine Learning · Computer Science 2024-10-18 Yoav Alon , Cristina David

Large Language Models (LLMs) have achieved great success in various reasoning tasks. In this work, we focus on the graph reasoning ability of LLMs. Although theoretical studies proved that LLMs are capable of handling graph reasoning tasks,…

Computation and Language · Computer Science 2025-01-09 Xinnan Dai , Qihao Wen , Yifei Shen , Hongzhi Wen , Dongsheng Li , Jiliang Tang , Caihua Shan

Multi-modal large language models (MLLMs) are trained based on large language models (LLM), with an enhanced capability to comprehend multi-modal inputs and generate textual responses. While they excel in multi-modal tasks, the pure NLP…

Computation and Language · Computer Science 2023-09-14 Haoqin Tu , Bingchen Zhao , Chen Wei , Cihang Xie

Understanding a program's runtime reasoning behavior, meaning how intermediate states and control flows lead to final execution results, is essential for reliable code generation, debugging, and automated reasoning. Although large language…

Software Engineering · Computer Science 2025-12-02 Mohammad Abdollahi , Khandaker Rifah Tasnia , Soumit Kanti Saha , Jinqiu Yang , Song Wang , Hadi Hemmati

Recent work has demonstrated the promise of orchestrating large language models (LLMs) within evolutionary and agentic optimization systems. However, the mechanisms driving these optimization gains remain poorly understood. In this work, we…

Computation and Language · Computer Science 2026-04-22 Xinhao Zhang , Xi Chen , François Portet , Maxime Peyrard

Large Language Models (LLMs) have demonstrated remarkable performance across various natural language processing tasks. Recently, several LLMs-based pipelines have been developed to enhance learning on graphs with text attributes,…

Machine Learning · Computer Science 2024-07-30 Kai Guo , Zewen Liu , Zhikai Chen , Hongzhi Wen , Wei Jin , Jiliang Tang , Yi Chang

Despite rapid advancements in large language models (LLMs), the token-level autoregressive nature constrains their complex reasoning capabilities. To enhance LLM reasoning, inference-time techniques, including…

Artificial Intelligence · Computer Science 2026-01-28 Qianyue Hao , Sibo Li , Jian Yuan , Yong Li

Forecasting future links is a central task in temporal graph (TG) reasoning, requiring models to leverage historical interactions to predict upcoming ones. Traditional neural approaches, such as temporal graph neural networks, achieve…

Large Language Models have shown tremendous performance on a large variety of natural language processing tasks, ranging from text comprehension to common sense reasoning. However, the mechanisms responsible for this success remain opaque,…

Computation and Language · Computer Science 2024-01-04 Gaël Gendron , Qiming Bao , Michael Witbrock , Gillian Dobbie

Training large language models (LLMs) with synthetic reasoning data has become a popular approach to enhancing their reasoning capabilities, while a key factor influencing the effectiveness of this paradigm is the quality of the generated…

Artificial Intelligence · Computer Science 2026-03-24 Zhuojie Yang , Wentao Wan , Keze Wang

Large Language Models (LLMs) have emerged as promising tools to assist students while solving programming assignments. However, object-oriented programming (OOP), with its inherent complexity involving the identification of entities,…

Software Engineering · Computer Science 2024-03-12 Bruno Pereira Cipriano , Pedro Alves

Large Language Models (LLMs) are vulnerable to jailbreak attacks that exploit weaknesses in traditional safety alignment, which often relies on rigid refusal heuristics or representation engineering to block harmful outputs. While they are…

Computation and Language · Computer Science 2025-10-01 Yuyou Zhang , Miao Li , William Han , Yihang Yao , Zhepeng Cen , Ding Zhao

Efficient path planning in robotics, particularly within large-scale, complex environments, remains a significant hurdle. While Large Language Models (LLMs) offer strong reasoning capabilities, their high computational cost and limited…

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

Advancements in large language models (LLMs) have demonstrated their potential in facilitating high-level reasoning, logical reasoning and robotics planning. Recently, LLMs have also been able to generate reward functions for low-level…

Robotics · Computer Science 2024-02-21 Marta Skreta , Zihan Zhou , Jia Lin Yuan , Kourosh Darvish , Alán Aspuru-Guzik , Animesh Garg

Instruction-tuned Large Language Models (LLMs) can perform a wide range of tasks given natural language instructions to do so, but they are sensitive to how such instructions are phrased. This issue is especially concerning in healthcare,…

Large language models (LLMs) exhibit advanced reasoning skills, enabling robots to comprehend natural language instructions and strategically plan high-level actions through proper grounding. However, LLM hallucination may result in robots…

Artificial Intelligence · Computer Science 2025-02-12 Kaiqu Liang , Zixu Zhang , Jaime Fernández Fisac

Active learning (AL) accelerates scientific discovery by prioritizing the most informative experiments, but traditional machine learning (ML) models used in AL suffer from cold-start limitations and domain-specific feature engineering,…

Machine Learning · Computer Science 2025-12-05 Hongchen Wang , Rafael Espinosa Castañeda , Jay R. Werber , Yao Fehlis , Edward Kim , Jason Hattrick-Simpers

As Large Language Models (LLMs) are integrated into critical real-world applications, their strategic and logical reasoning abilities are increasingly crucial. This paper evaluates LLMs' reasoning abilities in competitive environments…

Computation and Language · Computer Science 2024-06-11 Jinhao Duan , Renming Zhang , James Diffenderfer , Bhavya Kailkhura , Lichao Sun , Elias Stengel-Eskin , Mohit Bansal , Tianlong Chen , Kaidi Xu

The ability of large language models (LLMs) to follow user instructions is central to their reliability, safety, and usefulness. While prior studies assess instruction adherence in the model's main responses, we argue that it is also…

Machine Learning · Computer Science 2025-10-20 Yongchan Kwon , Shang Zhu , Federico Bianchi , Kaitlyn Zhou , James Zou