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Molecule discovery is a pivotal research field, impacting everything from medicine to materials. Recently, Large Language Models (LLMs) have been widely adopted in molecular understanding and generation, serving as a bridge between the…

Computation and Language · Computer Science 2026-04-29 Jiatong Li , Yunqing Liu , Wei Liu , Jingdi Le , Di Zhang , Wenqi Fan , Dongzhan Zhou , Yuqiang Li , Qing Li

In-context learning (ICL) has proven to be a significant capability with the advancement of Large Language models (LLMs). By instructing LLMs using few-shot demonstrative examples, ICL enables them to perform a wide range of tasks without…

Computation and Language · Computer Science 2024-08-21 Quanyu Long , Jianda Chen , Wenya Wang , Sinno Jialin Pan

While neural models show remarkable accuracy on individual predictions, their internal beliefs can be inconsistent across examples. In this paper, we formalize such inconsistency as a generalization of prediction error. We propose a…

Artificial Intelligence · Computer Science 2019-09-16 Tao Li , Vivek Gupta , Maitrey Mehta , Vivek Srikumar

Large Language Models (LLMs) have been shown to enhance the effectiveness of enriching item descriptions, thereby improving the accuracy of recommendation systems. However, most existing approaches either rely on text-only prompting or…

Information Retrieval · Computer Science 2025-10-24 Hanjia Lyu , Ryan Rossi , Xiang Chen , Md Mehrab Tanjim , Stefano Petrangeli , Somdeb Sarkhel , Jiebo Luo

Designing good reflection questions is pedagogically important but time-consuming and unevenly supported across teachers. This paper introduces a reflection-in-reflection framework for automated generation of reflection questions with large…

Machine Learning · Computer Science 2026-01-22 Ondřej Holub , Essi Ryymin , Rodrigo Alves

Driven by advances in Large Language Models (LLMs), integrating them into recommendation tasks has gained interest due to their strong semantic understanding and prompt flexibility. Prior work encoded user-item interactions or metadata into…

Information Retrieval · Computer Science 2025-06-10 Keyu Zhao , Fengli Xu , Yong Li

Spatio-temporal data mining plays a pivotal role in informed decision making across diverse domains. However, existing models are often restricted to narrow tasks, lacking the capacity for multi-task inference and complex long-form…

Computation and Language · Computer Science 2025-06-26 Kethmi Hirushini Hettige , Jiahao Ji , Cheng Long , Shili Xiang , Gao Cong , Jingyuan Wang

Large Language Models (LLMs) currently respond to every prompt. However, they can produce incorrect answers when they lack knowledge or capability -- a problem known as hallucination. We instead propose post-training an LLM to generate…

Computation and Language · Computer Science 2026-02-17 Tim Franzmeyer , Archie Sravankumar , Lijuan Liu , Yuning Mao , Rui Hou , Sinong Wang , Jakob N. Foerster , Luke Zettlemoyer , Madian Khabsa

Generally capable agents must learn from experience in ways that generalize across tasks and environments. The fundamental problems of learning, including credit assignment, overfitting, forgetting, local optima, and high-variance learning…

Machine Learning · Computer Science 2026-04-06 Nikita Vassilyev , William Berrios , Ruowang Zhang , Bo Han , Douwe Kiela , Shikib Mehri

Large Language Models (LLMs) are unable to reliably reason about specific physical systems. Attempts to imbue LLMs with knowledge of the necessary physics concepts have shown great promise, but explainability and validation remain open…

Artificial Intelligence · Computer Science 2026-05-22 Sean Memery , Kartic Subr

Establishing stable mappings between natural language expressions and visual percepts is a foundational problem for both cognitive science and artificial intelligence. Humans routinely ground linguistic reference in noisy, ambiguous…

Artificial Intelligence · Computer Science 2026-02-24 Joseph Bingham

There is intense interest in investigating how inference time compute (ITC) (e.g. repeated sampling, refinements, etc) can improve large language model (LLM) capabilities. At the same time, recent breakthroughs in reasoning models, such as…

Artificial Intelligence · Computer Science 2025-04-22 Junlin Wang , Shang Zhu , Jon Saad-Falcon , Ben Athiwaratkun , Qingyang Wu , Jue Wang , Shuaiwen Leon Song , Ce Zhang , Bhuwan Dhingra , James Zou

Robust text-to-SQL over complex, real-world databases remains brittle even with modern LLMs: iterative refinement often introduces syntactic and semantic drift, corrections tend to be non-transferable across queries, and naive use of large…

Databases · Computer Science 2026-01-13 Isabelle Mohr , Joao Gandarela , John Dujany , Andre Freitas

Chain of thought finetuning (cot-finetuning) aims to endow small language models (SLM) with reasoning ability to improve their performance towards specific tasks by allowing them to imitate the reasoning procedure of large language models…

Computation and Language · Computer Science 2025-08-08 Xiaoshu Chen , Sihang Zhou , Ke Liang , Xinwang Liu

Large reasoning models often reach correct answers through flawed intermediate steps, creating a gap between final accuracy and reasoning reliability. Existing alignment strategies address this with external verifiers or massive sampling,…

Artificial Intelligence · Computer Science 2026-05-11 Kejia Chen , Jiawen Zhang , Yihong Wu , Kewei Gao , Jian Lou , Zunlei Feng , Mingli Song , Ruoxi Jia

We study how well large language models (LLMs) explain their generations through rationales -- a set of tokens extracted from the input text that reflect the decision-making process of LLMs. Specifically, we systematically study rationales…

Computation and Language · Computer Science 2024-10-23 Mohsen Fayyaz , Fan Yin , Jiao Sun , Nanyun Peng

In this paper, we investigate the degree to which fine-tuning in Large Language Models (LLMs) effectively mitigates versus merely conceals undesirable behavior. Through the lens of semi-realistic role-playing exercises designed to elicit…

Computation and Language · Computer Science 2024-07-01 Florin Pop , Judd Rosenblatt , Diogo Schwerz de Lucena , Michael Vaiana

Large language models have recently demonstrated significant gains in reasoning ability, often attributed to their capacity to generate longer chains of thought and engage in reflective reasoning. However, the contribution of reflections to…

Artificial Intelligence · Computer Science 2025-10-10 Liwei Kang , Yue Deng , Yao Xiao , Zhanfeng Mo , Wee Sun Lee , Lidong Bing

Large language models (LLMs) have made remarkable progress in generating fluent text, but they still face a critical challenge of contextual misalignment in long-term and dynamic dialogue. When human users omit premises, simplify…

Artificial Intelligence · Computer Science 2026-03-18 Ding Wei

Although Large Language Models (LLMs) excel at addressing straightforward reasoning tasks, they frequently struggle with difficulties when confronted by more complex multi-step reasoning due to a range of factors. Firstly, natural language…

Computation and Language · Computer Science 2024-02-22 Kewei Cheng , Nesreen K. Ahmed , Theodore Willke , Yizhou Sun