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Large Language Models (LLMs) have the potential to accelerate small molecule drug design due to their ability to reason about information from diverse sources and formats. However, their practical utility remains unclear due to the lack of…

This paper investigates the logical reasoning capabilities of large language models (LLMs). For a precisely defined yet tractable formulation, we choose the conceptually simple but technically complex task of constructing proofs in Boolean…

Machine Learning · Computer Science 2025-04-30 Yuan Xia , Akanksha Atrey , Fadoua Khmaissia , Kedar S. Namjoshi

The capabilities and limitations of Large Language Models have been sketched out in great detail in recent years, providing an intriguing yet conflicting picture. On the one hand, LLMs demonstrate a general ability to solve problems. On the…

While scaling laws for large language models (LLMs) during pre-training have been extensively studied, their behavior under reinforcement learning (RL) post-training remains largely unexplored. This paper presents a systematic empirical…

Causal reasoning (CR) is a crucial aspect of intelligence, essential for problem-solving, decision-making, and understanding the world. While language models (LMs) can generate rationales for their outputs, their ability to reliably perform…

Artificial Intelligence · Computer Science 2025-02-19 Longxuan Yu , Delin Chen , Siheng Xiong , Qingyang Wu , Qingzhen Liu , Dawei Li , Zhikai Chen , Xiaoze Liu , Liangming Pan

Recent papers show LLMs achieve near-random accuracy in causal relation classification, raising questions about whether such failures arise from limited pretraining exposure or deeper representational gaps. We investigate this under…

Computation and Language · Computer Science 2025-09-25 Oscar Lithgow-Serrano , Vani Kanjirangat , Alessandro Antonucci

Causal reasoning is one of the primary bottlenecks that Large Language Models (LLMs) must overcome to attain human-level intelligence. Recent studies indicate that LLMs display near-random performance on reasoning tasks. To address this, we…

Logic in Computer Science · Computer Science 2025-11-10 Abdolmahdi Bagheri , Matin Alinejad , Mahdi Dehshiri , Kevin Bello , Alireza Akhondi-Asl

While large language models (LLMs) play increasingly significant roles in society, research shows they continue to generate content that reflects social bias against sensitive groups. Existing benchmarks effectively identify these biases,…

Computation and Language · Computer Science 2026-03-12 Tian Xie , Tongxin Yin , Vaishakh Keshava , Xueru Zhang , Siddhartha Reddy Jonnalagadda

Existing efforts to improve logical reasoning ability of language models have predominantly relied on supervised fine-tuning, hindering generalization to new domains and/or tasks. The development of Large Langauge Models (LLMs) has…

Computation and Language · Computer Science 2024-06-18 Fangkai Jiao , Zhiyang Teng , Bosheng Ding , Zhengyuan Liu , Nancy F. Chen , Shafiq Joty

Reinforcement learning (RL) has emerged as a powerful post-training technique to incentivize the reasoning ability of large language models (LLMs). However, LLMs can respond very inconsistently to RL finetuning: some show substantial…

Machine Learning · Computer Science 2025-10-07 Zhepeng Cen , Yihang Yao , William Han , Zuxin Liu , Ding Zhao

Causal learning is the cognitive process of developing the capability of making causal inferences based on available information, often guided by normative principles. This process is prone to errors and biases, such as the illusion of…

Large Language Models (LLMs) often produce plausible but poorly-calibrated answers, limiting their reliability on reasoning-intensive tasks. We present Reinforcement Learning from Self-Feedback (RLSF), a post-training stage that uses the…

Computation and Language · Computer Science 2025-07-30 Carel van Niekerk , Renato Vukovic , Benjamin Matthias Ruppik , Hsien-chin Lin , Milica Gašić

This study explores the capability of Large Language Models (LLMs) to evaluate causality in causal graphs generated by conventional statistical causal discovery methods-a task traditionally reliant on manual assessment by human subject…

Computation and Language · Computer Science 2025-04-16 Yuni Susanti , Nina Holsmoelle

Reasoning is a key component of language understanding in Large Language Models. While Chain-of-Thought prompting enhances performance via explicit intermediate steps, it suffers from sufficient token overhead and a fixed reasoning…

Computation and Language · Computer Science 2025-11-18 Xinyuan Wang , Dongjie Wang , Wangyang Ying , Haoyue Bai , Nanxu Gong , Sixun Dong , Kunpeng Liu , Yanjie Fu

We assess the ability of large language models (LLMs) to answer causal questions by analyzing their strengths and weaknesses against three types of causal question. We believe that current LLMs can answer causal questions with existing…

The reasoning abilities of Large Language Models (LLMs) are attracting increasing attention. In this work, we focus on causal reasoning and address the task of establishing causal relationships based on correlation information, a highly…

Computation and Language · Computer Science 2024-12-19 Eleni Sgouritsa , Virginia Aglietti , Yee Whye Teh , Arnaud Doucet , Arthur Gretton , Silvia Chiappa

Large language models (LLMs) are increasingly used as surrogates for human participants, but it remains unclear which models best capture human behavior and why. To address this, we introduce Psych-201, a novel dataset that enables us to…

The rapid advancement of large language models (LLMs) has significantly advanced the capabilities of artificial intelligence across various domains. However, their massive scale and high computational costs render them unsuitable for direct…

Computer Vision and Pattern Recognition · Computer Science 2025-10-01 Miao Rang , Zhenni Bi , Hang Zhou , Hanting Chen , An Xiao , Tianyu Guo , Kai Han , Xinghao Chen , Yunhe Wang

Large language models (LLMs) have been shown to be capable of impressive few-shot generalisation to new tasks. However, they still tend to perform poorly on multi-step logical reasoning problems. Here we carry out a comprehensive evaluation…

Artificial Intelligence · Computer Science 2022-05-20 Antonia Creswell , Murray Shanahan , Irina Higgins

Post-training is essential for the success of large language models (LLMs), transforming pre-trained base models into more useful and aligned post-trained models. While plenty of works have studied post-training algorithms and evaluated…

Computation and Language · Computer Science 2025-11-11 Hongzhe Du , Weikai Li , Min Cai , Karim Saraipour , Zimin Zhang , Himabindu Lakkaraju , Yizhou Sun , Shichang Zhang