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Artificial intelligence for scientific discovery has recently generated significant interest within the machine learning and scientific communities, particularly in the domains of chemistry, biology, and material discovery. For these…

Large Language Models (LLMs) have grown increasingly powerful, yet ensuring their decisions remain transparent and trustworthy requires self-consistency -- no contradictions in their internal reasoning. Our study reveals that even on simple…

Computation and Language · Computer Science 2025-06-24 Zhenru Lin , Jiawen Tao , Yang Yuan , Andrew Chi-Chih Yao

Multimodal large language models (MLLMs) achieve strong performance on single-view spatial reasoning tasks, yet it remains unclear whether they maintain stable spatial state representations under counterfactual viewpoint changes. We…

Computer Vision and Pattern Recognition · Computer Science 2026-03-24 Shanmukha Vellamcheti , Uday Kiran Kothapalli , Disharee Bhowmick , Sathyanarayanan N. Aakur

Large Language Models (LLMs) have emerged as a promising cornerstone for the development of natural language processing (NLP) and artificial intelligence (AI). However, ensuring the robustness of LLMs remains a critical challenge. To…

Computation and Language · Computer Science 2025-11-07 Pankaj Kumar , Subhankar Mishra

The ability to steer AI behavior is crucial to preventing its long term dangerous and catastrophic potential. Representation Engineering (RepE) has emerged as a novel, powerful method to steer internal model behaviors, such as "honesty", at…

Machine Learning · Computer Science 2024-10-10 Akshat Kannan

As large language models (LLMs) are increasingly deployed in high-stakes applications, robust uncertainty estimation is essential for ensuring the safe and trustworthy deployment of LLMs. We present the most comprehensive study to date of…

Computation and Language · Computer Science 2025-06-02 Linwei Tao , Yi-Fan Yeh , Minjing Dong , Tao Huang , Philip Torr , Chang Xu

Recent Large Language Models (LLMs) have shown strong performance on automated program repair across standard benchmarks. However, these benchmarks evaluate models on a single canonical form of buggy code and do not reflect the syntactic…

Software Engineering · Computer Science 2026-05-11 Fazle Rabbi , Jinqiu Yang

Understanding how Large Language Models (LLMs) perform complex reasoning and their failure mechanisms is a challenge in interpretability research. To provide a measurable geometric analysis perspective, we define the concept of the…

Artificial Intelligence · Computer Science 2025-09-29 Bo Li , Guanzhi Deng , Ronghao Chen , Junrong Yue , Shuo Zhang , Qinghua Zhao , Linqi Song , Lijie Wen

Large Language Models (LLMs) are increasingly used in intelligent systems that perform reasoning, summarization, and code generation. Their ability to follow natural-language instructions, while powerful, also makes them vulnerable to a new…

Cryptography and Security · Computer Science 2025-11-13 Daniyal Ganiuly , Assel Smaiyl

The advancement of large language models (LLMs) for real-world applications hinges critically on enhancing their reasoning capabilities. In this work, we explore the reasoning abilities of large language models (LLMs) through their…

Artificial Intelligence · Computer Science 2024-07-04 Romain Cosentino , Sarath Shekkizhar

Large language models (LLMs) are increasingly used to convert natural language descriptions into mathematical optimization formulations. Current evaluations often treat formulations as a whole, relying on coarse metrics like solution…

Machine Learning · Computer Science 2025-10-21 Dania Refai , Moataz Ahmed

Current multimodal large language models (MLLMs) often underperform on mathematical problem-solving tasks that require fine-grained visual understanding. The limitation is largely attributable to inadequate perception of geometric…

Computer Vision and Pattern Recognition · Computer Science 2025-01-14 Shan Zhang , Aotian Chen , Yanpeng Sun , Jindong Gu , Yi-Yu Zheng , Piotr Koniusz , Kai Zou , Anton van den Hengel , Yuan Xue

Spatial consistency is a fundamental property of the visual world and a key requirement for models that aim to understand physical reality. Despite recent advances, multimodal large language models (MLLMs) often struggle to reason about 3D…

Computer Vision and Pattern Recognition · Computer Science 2026-04-06 Om Khangaonkar , Hadi J. Rad , Hamed Pirsiavash

Large Language Models (LLMs) are valued for their strong performance across various tasks, but they also produce inaccurate or misleading outputs. Uncertainty Estimation (UE) quantifies the model's confidence and helps users assess response…

Information Retrieval · Computer Science 2025-06-11 Heydar Soudani , Evangelos Kanoulas , Faegheh Hasibi

While Large Language Models (LLMs) demonstrate impressive performance in mathematics, existing math benchmarks come with significant limitations. Many focus on problems with fixed ground-truth answers, and are often saturated due to problem…

Artificial Intelligence · Computer Science 2025-10-02 Mislav Balunović , Jasper Dekoninck , Nikola Jovanović , Ivo Petrov , Martin Vechev

Vision language models (VLMs) can flexibly address various vision tasks through text interactions. Although successful in semantic understanding, state-of-the-art VLMs including GPT-5 still struggle in understanding 3D from 2D inputs. On…

Computer Vision and Pattern Recognition · Computer Science 2025-10-02 Zhipeng Cai , Ching-Feng Yeh , Hu Xu , Zhuang Liu , Gregory Meyer , Xinjie Lei , Changsheng Zhao , Shang-Wen Li , Vikas Chandra , Yangyang Shi

Large Language Models (LLMs) are increasingly deployed in applications that interact with the physical world, such as navigation, robotics, or mapping, making robust geospatial reasoning a critical capability. Despite that, LLMs' ability to…

Artificial Intelligence · Computer Science 2026-02-19 Thinh Hung Truong , Jey Han Lau , Jianzhong Qi

Evaluation is pivotal for refining Large Language Models (LLMs), pinpointing their capabilities, and guiding enhancements. The rapid development of LLMs calls for a lightweight and easy-to-use framework for swift evaluation deployment.…

Computation and Language · Computer Science 2024-07-23 Chaoqun He , Renjie Luo , Shengding Hu , Yuanqian Zhao , Jie Zhou , Hanghao Wu , Jiajie Zhang , Xu Han , Zhiyuan Liu , Maosong Sun

Large Language Models (LLMs) and Vision-Language Models (VLMs) have achieved impressive performance across a wide range of tasks, yet they remain vulnerable to carefully crafted perturbations. In this study, we seek to pinpoint the sources…

Machine Learning · Computer Science 2025-07-08 Runpeng Dai , Run Yang , Fan Zhou , Hongtu Zhu

Geometric analyses of large language model (LLM) representations reveal structured variation across depth but remain fundamentally correlational with respect to token prediction formation. Meanwhile, causal interventions expose…

Machine Learning · Computer Science 2026-05-27 Shahar Haim , Daniel C McNamee