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Large language models (LLMs) have demonstrated broad utility across molecular domains, spanning drug discovery and materials design. Analyzing LLMs' latent representations is crucial for elucidating their underlying mechanisms, improving…

Machine Learning · Computer Science 2026-02-03 Zhuoran Li , Xu Sun , Wanyu Lin , Jiannong Cao

Large language models (LLMs) have demonstrated remarkable proficiency in in-context learning (ICL), where models adapt to new tasks through example-based prompts without requiring parameter updates. However, understanding how tasks are…

Computation and Language · Computer Science 2025-11-11 Baturay Saglam , Xinyang Hu , Zhuoran Yang , Dionysis Kalogerias , Amin Karbasi

Optimizing training performance in large language models (LLMs) remains an essential challenge, particularly in improving model performance while maintaining computational costs. This work challenges the conventional approach of training…

Computation and Language · Computer Science 2025-11-04 Chun-Hao Yang , Bo-Han Feng , Tzu-Yuan Lai , Yan Yu Chen , Yin-Kai Dean Huang , Shou-De Lin

While Large Language Models (LLMs) have exhibited remarkable emergent capabilities through extensive pre-training, they still face critical limitations in generalizing to specialized domains and handling diverse linguistic variations, known…

Computation and Language · Computer Science 2025-05-28 Jinwu Hu , Zhitian Zhang , Guohao Chen , Xutao Wen , Chao Shuai , Wei Luo , Bin Xiao , Yuanqing Li , Mingkui Tan

Evaluating the abilities of large language models (LLMs) for tasks that require long-term memory and thus long-context reasoning, for example in conversational settings, is hampered by the existing benchmarks, which often lack narrative…

Computation and Language · Computer Science 2026-02-24 Mohammad Tavakoli , Alireza Salemi , Carrie Ye , Mohamed Abdalla , Hamed Zamani , J Ross Mitchell

While LLMs have revolutionized the field of machine learning due to their high performance on a strikingly wide range of problems, they are also known to hallucinate false answers and underperform on less canonical versions of the same…

Machine Learning · Computer Science 2025-09-11 Kavi Gupta , Kate Sanders , Armando Solar-Lezama

We introduce a novel approach to large language model (LLM) distillation by formulating it as a constrained reinforcement learning problem. While recent work has begun exploring the integration of task-specific rewards into distillation…

Machine Learning · Computer Science 2025-09-30 Matthieu Zimmer , Xiaotong Ji , Tu Nguyen , Haitham Bou Ammar

Large language models (LLMs) have achieved impressive results in natural language processing but are prone to memorizing portions of their training data, which can compromise evaluation metrics, raise privacy concerns, and limit…

Machine Learning · Computer Science 2024-12-03 Eduardo Slonski

We present a new approach for benchmarking Large Language Model (LLM) capabilities on research-level mathematics. Existing benchmarks largely rely on static, hand-curated sets of contest or textbook-style problems as proxies for…

Artificial Intelligence · Computer Science 2026-03-02 Antoine Peyronnet , Fabian Gloeckle , Amaury Hayat

Large Language Models (LLMs), characterized by being trained on broad amounts of data in a self-supervised manner, have shown impressive performance across a wide range of tasks. Indeed, their generative abilities have aroused interest on…

Machine Learning · Computer Science 2024-07-30 Jorge García-Carrasco , Alejandro Maté , Juan Trujillo

Large Language Models (LLMs) present a critical trade-off between inference quality and computational cost: larger models offer superior capabilities but incur significant latency, while smaller models are faster but less powerful. Existing…

Machine Learning · Computer Science 2025-05-13 Hang Wu , Jianian Zhu , Yinghui Li , Haojie Wang , Biao Hou , Jidong Zhai

Large language models (LLMs) have recently shown great advances in a variety of tasks, including natural language understanding and generation. However, their use in high-stakes decision-making scenarios is still limited due to the…

Computation and Language · Computer Science 2023-11-14 Jiefeng Chen , Jinsung Yoon , Sayna Ebrahimi , Sercan O Arik , Tomas Pfister , Somesh Jha

Machine learning practitioners often face significant challenges in formally integrating their prior knowledge and beliefs into predictive models, limiting the potential for nuanced and context-aware analyses. Moreover, the expertise needed…

Machine Learning · Statistics 2024-12-23 James Requeima , John Bronskill , Dami Choi , Richard E. Turner , David Duvenaud

Pre-trained large language models (LLM) have emerged as a powerful tool for simulating various scenarios and generating output given specific instructions and multimodal input. In this work, we analyze the specific use of LLM to enhance a…

Machine Learning · Computer Science 2024-05-10 Yuhang Wu , Yingfei Wang , Chu Wang , Zeyu Zheng

Large language models (LLMs) have shown strong results on a range of applications, including regression and scoring tasks. Typically, one obtains outputs from an LLM via autoregressive sampling from the model's output distribution. We show…

Computation and Language · Computer Science 2024-11-04 Michal Lukasik , Harikrishna Narasimhan , Aditya Krishna Menon , Felix Yu , Sanjiv Kumar

Large Language Models (LLMs) have demonstrated exceptional code generation capabilities, yet their token-level mechanisms remain underexplored, particularly in compressed models. Through systematic analysis of programming language token…

Software Engineering · Computer Science 2026-02-10 Viacheslav Siniaev , Iaroslav Chelombitko , Aleksey Komissarov

The increasing size and complexity of machine learning (ML) models have driven the growing need for custom hardware accelerators capable of efficiently supporting ML workloads. However, the design of such accelerators remains a…

Machine Learning · Computer Science 2025-04-15 Raymond Baartmans , Andrew Ensinger , Victor Agostinelli , Lizhong Chen

Due to the huge amount of parameters, fine-tuning of pretrained language models (PLMs) is prone to overfitting in the low resource scenarios. In this work, we present a novel method that operates on the hidden representations of a PLM to…

Computation and Language · Computer Science 2023-05-29 Linlin Liu , Xingxuan Li , Megh Thakkar , Xin Li , Shafiq Joty , Luo Si , Lidong Bing

Large Language Model (LLM) evaluation is currently one of the most important areas of research, with existing benchmarks proving to be insufficient and not completely representative of LLMs' various capabilities. We present a curated…

Computation and Language · Computer Science 2024-06-05 Aisha Khatun , Daniel G. Brown

Large Language Models (LLMs) demonstrate an impressive capacity to recall a vast range of factual knowledge. However, understanding their underlying reasoning and internal mechanisms in exploiting this knowledge remains a key research area.…

Computation and Language · Computer Science 2024-08-07 Marco Bronzini , Carlo Nicolini , Bruno Lepri , Jacopo Staiano , Andrea Passerini
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