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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…

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…

Reinforcement fine-tuning (RFT) often suffers from reward over-optimization, where a policy model hacks the reward signals to achieve high scores while producing low-quality outputs. Our theoretical analysis shows that the key lies in…

The growing disparity between the exponential scaling of computational resources and the finite growth of high-quality text data now constrains conventional scaling approaches for large language models (LLMs). To address this challenge, we…

Reinforcement learning with human feedback for aligning large language models (LLMs) trains a reward model typically using ranking loss with comparison pairs.However, the training procedure suffers from an inherent problem: the uncontrolled…

Computation and Language · Computer Science 2024-09-19 Hang Zhou , Chenglong Wang , Yimin Hu , Tong Xiao , Chunliang Zhang , Jingbo Zhu

Large Language Models (LLMs) have transformed the natural language processing landscape and brought to life diverse applications. Pretraining on vast web-scale data has laid the foundation for these models, yet the research community is now…

Standard reward models typically predict scalar scores that fail to capture the multifaceted nature of response quality in non-verifiable domains, such as creative writing or open-ended instruction following. To address this limitation, we…

Computation and Language · Computer Science 2026-02-13 Ran Xu , Tianci Liu , Zihan Dong , Tony Yu , Ilgee Hong , Carl Yang , Linjun Zhang , Tao Zhao , Haoyu Wang

We investigate the predictability of large language model (LLM) capabilities: given records of past experiments using different model families, numbers of parameters, tasks, and numbers of in-context examples, can we accurately predict LLM…

Computation and Language · Computer Science 2023-11-01 Qinyuan Ye , Harvey Yiyun Fu , Xiang Ren , Robin Jia

The escalating scale and cost of Large Language Models (LLMs) training necessitate accurate pre-training prediction of downstream task performance for comprehensive understanding of scaling properties. This is challenged by: 1) the…

Computation and Language · Computer Science 2026-03-10 Chengyin Xu , Kaiyuan Chen , Xiao Li , Ke Shen , Chenggang Li

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

Reinforcement Learning with Verifiable Rewards (RLVR) has emerged as a prevailing paradigm for enhancing reasoning in Multimodal Large Language Models (MLLMs). However, relying solely on outcome supervision risks reward hacking, where…

Computation and Language · Computer Science 2026-03-04 Yukun Chen , Jiaming Li , Longze Chen , Ze Gong , Jingpeng Li , Zhen Qin , Hengyu Chang , Ancheng Xu , Zhihao Yang , Hamid Alinejad-Rokny , Qiang Qu , Bo Zheng , Min Yang

Formative assessment in STEM topics aims to promote student learning by identifying students' current understanding, thus targeting how to promote further learning. Previous studies suggest that the assessment performance of current…

Machine Learning · Computer Science 2025-04-08 Yuchen Wei , Dennis Pearl , Matthew Beckman , Rebecca J. Passonneau

Recent reinforcement learning (RL) techniques have yielded impressive reasoning improvements in language models, yet it remains unclear whether post-training truly extends a model's reasoning ability beyond what it acquires during…

Computation and Language · Computer Science 2025-12-09 Charlie Zhang , Graham Neubig , Xiang Yue

Large language models (LLMs) trained via pretraining and supervised fine-tuning (SFT) can still produce harmful and misaligned outputs, or struggle in domains like math and coding. Reinforcement learning (RL)-based post-training methods,…

Computation and Language · Computer Science 2026-05-19 Zhichao Wang , Kiran Ramnath , Bin Bi , Shiva Kumar Pentyala , Sougata Chaudhuri , Shubham Mehrotra , Zixu , Zhu , Xiang-Bo Mao , Sitaram Asur , Na , Cheng

Recent advancements in Large Language Models(LLMs) have demonstrated their capabilities not only in reasoning but also in invoking external tools, particularly search engines. However, teaching models to discern when to invoke search and…

Computation and Language · Computer Science 2025-05-14 Zeyang Sha , Shiwen Cui , Weiqiang Wang

Recent advances in reinforcement learning (RL)-based post-training have led to notable improvements in large language models (LLMs), particularly in enhancing their reasoning capabilities to handle complex tasks. However, most existing…

Machine Learning · Computer Science 2025-10-14 Zhenting Wang , Guofeng Cui , Yu-Jhe Li , Kun Wan , Wentian Zhao

An impediment to using Large Language Models (LLMs) for reasoning output verification is that LLMs struggle to reliably identify errors in thinking traces, particularly in long outputs, domains requiring expert knowledge, and problems…

Computation and Language · Computer Science 2026-02-09 Kate Sanders , Nathaniel Weir , Sapana Chaudhary , Kaj Bostrom , Huzefa Rangwala

Causal inference is essential for decision-making but remains challenging for non-experts. While large language models (LLMs) show promise in this domain, their precise causal estimation capabilities are still limited, and the impact of…

Computation and Language · Computer Science 2026-02-09 Junqi Chen , Sirui Chen , Chaochao Lu

Large Language Models (LLMs) are pretrained on massive datasets and later instruction-tuned via supervised fine-tuning (SFT) or reinforcement learning (RL). Best practices emphasize large, diverse pretraining data, whereas post-training…

Machine Learning · Computer Science 2026-03-03 Adel Javanmard , Baharan Mirzasoleiman , Vahab Mirrokni

Training deep research agents, namely systems that plan, search, evaluate evidence, and synthesize long-form reports, pushes reinforcement learning beyond the regime of verifiable rewards. Their outputs lack ground-truth answers, their…

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