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Chemical Language Models (CLMs) leveraging reinforcement learning (RL) have shown promise in de novo molecular design, yet often suffer from mode collapse, limiting their exploration capabilities. Inspired by Test-Time Training (TTT) in…

Machine Learning · Computer Science 2025-12-04 Morgan Thomas , Albert Bou , Gianni De Fabritiis

Test-Time Scaling (TTS) improves large language models (LLMs) by allocating additional computation during inference, typically through parallel, sequential, or hybrid scaling. However, prior studies often assume fixed collaboration…

Machine Learning · Computer Science 2025-11-04 Fali Wang , Jihai Chen , Shuhua Yang , Runxue Bao , Tianxiang Zhao , Zhiwei Zhang , Xianfeng Tang , Hui Liu , Qi He , Suhang Wang

Test-time scaling (TTS) has gained widespread attention for enhancing LLM reasoning. Existing approaches such as Best-of-N and majority voting are limited as their performance depends on the quality of candidate responses, making them…

Machine Learning · Computer Science 2026-04-28 Qibin Wang , Pu Zhao , Shaohan Huang , Fangkai Yang , Lu Wang , Furu Wei , Qingwei Lin , Saravan Rajmohan , Dongmei Zhang

Personalizing large language models (LLMs) to accommodate diverse user preferences is essential for enhancing alignment and user satisfaction. Traditional reinforcement learning from human feedback (RLHF) approaches often rely on monolithic…

Machine Learning · Computer Science 2025-04-22 Avinandan Bose , Zhihan Xiong , Yuejie Chi , Simon Shaolei Du , Lin Xiao , Maryam Fazel

Reward engineering is an important aspect of reinforcement learning. Whether or not the user's intentions can be correctly encapsulated in the reward function can significantly impact the learning outcome. Current methods rely on manually…

Artificial Intelligence · Computer Science 2017-09-28 Xiao Li , Yao Ma , Calin Belta

Large language models (LLMs) have demonstrated remarkable capabilities but often struggle to align with human preferences, leading to harmful or undesirable outputs. Preference learning, which trains models to distinguish between preferred…

Machine Learning · Computer Science 2025-10-16 Shawn Im , Sharon Li

Scaling laws aim to accurately predict model performance across different scales. Existing scaling-law studies almost exclusively rely on cross-entropy as the evaluation metric. However, cross-entropy provides only a partial view of…

Machine Learning · Computer Science 2025-10-24 Baoqing Yue , Jinyuan Zhou , Zixi Wei , Jingtao Zhan , Qingyao Ai , Yiqun Liu

Parallel test-time scaling (TTS) is a pivotal approach for enhancing large language models (LLMs), typically by sampling multiple token-based chains-of-thought in parallel and aggregating outcomes through voting or search. Recent advances…

Computation and Language · Computer Science 2026-04-21 Runyang You , Yongqi Li , Meng Liu , Wenjie Wang , Liqiang Nie , Wenjie Li

Test-Time Scaling (TTS) improves the reasoning performance of Large Language Models (LLMs) by allocating additional compute during inference. We conduct a structured survey of TTS methods and categorize them into sampling-based,…

Computation and Language · Computer Science 2025-06-06 Ho-Lam Chung , Teng-Yun Hsiao , Hsiao-Ying Huang , Chunerh Cho , Jian-Ren Lin , Zhang Ziwei , Yun-Nung Chen

Test-time scaling (TTS) has been shown to improve the performance of large language models (LLMs) by sampling and aggregating diverse reasoning paths. However, existing research has overlooked a critical issue: selection bias of reasoning…

Artificial Intelligence · Computer Science 2025-09-24 Zongqian Wu , Baoduo Xu , Tianyu Li , Zhu Sun , Xiaofeng Zhu , Lei Feng

Recently, scaling test-time compute on Large Language Models (LLM) has garnered wide attention. However, there has been limited investigation of how various reasoning prompting strategies perform as scaling. In this paper, we focus on a…

Artificial Intelligence · Computer Science 2025-08-18 Yexiang Liu , Zekun Li , Zhi Fang , Nan Xu , Ran He , Tieniu Tan

There has been substantial progress in the inference of formal behavioural specifications from sample trajectories, for example, using Linear Temporal Logic (LTL). However, these techniques cannot handle specifications that correctly…

Logic in Computer Science · Computer Science 2025-05-20 Rajarshi Roy , Yash Pote , David Parker , Marta Kwiatkowska

Personalized LLM systems have advanced rapidly, yet most operate in domains where user preferences are stable and ground truth is either absent or subjective. We argue that individual investor decision-making presents a uniquely challenging…

Computation and Language · Computer Science 2026-04-07 Yash Ganpat Sawant

Large language models (LLMs) have achieved significant performance gains via scaling up model sizes and/or data. However, recent evidence suggests diminishing returns from such approaches, motivating scaling the computation spent at…

Machine Learning · Computer Science 2025-08-15 Isha Puri , Shivchander Sudalairaj , Guangxuan Xu , Kai Xu , Akash Srivastava

Temporal reasoning and planning are essential capabilities for large language models (LLMs), yet most existing benchmarks evaluate them in isolation and under limited forms of complexity. To address this gap, we introduce the Temporal…

Artificial Intelligence · Computer Science 2025-10-14 Zifeng Ding , Sikuan Yan , Zhangdie Yuan , Xianglong Hu , Fangru Lin , Andreas Vlachos

Large Language Models (LLMs) have achieved remarkable success across diverse natural language tasks, yet the reward models employed for aligning LLMs often encounter challenges of reward hacking, where the approaches predominantly rely on…

Computation and Language · Computer Science 2026-03-06 Biao Liu , Ning Xu , Junming Yang , Hao Xu , Xin Geng

Chain-of-thought explanations are widely used to inspect the decision process of large language models (LLMs) and to evaluate the trustworthiness of model outputs, making them important for effective collaboration between LLMs and humans.…

Computation and Language · Computer Science 2025-07-16 Pedro Ferreira , Wilker Aziz , Ivan Titov

Recent approaches in personalized reward modeling have primarily focused on leveraging user interaction history to align model judgments with individual preferences. However, existing approaches largely treat user context as a static or…

Computation and Language · Computer Science 2026-04-21 Kwangwook Seo , Dongha Lee

Inference-time scaling has emerged as a powerful way to improve large language model (LLM) performance by generating multiple candidate responses and selecting among them. However, existing work on dynamic allocation for test-time compute…

Machine Learning · Computer Science 2025-09-15 Jenny Y. Huang , Mehul Damani , Yousef El-Kurdi , Ramon Astudillo , Wei Sun

Reinforcement learning from human feedback (RLHF) has emerged as an effective approach to aligning large language models (LLMs) to human preferences. RLHF contains three steps, i.e., human preference collecting, reward learning, and policy…

Computation and Language · Computer Science 2024-03-29 Hao Lang , Fei Huang , Yongbin Li