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We study zeroth-order optimisation under context distributional uncertainty, a setting commonly tackled using Bayesian optimisation (BO). A prevailing strategy to make BO more robust to the complex and noisy nature of data is to employ an…

Machine Learning · Computer Science 2026-05-11 Tigran Ramazyan , Denis Derkach

Large language models (LLMs) can perform accurate classification with zero or few examples through in-context learning. We extend this capability to regression with uncertainty estimation using frozen LLMs (e.g., GPT-3.5, Gemini), enabling…

Chemical Physics · Physics 2025-05-16 Mayk Caldas Ramos , Shane S. Michtavy , Marc D. Porosoff , Andrew D. White

Large language models (LLMs) have recently been proposed as general-purpose agents for experimental design, with claims that they can perform in-context experimental design. We evaluate this hypothesis using both open- and closed-source…

Machine Learning · Computer Science 2025-09-29 Rushil Gupta , Jason Hartford , Bang Liu

Large Language Models (LLMs) demonstrate strong few-shot generalization through in-context learning, yet their reasoning in dynamic and stochastic environments remains opaque. Prior studies mainly focus on static tasks and overlook the…

Artificial Intelligence · Computer Science 2025-12-23 Jensen Zhang , Jing Yang , Keze Wang

Prompt engineering, as an efficient and effective way to leverage Large Language Models (LLM), has drawn a lot of attention from the research community. The existing research primarily emphasizes the importance of adapting prompts to…

Computation and Language · Computer Science 2024-07-08 Yuyan Chen , Zhihao Wen , Ge Fan , Zhengyu Chen , Wei Wu , Dayiheng Liu , Zhixu Li , Bang Liu , Yanghua Xiao

Iterative preference optimization has recently become one of the de-facto training paradigms for large language models (LLMs), but the performance is still underwhelming due to too much noisy preference data yielded in the loop. To combat…

Computation and Language · Computer Science 2024-09-18 Jianing Wang , Yang Zhou , Xiaocheng Zhang , Mengjiao Bao , Peng Yan

Large Language Models (LLMs) are increasingly applied to automated software testing, yet their ability to generalize beyond memorized patterns and reason about natural language bug reports remains unclear. We present a systematic evaluation…

Software Engineering · Computer Science 2025-10-08 Irtaza Sajid Qureshi , Zhen Ming , Jiang

Fine-tuning Large Language Models (LLMs) with Low-Rank Adaptation (LoRA) offers a resource-efficient way to personalize or specialize. However, LoRA is highly sensitive to hyperparameter choices, and exhaustive hyperparameter search is…

Computation and Language · Computer Science 2026-05-29 Baek Seong-Eun , Lee Jung-Mok , Kim Sung-Bin , Tae-Hyun Oh

Large language models (LLMs) demonstrate impressive performance but lack the flexibility to adapt to human preferences quickly without retraining. In this work, we introduce Test-time Preference Optimization (TPO), a framework that aligns…

Computation and Language · Computer Science 2025-01-23 Yafu Li , Xuyang Hu , Xiaoye Qu , Linjie Li , Yu Cheng

Large Language Models (LLMs) excel at problem solving by generating chain of thoughts in natural language, but such verbal thinking is computationally costly and prone to overthinking. A recent work instead proposes a latent thinking…

Computation and Language · Computer Science 2026-02-25 Hanwen Du , Yuxin Dong , Xia Ning

Motivated by the potential of large language models (LLMs) as optimizers for solving combinatorial optimization problems, this paper proposes a novel LLM-assisted optimizer (LLMO) to address adversarial robustness neural architecture search…

Neural and Evolutionary Computing · Computer Science 2024-06-11 Rui Zhong , Yang Cao , Jun Yu , Masaharu Munetomo

Hyperparameter optimization is a crucial problem in Evolutionary Computation. In fact, the values of the hyperparameters directly impact the trajectory taken by the optimization process, and their choice requires extensive reasoning by…

Neural and Evolutionary Computing · Computer Science 2024-08-06 Leonardo Lucio Custode , Fabio Caraffini , Anil Yaman , Giovanni Iacca

A plethora of applications entail solving black-box optimization problems with high evaluation costs, including drug discovery, material design, as well as hyperparameter tuning. Toward finding the global optimum of such black-box…

Machine Learning · Computer Science 2025-10-06 Haotian Xiang , Jinwen Xu , Qin Lu

We posit that to achieve superhuman agents, future models require superhuman feedback in order to provide an adequate training signal. Current approaches commonly train reward models from human preferences, which may then be bottlenecked by…

Computation and Language · Computer Science 2025-03-31 Weizhe Yuan , Richard Yuanzhe Pang , Kyunghyun Cho , Xian Li , Sainbayar Sukhbaatar , Jing Xu , Jason Weston

Language models (LMs) can memorize and reproduce segments from their pretraining data verbatim even in non-adversarial settings, raising concerns about copyright, plagiarism, privacy, and creativity. We introduce Paraphrase Preference…

Computation and Language · Computer Science 2025-07-21 Tong Chen , Faeze Brahman , Jiacheng Liu , Niloofar Mireshghallah , Weijia Shi , Pang Wei Koh , Luke Zettlemoyer , Hannaneh Hajishirzi

Large Language Models (LLMs) demonstrate robust capabilities across various fields, leading to a paradigm shift in LLM-enhanced Recommender System (RS). Research to date focuses on point-wise and pair-wise recommendation paradigms, which…

Information Retrieval · Computer Science 2024-09-30 Wen-Shuo Chao , Zhi Zheng , Hengshu Zhu , Hao Liu

Large Language Models (LLMs) have achieved remarkable success across a wide range of natural language tasks, and recent efforts have sought to extend their capabilities to multimodal domains and resource-constrained environments. However,…

Machine Learning · Computer Science 2025-05-26 Yun-Da Tsai

We present a controlled study of multi-hop contextual reasoning in large language models, providing a clean demonstration of the task-method dissociation: rule-based pattern matching achieves 100% success on structured information retrieval…

Artificial Intelligence · Computer Science 2026-01-09 Brady Steele , Micah Katz

Despite a widespread success in various applications, large language models (LLMs) often stumble when tackling basic physical reasoning or executing robotics tasks, due to a lack of direct experience with the physical nuances of the real…

Computation and Language · Computer Science 2024-11-13 Haolan Liu , Jishen Zhao

Bayesian optimization (BO) iteratively fits a Gaussian process (GP) surrogate to accumulated evaluations and selects new queries via an acquisition function such as expected improvement (EI). In practice, BO often concentrates evaluations…

Methodology · Statistics 2026-01-13 Jiguang Li , Hengrui Luo