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The optimization of expensive-to-evaluate black-box functions is prevalent in various scientific disciplines. Bayesian optimization is an automatic, general and sample-efficient method to solve these problems with minimal knowledge of the…

Machine Learning · Computer Science 2024-02-20 Carl Hvarfner , Frank Hutter , Luigi Nardi

Given a Hyperparameter Optimization(HPO) problem, how to design an algorithm to find optimal configurations efficiently? Bayesian Optimization(BO) and the multi-fidelity BO methods employ surrogate models to sample configurations based on…

Machine Learning · Computer Science 2024-02-22 Yang Zhang , Haiyang Wu , Yuekui Yang

Large language models (LLMs) often fail to meet the pedagogical needs of K-12 English learners in non-native contexts due to a proficiency mismatch. To address this widespread challenge, we introduce a proficiency-aligned framework that…

Computation and Language · Computer Science 2026-04-27 Haidong Yuan , Haokun Zhao , Wanshi Xu , Songjun Cao , Qingyu Zhou , Long Ma , Hongjie Fan

This study explores the potential of small language model(SLM) ensembles to achieve accuracy comparable to proprietary large language models (LLMs). We propose Ensemble Bayesian Inference (EBI), a novel approach that applies Bayesian…

Computation and Language · Computer Science 2025-12-23 Haru-Tada Sato , Fuka Matsuzaki , Jun-ichiro Takahashi

Small language models (SLMs) are more efficient, cost-effective, and customizable than large language models (LLMs), though they often underperform in specific areas like reasoning. Past methods for enhancing SLMs' reasoning, such as…

Computation and Language · Computer Science 2024-12-12 Kaiyuan Chen , Jin Wang , Xuejie Zhang

Large Language Models (LLMs) such as GPT-4 have demonstrated their ability to understand natural language and generate complex code snippets. This paper introduces a novel Large Language Model Evolutionary Algorithm (LLaMEA) framework,…

Neural and Evolutionary Computing · Computer Science 2025-01-31 Niki van Stein , Thomas Bäck

We introduce contextual stochastic bilevel optimization (CSBO) -- a stochastic bilevel optimization framework with the lower-level problem minimizing an expectation conditioned on some contextual information and the upper-level decision…

Optimization and Control · Mathematics 2023-10-31 Yifan Hu , Jie Wang , Yao Xie , Andreas Krause , Daniel Kuhn

Optimization is fundamental across numerous disciplines, typically following an iterative process of refining an initial solution to enhance performance. This principle is equally critical in prompt engineering, where designing effective…

Artificial Intelligence · Computer Science 2026-01-07 Dongyu Chen , Jian Ma , Xianpeng Zhang , Lei Zhang , Haonan Lu , Chen Chen , Chuangchuang Wang , Kai Tang

Large Language Models (LLMs) often generate substantively relevant content but fail to adhere to formal constraints, leading to outputs that are conceptually correct but procedurally flawed. Traditional prompt refinement approaches focus on…

Artificial Intelligence · Computer Science 2026-01-08 Alberto Purpura , Li Wang , Sahil Badyal , Eugenio Beaufrand , Adam Faulkner

Increasing test-time computation is a straightforward approach to enhancing the quality of responses in Large Language Models (LLMs). While Best-of-N sampling and Self-Consistency with majority voting are simple and effective, they require…

Machine Learning · Computer Science 2025-03-04 Chengsong Huang , Langlin Huang , Jixuan Leng , Jiacheng Liu , Jiaxin Huang

Large language models (LLMs) have recently advanced in reasoning when optimized with reinforcement learning (RL) under verifiable rewards. Existing methods primarily rely on outcome-based supervision to strengthen internal LLM reasoning,…

Artificial Intelligence · Computer Science 2026-05-29 Siyao Song , Cong Ma , Zhihao Cheng , Shiye Lei , Minghao Li , Ying Zeng , Huaixiao Tou , Kai Jia

Prompt optimization (PO) provides a practical way to improve response quality when users lack the time or expertise to manually craft effective prompts. Existing methods typically rely on LLMs' self-generation ability to optimize prompts.…

Computation and Language · Computer Science 2026-01-13 Zixiao Zhu , Hanzhang Zhou , Zijian Feng , Tianjiao Li , Chua Jia Jim Deryl , Mak Lee Onn , Gee Wah Ng , Kezhi Mao

Despite their widespread use, large language models (LLMs) are known to hallucinate incorrect information and be poorly calibrated. This makes the uncertainty quantification of these models of critical importance, especially in high-stakes…

Machine Learning · Computer Science 2025-06-27 Colin Samplawski , Adam D. Cobb , Manoj Acharya , Ramneet Kaur , Susmit Jha

With the capabilities of understanding and executing natural language instructions, Large language models (LLMs) can potentially act as a powerful tool for textual data augmentation. However, the quality of augmented data depends heavily on…

Computation and Language · Computer Science 2024-04-30 Yichuan Li , Kaize Ding , Jianling Wang , Kyumin Lee

Large Language Model (LLM)-based agents have demonstrated remarkable success in solving complex tasks across a wide range of general-purpose applications. However, their performance often degrades in context-specific scenarios, such as…

Artificial Intelligence · Computer Science 2025-02-19 Mourad Aouini , Jinan Loubani

Human preference alignment can greatly enhance Multimodal Large Language Models (MLLMs), but collecting high-quality preference data is costly. A promising solution is the self-evolution strategy, where models are iteratively trained on…

Machine Learning · Computer Science 2024-12-23 Wentao Tan , Qiong Cao , Yibing Zhan , Chao Xue , Changxing Ding

We propose Bayesian optimal sequential prediction as a new principle for understanding in-context learning (ICL). Unlike interpretations framing Transformers as performing implicit gradient descent, we formalize ICL as meta-learning over…

Machine Learning · Computer Science 2026-02-23 Di Zhang , Jiaqi Xing

Bayesian optimization (BayesOpt) is a gold standard for query-efficient continuous optimization. However, its adoption for drug design has been hindered by the discrete, high-dimensional nature of the decision variables. We develop a new…

Recent advances have extended the scope of Bayesian optimization (BO) to expensive-to-evaluate black-box functions with dozens of dimensions, aspiring to unlock impactful applications, for example, in the life sciences, neural architecture…

Machine Learning · Computer Science 2026-05-15 Leonard Papenmeier , Luigi Nardi , Matthias Poloczek

Prompt optimization is a practical and widely applicable alternative to fine tuning for improving large language model performance. Yet many existing methods evaluate candidate prompts by sampling full outputs, often coupled with self…

Computation and Language · Computer Science 2025-09-19 Chenzhuo Zhao , Ziqian Liu , Xinda Wang , Junting Lu , Chaoyi Ruan
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