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As large language models (LLMs) advance their capabilities, aligning these models with human preferences has become crucial. Preference optimization, which trains models to distinguish between preferred and non-preferred responses based on…

Machine Learning · Computer Science 2026-02-02 Shawn Im , Sharon Li

There are a lot of real-world black-box optimization problems that need to optimize multiple criteria simultaneously. However, in a multi-objective optimization (MOO) problem, identifying the whole Pareto front requires the prohibitive…

Machine Learning · Computer Science 2023-11-23 Ryota Ozaki , Kazuki Ishikawa , Youhei Kanzaki , Shinya Suzuki , Shion Takeno , Ichiro Takeuchi , Masayuki Karasuyama

Reinforcement learning from human feedback (RLHF) has emerged as the primary method for aligning large language models (LLMs) with human preferences. While it enables LLMs to achieve human-level alignment, it often incurs significant…

Computation and Language · Computer Science 2025-03-21 Shivank Garg , Ayush Singh , Shweta Singh , Paras Chopra

Recently, preference optimization methods such as DPO have significantly enhanced large language models (LLMs) in wide tasks including dialogue and question-answering. However, current methods fail to account for the varying difficulty…

Computation and Language · Computer Science 2024-12-31 Jingyuan Ma , Rui Li , Zheng Li , Lei Sha , Zhifang Sui

Optimizing black-box functions is a fundamental problem in science and engineering. To solve this problem, many approaches learn a surrogate function that estimates the underlying objective from limited historical evaluations. Large…

Machine Learning · Computer Science 2025-10-23 Tung Nguyen , Aditya Grover

Automated negotiation in complex, multi-party and multi-issue settings critically depends on accurate opponent modeling. However, conventional numerical-only approaches fail to capture the qualitative information embedded in natural…

Large Language Models (LLMs) have enabled self-improving AI systems that iteratively generate, evaluate, and refine their outcomes. Recent studies show that prompt-optimization-based self-improvement can outperform state-of-the-art…

Artificial Intelligence · Computer Science 2026-01-07 Enoch Hyunwook Kang , Hema Yoganarasimhan

Bayesian optimization (BO) is an integral part of automated scientific discovery -- the so-called self-driving lab -- where human inputs are ideally minimal or at least non-blocking. However, scientists often have strong intuition, and thus…

For aligning large language models (LLMs), prior work has leveraged reinforcement learning via human feedback (RLHF) or variations of direct preference optimization (DPO). While DPO offers a simpler framework based on maximum likelihood…

Artificial Intelligence · Computer Science 2025-05-27 Anirudhan Badrinath , Prabhat Agarwal , Jiajing Xu

Recent advanced large language models (LLMs) have showcased their emergent capability of in-context learning, facilitating intelligent decision-making through natural language prompts without retraining. This new machine learning paradigm…

Computational Engineering, Finance, and Science · Computer Science 2024-12-12 Xinxin Zhang , Zhuoqun Xu , Guangpu Zhu , Chien Ming Jonathan Tay , Yongdong Cui , Boo Cheong Khoo , Lailai Zhu

In real-world services such as ChatGPT, aligning models based on user feedback is crucial for improving model performance. However, due to the simplicity and convenience of providing feedback, users typically offer only basic binary…

Machine Learning · Computer Science 2025-06-10 Seungjae Jung , Gunsoo Han , Daniel Wontae Nam , Kyoung-Woon On

Bayesian optimization (BO) is a popular method to optimize costly black-box functions. While traditional BO optimizes each new target task from scratch, meta-learning has emerged as a way to leverage knowledge from related tasks to optimize…

Machine Learning · Computer Science 2024-07-01 Jiarong Pan , Stefan Falkner , Felix Berkenkamp , Joaquin Vanschoren

Molecular design involves an enormous and irregular search space, where traditional optimizers such as Bayesian optimization, genetic algorithms, and generative models struggle to leverage expert knowledge or handle complex feedback.…

Machine Learning · Computer Science 2025-12-09 Nian Ran , Yue Wang , Xiaoyuan Zhang , Zhongzheng Li , Qingsong Ran , Wenhao Li , Richard Allmendinger

Bayesian optimization (BO) is a powerful technology for optimizing noisy expensive-to-evaluate black-box functions, with a broad range of real-world applications in science, engineering, economics, manufacturing, and beyond. In this paper,…

Machine Learning · Computer Science 2024-01-30 Joel A. Paulson , Calvin Tsay

Bootstrapping large language models (LLMs) through preference-based policy optimization offers a promising direction for aligning model behavior with human preferences without relying on extensive manual annotations. In this work, we…

Artificial Intelligence · Computer Science 2025-12-25 Chen Jia

Bayesian optimization (BO) is a sequential approach for optimizing black-box objective functions using zeroth-order noisy observations. In BO, Gaussian processes (GPs) are employed as probabilistic surrogate models to estimate the objective…

Machine Learning · Computer Science 2025-04-02 Dongwon Kim , Matteo Zecchin , Sangwoo Park , Joonhyuk Kang , Osvaldo Simeone

How can Large Language Models (LLMs) be aligned with human intentions and values? A typical solution is to gather human preference on model outputs and finetune the LLMs accordingly while ensuring that updates do not deviate too far from a…

Computation and Language · Computer Science 2024-05-28 Hung Le , Quan Tran , Dung Nguyen , Kien Do , Saloni Mittal , Kelechi Ogueji , Svetha Venkatesh

Large Language Models (LLMs) show promise for equation discovery, yet their outputs are highly sensitive to prompt phrasing, a phenomenon we term instruction brittleness. Static prompts cannot adapt to the evolving state of a multi-step…

Machine Learning · Computer Science 2026-01-05 Junqi Qu , Yan Zhang , Shangqian Gao , Shibo Li

Large Language Models (LLMs) have shown impressive performance as general purpose agents, but their abilities remain highly dependent on prompts which are hand written with onerous trial-and-error effort. We propose a simple and…

Computation and Language · Computer Science 2023-10-20 Reid Pryzant , Dan Iter , Jerry Li , Yin Tat Lee , Chenguang Zhu , Michael Zeng

Optimization is ubiquitous. While derivative-based algorithms have been powerful tools for various problems, the absence of gradient imposes challenges on many real-world applications. In this work, we propose Optimization by PROmpting…

Machine Learning · Computer Science 2024-04-16 Chengrun Yang , Xuezhi Wang , Yifeng Lu , Hanxiao Liu , Quoc V. Le , Denny Zhou , Xinyun Chen