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The core challenge of high-dimensional and expensive black-box optimization (BBO) is how to obtain better performance faster with little function evaluation cost. The essence of the problem is how to design an efficient optimization…

Machine Learning · Computer Science 2023-07-26 Xiaobin Li , Kai Wu , Xiaoyu Zhang , Handing Wang , Jing Liu

Bayesian optimization (BO) is a powerful class of algorithms for optimizing expensive black-box functions, but designing effective BO algorithms remains a manual, expertise-driven task. Recent advancements in Large Language Models (LLMs)…

Machine Learning · Computer Science 2025-05-28 Wenhu Li , Niki van Stein , Thomas Bäck , Elena Raponi

Diffusion-based large language models (dLLMs) have shown promising performance across various reasoning tasks, establishing themselves as an alternative to autoregressive large language models (LLMs). Unlike autoregressive LLMs that…

Computation and Language · Computer Science 2026-03-02 Xiangzhong Luo , Yilin An , Zhicheng Yu , Weichen Liu , Xu Yang

In-Context Learning and Chain-of-Thought prompting improve reasoning in large language models (LLMs). These typically come at the cost of longer, more expensive prompts that may contain redundant information. Prompt compression based on…

Computation and Language · Computer Science 2026-04-09 Caleb Zheng , Jyotika Singh , Fang Tu , Weiyi Sun , Sujeeth Bharadwaj , Yassine Benajiba , Sujith Ravi , Eli Shlizerman , Dan Roth

Reinforcement learning has been widely applied to diffusion and flow models for visual tasks such as text-to-image generation. However, these tasks remain challenging because diffusion models have intractable likelihoods, which creates a…

Machine Learning · Computer Science 2026-05-20 Jaemoo Choi , Yuchen Zhu , Wei Guo , Petr Molodyk , Bo Yuan , Jinbin Bai , Yi Xin , Molei Tao , Yongxin Chen

Prompt tuning, or the conditioning of a frozen pretrained language model (PLM) with soft prompts learned from data, has demonstrated impressive performance on a wide range of NLP tasks. However, prompt tuning requires a large training…

Computation and Language · Computer Science 2022-10-24 Xu Guo , Boyang Li , Han Yu

Previous insertion-based and paraphrase-based backdoors have achieved great success in attack efficacy, but they ignore the text quality and semantic consistency between poisoned and clean texts. Although recent studies introduce LLMs to…

Computation and Language · Computer Science 2025-04-22 Zhengxian Wu , Juan Wen , Wanli Peng , Ziwei Zhang , Yinghan Zhou , Yiming Xue

Large Language Models (LLMs) continue to set new standards in knowledge-intensive and complex reasoning tasks, yet their high computational demands limit widespread adoption. While distilling large models into smaller ones offers a…

Computation and Language · Computer Science 2025-06-05 Xiaofeng Zhou , Heyan Huang , Lizi Liao

A popular approach to protein design is to combine a generative model with a discriminative model for conditional sampling. The generative model samples plausible sequences while the discriminative model guides a search for sequences with…

Efficiently fine-tuning Large Language Models (LLMs) for specific tasks presents a considerable challenge in natural language processing. Traditional methods, like prompt or prefix tuning, typically rely on arbitrary tokens for training,…

Computation and Language · Computer Science 2024-04-16 Md. Kowsher , Md. Shohanur Islam Sobuj , Asif Mahmud , Nusrat Jahan Prottasha , Prakash Bhat

Diffusion LLMs have emerged as a promising alternative to conventional autoregressive LLMs, offering significant potential for improved runtime efficiency. However, existing diffusion models lack the ability to provably enforce…

Machine Learning · Computer Science 2025-05-30 Tarun Suresh , Debangshu Banerjee , Shubham Ugare , Sasa Misailovic , Gagandeep Singh

Large language model (LLM)-based embedding models, benefiting from large scale pre-training and post-training, have begun to surpass BERT and T5-based models on general-purpose text embedding tasks such as document retrieval. However, a…

Computation and Language · Computer Science 2025-05-22 Siyue Zhang , Yilun Zhao , Liyuan Geng , Arman Cohan , Anh Tuan Luu , Chen Zhao

Black-box optimization (BBO) has a broad range of applications, including automatic machine learning, engineering, physics, and experimental design. However, it remains a challenge for users to apply BBO methods to their problems at hand…

Machine Learning · Computer Science 2021-11-05 Yang Li , Yu Shen , Wentao Zhang , Yuanwei Chen , Huaijun Jiang , Mingchao Liu , Jiawei Jiang , Jinyang Gao , Wentao Wu , Zhi Yang , Ce Zhang , Bin Cui

To relieve intensive human-expertise required to design optimization algorithms, recent Meta-Black-Box Optimization (MetaBBO) researches leverage generalization strength of meta-learning to train neural network-based algorithm design…

Machine Learning · Computer Science 2025-11-12 Chen Wang , Yue-Jiao Gong , Zhiguang Cao , Zeyuan Ma

We consider the problem of auditing black-box large language models (LLMs) to ensure they behave reliably when deployed in production settings, particularly in high-stakes domains such as legal, medical, and regulatory compliance. Existing…

Computation and Language · Computer Science 2025-12-15 Paulius Rauba , Qiyao Wei , Mihaela van der Schaar

Molecular optimization (MO) is a crucial stage in drug discovery in which task-oriented generated molecules are optimized to meet practical industrial requirements. Existing mainstream MO approaches primarily utilize external property…

Machine Learning · Computer Science 2025-12-17 Yida Xiong , Kun Li , Jiameng Chen , Hongzhi Zhang , Di Lin , Yan Che , Wenbin Hu

Diffusion language models (DLMs) have shown strong potential for general natural language tasks with in-context examples. However, due to the bidirectional attention mechanism, DLMs incur substantial computational cost as context length…

Computation and Language · Computer Science 2026-01-07 Yang Li , Han Meng , Chenan Wang , Haipeng Chen

In model-based optimisation (MBO) we are interested in using machine learning to design candidates that maximise some measure of reward with respect to a black box function called the (ground truth) oracle, which is expensive to compute…

Machine Learning · Statistics 2024-01-17 Christopher Beckham , Alexandre Piche , David Vazquez , Christopher Pal

Reinforcement learning (RL) algorithms have been used recently to align diffusion models with downstream objectives such as aesthetic quality and text-image consistency by fine-tuning them to maximize a single reward function under a fixed…

Artificial Intelligence · Computer Science 2026-03-13 Min Cheng , Fatemeh Doudi , Dileep Kalathil , Mohammad Ghavamzadeh , Panganamala R. Kumar

Many real-world optimization problems are guided by complex, subjective preferences that are difficult to express as explicit closed-form objectives. In response, we introduce Language-in-the-Loop Optimization (LILO), a Bayesian…

Machine Learning · Computer Science 2026-05-12 Katarzyna Kobalczyk , Zhiyuan Jerry Lin , Benjamin Letham , Zhuokai Zhao , Maximilian Balandat , Eytan Bakshy