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Molecule optimization is an important problem in chemical discovery and has been approached using many techniques, including generative modeling, reinforcement learning, genetic algorithms, and much more. Recent work has also applied…

Biomolecules · Quantitative Biology 2022-10-31 Elvin Lo , Pin-Yu Chen

Machine unlearning in the domain of large language models (LLMs) has attracted great attention recently, which aims to effectively eliminate undesirable behaviors from LLMs without full retraining from scratch. In this paper, we explore the…

Computation and Language · Computer Science 2025-01-07 Zibin Pan , Shuwen Zhang , Yuesheng Zheng , Chi Li , Yuheng Cheng , Junhua Zhao

Conventional operating system scheduling algorithms are largely content-ignorant, making decisions based on factors such as latency or fairness without considering the actual intents or semantics of processes. Consequently, these algorithms…

Machine Learning · Computer Science 2025-06-17 Wenyue Hua , Dujian Ding , Yile Gu , Yujie Ren , Kai Mei , Minghua Ma , William Yang Wang

Gradient-free/zeroth-order methods for black-box convex optimization have been extensively studied in the last decade with the main focus on oracle calls complexity. In this paper, besides the oracle complexity, we focus also on iteration…

Recently, large language models (LLMs) (e.g., GPT-4) have demonstrated impressive general-purpose task-solving abilities, including the potential to approach recommendation tasks. Along this line of research, this work aims to investigate…

Information Retrieval · Computer Science 2024-01-25 Yupeng Hou , Junjie Zhang , Zihan Lin , Hongyu Lu , Ruobing Xie , Julian McAuley , Wayne Xin Zhao

The last layer of neural language models (LMs) projects output features of dimension $D$ to logits in dimension $V$, the size of the vocabulary, where usually $D \ll V$. This mismatch is known to raise risks of limited expressivity in…

Computation and Language · Computer Science 2026-03-12 Nathan Godey , Yoav Artzi

Large Language Models (LLMs) have revolutionized the field of Natural Language Processing (NLP) by automating traditional labor-intensive tasks and consequently accelerated the development of computer-aided applications. As researchers…

Computation and Language · Computer Science 2025-06-24 Summra Saleem , Muhammad Nabeel Asim , Shaista Zulfiqar , Andreas Dengel

Large language model (LLM) training is often bottlenecked by memory constraints and stochastic gradient noise in extremely high-dimensional parameter spaces. Motivated by empirical evidence that many LLM gradient matrices are effectively…

Machine Learning · Computer Science 2026-03-24 Zehao Li , Tao Ren , Zishi Zhang , Xi Chen , Yijie Peng

This paper investigates how to accelerate the convergence of distributed optimization algorithms on nonconvex problems with zeroth-order information available only. We propose a zeroth-order (ZO) distributed primal-dual stochastic…

Optimization and Control · Mathematics 2021-10-15 Shengjun Zhang , Colleen P. Bailey

Large language models (LLMs) are very proficient text generators. We leverage this capability of LLMs to generate task-specific data via zero-shot prompting and promote cross-lingual transfer for low-resource target languages. Given…

Computation and Language · Computer Science 2024-07-16 Barah Fazili , Ashish Sunil Agrawal , Preethi Jyothi

Large language models~(LLMs) are instruction followers, but it can be challenging to find the best instruction for different situations, especially for black-box LLMs on which backpropagation is forbidden. Instead of directly optimizing the…

Artificial Intelligence · Computer Science 2023-08-09 Lichang Chen , Jiuhai Chen , Tom Goldstein , Heng Huang , Tianyi Zhou

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

Large language models (LLMs) are still struggling in aligning with human preference in complex tasks and scenarios. They are prone to overfit into the unexpected patterns or superficial styles in the training data. We conduct an empirical…

Computation and Language · Computer Science 2024-10-04 Zhipeng Chen , Kun Zhou , Wayne Xin Zhao , Jingyuan Wang , Ji-Rong Wen

Zeroth-order optimization methods are developed to overcome the practical hurdle of having knowledge of explicit derivatives. Instead, these schemes work with merely access to noisy functions evaluations. One of the predominant approaches…

Optimization and Control · Mathematics 2022-08-22 Wouter Jongeneel

The alignment of large language models (LLMs) with human values is critical as these models become increasingly integrated into various societal and decision-making processes. Traditional methods, such as reinforcement learning from human…

Machine Learning · Computer Science 2025-01-08 Prashant Trivedi , Souradip Chakraborty , Avinash Reddy , Vaneet Aggarwal , Amrit Singh Bedi , George K. Atia

Stochastic optimization problems with unknown decision-dependent distributions have attracted increasing attention in recent years due to its importance in applications. Since the gradient of the objective function is inaccessible as a…

Optimization and Control · Mathematics 2025-10-30 Yuya Hikima , Akiko Takeda

Pretrained large language models (LLMs) have revolutionized natural language processing (NLP) tasks such as summarization, question answering, and translation. However, LLMs pose significant security risks due to their tendency to memorize…

Computation and Language · Computer Science 2024-09-24 Zhepeng Wang , Runxue Bao , Yawen Wu , Jackson Taylor , Cao Xiao , Feng Zheng , Weiwen Jiang , Shangqian Gao , Yanfu Zhang

While large language models (LLMs) demonstrate impressive capabilities across numerous applications, their robustness remains a critical concern. This paper is motivated by a specific vulnerability: the order sensitivity of LLMs. This…

Machine Learning · Computer Science 2025-05-22 Beni Egressy , Jan Stühmer

Query optimization is a critical task in database systems, focused on determining the most efficient way to execute a query from an enormous set of possible strategies. Traditional approaches rely on heuristic search methods and cost…

Databases · Computer Science 2025-03-11 Zhiming Yao , Haoyang Li , Jing Zhang , Cuiping Li , Hong Chen

Pretrained large language models (LLMs) are widely used in many sub-fields of natural language processing (NLP) and generally known as excellent few-shot learners with task-specific exemplars. Notably, chain of thought (CoT) prompting, a…

Computation and Language · Computer Science 2023-01-31 Takeshi Kojima , Shixiang Shane Gu , Machel Reid , Yutaka Matsuo , Yusuke Iwasawa