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The proliferation of large language models (LLMs) has accelerated the adoption of agent-based workflows, where multiple autonomous agents reason, invoke functions, and collaborate to compose complex data pipelines. However, current…

Databases · Computer Science 2025-12-15 Zoi Kaoudi , Ioana Giurgiu

Optimizing an expensive-to-query function is a common task in science and engineering, where it is beneficial to keep the number of queries to a minimum. A popular strategy is Bayesian optimization (BO), which leverages probabilistic models…

Machine Learning · Computer Science 2019-07-05 Willie Neiswanger , Kirthevasan Kandasamy , Barnabas Poczos , Jeff Schneider , Eric Xing

Black-box optimization often relies on evolutionary and swarm algorithms whose performance is highly problem dependent. We view an optimizer as a short program over a small vocabulary of search operators and learn this operator program…

Neural and Evolutionary Computing · Computer Science 2025-12-16 Junbo Jacob Lian , Mingyang Yu , Kaichen Ouyang , Shengwei Fu , Rui Zhong , Yujun Zhang , Jun Zhang , Huiling Chen

Optimizing instructions for large language models (LLMs) is critical for harnessing their full potential in complex and diverse tasks. However, relying solely on white-box approaches demands extensive computational resources and offers…

Computation and Language · Computer Science 2025-06-30 Yanwei Ren , Liu Liu , Baosheng Yu , Jiayan Qiu , Quan Chen

Agentic systems enable the intelligent use of research tooling, augmenting a researcher's ability to investigate and propose novel solutions to existing problems. Within Additive Manufacturing (AM), alloy selection and evaluation remains a…

Artificial Intelligence · Computer Science 2026-01-27 Peter Pak , Achuth Chandrasekhar , Amir Barati Farimani

This paper investigates the effectiveness of small language models (SLMs) for agentic tasks (function/tool/API calling) with a focus on running agents on edge devices without reliance on cloud infrastructure. We evaluate SLMs using the…

Machine Learning · Computer Science 2025-12-01 Mohd Ariful Haque , Fahad Rahman , Kishor Datta Gupta , Khalil Shujaee , Roy George

Large Language Models (LLMs) have demonstrated remarkable reasoning abilities, prompting interest in their application as black-box optimizers. This paper asserts that LLMs possess the capability for zero-shot optimization across diverse…

There has been unprecedented interest in developing agents that expand the boundary of scientific discovery, primarily by optimizing quantitative objective functions specified by scientists. However, for grand challenges in science, these…

Inventory management remains a challenge for many small and medium-sized businesses that lack the expertise to deploy advanced optimization methods. This paper investigates whether Large Language Models (LLMs) can help bridge this gap. We…

Artificial Intelligence · Computer Science 2026-01-05 Yaqi Duan , Yichun Hu , Jiashuo Jiang

Recent advancements in large language models (LLMs) have enabled LLM-based agents to successfully tackle interactive planning tasks. However, despite their successes, existing approaches often suffer from planning hallucinations and require…

Computation and Language · Computer Science 2025-09-11 Weimin Xiong , Yifan Song , Qingxiu Dong , Bingchan Zhao , Feifan Song , Xun Wang , Sujian Li

Automatic Chemical Design is a framework for generating novel molecules with optimized properties. The original scheme, featuring Bayesian optimization over the latent space of a variational autoencoder, suffers from the pathology that it…

Machine Learning · Statistics 2019-08-13 Ryan-Rhys Griffiths , José Miguel Hernández-Lobato

Automating operations research (OR) with large language models (LLMs) remains limited by hand-crafted reasoning--execution workflows. Complex OR tasks require adaptive coordination among problem interpretation, mathematical formulation,…

Artificial Intelligence · Computer Science 2026-04-21 Jiahao Huang , Peilan Xu , Xiaoya Nan , Wenjian Luo

Understanding the vulnerabilities of Large Vision Language Models (LVLMs) to jailbreak attacks is essential for their responsible real-world deployment. Most previous work requires access to model gradients, or is based on human knowledge…

Cryptography and Security · Computer Science 2025-09-03 Ruoxi Cheng , Yizhong Ding , Shuirong Cao , Ranjie Duan , Xiaoshuang Jia , Shaowei Yuan , Simeng Qin , Zhiqiang Wang , Xiaojun Jia

Black-box optimization is increasingly used in engineering design problems where simulation-based evaluations are costly and gradients are unavailable. In this context, the optimization community has largely analyzed algorithm performance…

Neural and Evolutionary Computing · Computer Science 2026-02-06 Iván Olarte Rodríguez , Gokhan Serhat , Mariusz Bujny , Fabian Duddeck , Thomas Bäck , Elena Raponi

The personalization of black-box large language models (LLMs) is a critical yet challenging task. Existing approaches predominantly rely on context injection, where user history is embedded into the prompt to directly guide the generation…

Computation and Language · Computer Science 2025-11-10 Teqi Hao , Xioayu Tan , Shaojie Shi , Yinghui Xu , Xihe Qiu

Automatic Prompt Optimization (APO) has emerged as a critical technique for enhancing Large Language Model (LLM) performance, yet current state-of-the-art methods typically rely on large, labeled gold-standard development sets to compute…

The deployment of Large Language Models (LLMs) for structuring clinical data is critically hindered by their tendency to hallucinate facts and their inability to follow domain-specific rules. To address this, we introduce MedPAO, a novel…

Despite the extensive use of the agent technology in the Supply Chain Management field, its integration with Advanced Planning and Scheduling (APS) tools still represents a promising field with several open research questions. Specifically,…

Multiagent Systems · Computer Science 2011-07-19 Luis Antonio de Santa-Eulalia , Sophie D'Amours , Jean-Marc Frayret

Optical design is the process of configuring optical elements to precisely manipulate light for high-fidelity imaging. It is inherently a highly non-convex optimization problem that relies heavily on human heuristic expertise and…

Machine Learning · Computer Science 2026-03-02 Yuyu Geng , Lei Sun , Yao Gao , Xinxin Hu , Zhonghua Yi , Xiaolong Qian , Weijian Hu , Jian Bai , Kaiwei Wang

We present APT, an advanced Large Language Model (LLM)-driven framework that enables autonomous agents to construct complex and creative structures within the Minecraft environment. Unlike previous approaches that primarily concentrate on…

Machine Learning · Computer Science 2024-12-03 Jun Yu Chen , Tao Gao