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Large Language Models (LLMs) have experienced great advancements in the last year resulting in an increase of these models in several fields to face natural language tasks. The integration of these models in robotics can also help to…

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

The design space of agentic AI inference spans two extremes: frontier large language models (LLMs), typically hosted in the cloud and offering strong performance across a wide range of tasks at substantially high cost, and more…

Multiagent Systems · Computer Science 2026-05-29 Corrado Rainone , Davide Belli , Bence Major , Arash Behboodi

Designing effective software architectures is a complex, iterative process that traditionally relies on expert judgment. This paper proposes an approach for Large Language Model (LLM)-assisted software architecture design using the…

Software Engineering · Computer Science 2025-07-01 Humberto Cervantes , Rick Kazman , Yuanfang Cai

Protein engineering is an emerging field in biotechnology that has the potential to revolutionize various areas, such as antibody design, drug discovery, food security, ecology, and more. However, the mutational space involved is too vast…

Biomolecules · Quantitative Biology 2023-07-28 Yuchi Qiu , Guo-Wei Wei

Large language models (LLMs) and agent techniques have brought a fundamental shift in the functionality and development paradigm of data analysis tasks (a.k.a LLM/Agent-as-Data-Analyst), demonstrating substantial impact across both academia…

Artificial intelligence is reshaping scientific exploration, but most methods automate procedural tasks without engaging in scientific reasoning, limiting autonomy in discovery. We introduce Materials Agents for Simulation and Theory in…

As AI agents powered by Large Language Models (LLMs) become increasingly versatile and capable of addressing a broad spectrum of tasks, ensuring their security has become a critical challenge. Among the most pressing threats are prompt…

Artificial Intelligence is moving from models that only generate text to Agentic AI, where systems behave as autonomous entities that can perceive, reason, plan, and act. Large Language Models (LLMs) are no longer used only as passive…

Artificial Intelligence · Computer Science 2026-01-21 Arunkumar V , Gangadharan G. R. , Rajkumar Buyya

Language model (LM) agents are increasingly being used to automate complicated tasks in digital environments. Just as humans benefit from powerful software applications, such as integrated development environments, for complex tasks like…

Software Engineering · Computer Science 2024-11-13 John Yang , Carlos E. Jimenez , Alexander Wettig , Kilian Lieret , Shunyu Yao , Karthik Narasimhan , Ofir Press

Human-level driving is an ultimate goal of autonomous driving. Conventional approaches formulate autonomous driving as a perception-prediction-planning framework, yet their systems do not capitalize on the inherent reasoning ability and…

Computer Vision and Pattern Recognition · Computer Science 2024-07-30 Jiageng Mao , Junjie Ye , Yuxi Qian , Marco Pavone , Yue Wang

Modern signal processing (SP) pipelines, whether model-based or data-driven, often constrained by complex and fragmented workflow, rely heavily on expert knowledge and manual engineering, and struggle with adaptability and generalization…

Machine Learning · Computer Science 2025-10-31 Junlong Ke , Qiying Hu , Shenghai Yuan , Yuecong Xu , Jianfei Yang

Software code generation using Large Language Models (LLMs) is one of the most successful applications of modern artificial intelligence. Foundational models are very effective for popular frameworks that benefit from documentation,…

Software Engineering · Computer Science 2025-10-01 Dmitriy Kostunin , Vladimir Sotnikov , Sergo Golovachev , Abhay Mehta , Tim Lukas Holch , Elisa Jones

Analogical reasoning, the transfer of relational structures across contexts (e.g., planet is to sun as electron is to nucleus), is fundamental to scientific discovery. Yet human insight is often constrained by domain expertise and…

Machine Learning · Computer Science 2025-10-28 Hongyu Guo

This work presents an analytical framework for the design and analysis of LLM-based algorithms, i.e., algorithms that contain one or multiple calls of large language models (LLMs) as sub-routines and critically rely on the capabilities of…

Machine Learning · Computer Science 2025-10-14 Yanxi Chen , Yaliang Li , Bolin Ding , Jingren Zhou

Large Language Models (LLMs) and Multi-Agent LLMs (MALLMs) introduce non-determinism unlike traditional or machine learning software, requiring new approaches to verifying correctness beyond simple output comparisons or statistical accuracy…

Software Engineering · Computer Science 2025-10-22 Felix Dobslaw , Robert Feldt , Juyeon Yoon , Shin Yoo

We propose a hybrid architecture that integrates decision tree-based symbolic reasoning with the generative capabilities of large language models (LLMs) within a coordinated multi-agent framework. Unlike prior approaches that loosely couple…

Artificial Intelligence · Computer Science 2025-08-08 Andrew Kiruluta

The booming success of LLMs initiates rapid development in LLM agents. Though the foundation of an LLM agent is the generative model, it is critical to devise the optimal reasoning strategies and agent architectures. Accordingly, LLM agent…

Large language models (LLMs) are rapidly transforming materials science. This review examines recent LLM applications across the materials discovery pipeline, focusing on three key areas: mining scientific literature , predictive modelling,…

Computation and Language · Computer Science 2025-11-17 Fengxu Yang , Weitong Chen , Jack D. Evans

Existing Protein Language Models (PLMs) often suffer from limited adaptability to multiple tasks and exhibit poor generalization across diverse biological contexts. In contrast, general-purpose Large Language Models (LLMs) lack the…

Machine Learning · Computer Science 2026-02-23 Yujia Wang , Jihong Guan , Wengen Li , Shuigeng Zhou , Xuhong Wang
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