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Process simulation is a critical cornerstone of chemical engineering design. Current automated chemical design methodologies focus mainly on various representations of process flow diagrams. However, transforming these diagrams into…

Artificial Intelligence · Computer Science 2026-01-13 Xufei Tian , Wenli Du , Shaoyi Yang , Han Hu , Hui Xin , Shifeng Qu , Ke Ye

Improving GPU kernel efficiency is crucial for advancing AI systems. Recent work has explored leveraging large language models (LLMs) for GPU kernel generation and optimization. However, existing LLM-based kernel optimization pipelines…

Machine Learning · Computer Science 2026-03-12 Qitong Sun , Jun Han , Tianlin Li , Zhe Tang , Sheng Chen , Fei Yang , Aishan Liu , Xianglong Liu , Yang Liu

Autonomous agents for desktop automation struggle with complex multi-step tasks due to poor coordination and inadequate quality control. We introduce Agentic Lybic, a novel multi-agent system where the entire architecture operates as a…

Artificial Intelligence · Computer Science 2025-09-17 Liangxuan Guo , Bin Zhu , Qingqian Tao , Kangning Liu , Xun Zhao , Xianzhe Qin , Jin Gao , Guangfu Hao

Quantum computing devices are recognized as powerful tools for solving NP-complete problems. However, the intricacy of their modeling presents notable barriers for non-specialists, while the tedious iteration of constraint weights and…

Artificial Intelligence · Computer Science 2026-05-26 Wang Rui , Lu Diannan

Non-prehensile manipulation in high-dimensional systems is challenging for a variety of reasons. One of the main reasons is the computationally long planning times that come with a large state space. Trajectory optimisation algorithms have…

Robotics · Computer Science 2024-09-13 David Russell , Rafael Papallas , Mehmet Dogar

Safe deployment of Large Language Model (LLM) agents in autonomous settings requires reliable oversight mechanisms. A central challenge is detecting scheming, where agents covertly pursue misaligned goals. One approach to mitigating such…

Computation and Language · Computer Science 2026-03-03 Simon Storf , Rich Barton-Cooper , James Peters-Gill , Marius Hobbhahn

Large language models (LLMs) are revolutionizing education, with LLM-based agents playing a key role in simulating student behavior. A major challenge in student simulation is modeling the diverse learning patterns of students at various…

Machine Learning · Computer Science 2025-08-12 Tao Wu , Jingyuan Chen , Wang Lin , Mengze Li , Yumeng Zhu , Ang Li , Kun Kuang , Fei Wu

Planning is central to agents and agentic AI. The ability to plan, e.g., creating travel itineraries within a budget, holds immense potential in both scientific and commercial contexts. Moreover, optimal plans tend to require fewer…

Artificial Intelligence · Computer Science 2025-04-22 Haoming Li , Zhaoliang Chen , Jonathan Zhang , Fei Liu

AI-assisted learning has seen a remarkable uptick over the last few years, mainly due to the rise in popularity of Large Language Models (LLMs). Their ability to hold long-form, natural language interactions with users makes them excellent…

Human-Computer Interaction · Computer Science 2025-10-08 Prashanth Arun , Vinita Vader , Erya Xu , Brent McCready-Branch , Sarah Seabrook , Kyle Scholz , Ana Crisan , Igor Grossmann , Pascal Poupart

Cryptocurrency investment is inherently difficult due to its shorter history compared to traditional assets, the need to integrate vast amounts of data from various modalities, and the requirement for complex reasoning. While deep learning…

Trading and Market Microstructure · Quantitative Finance 2025-01-08 Yichen Luo , Yebo Feng , Jiahua Xu , Paolo Tasca , Yang Liu

Large language models (LLMs) are catalyzing the development of autonomous AI research agents for scientific and engineering discovery. We present FM Agent, a novel and general-purpose multi-agent framework that leverages a synergistic…

We introduce LATTICE, a benchmark for evaluating the decision support utility of crypto agents in realistic user-facing scenarios. Prior crypto agent benchmarks mainly focus on reasoning-based or outcome-based evaluation, but do not assess…

Cryptography and Security · Computer Science 2026-04-30 Aaron Chan , Tengfei Li , Tianyi Xiao , Angela Chen , Junyi Du , Xiang Ren

The rapid progress in quantum computing (QC) and machine learning (ML) has attracted growing attention, prompting extensive research into quantum machine learning (QML) algorithms to solve diverse and complex problems. Designing…

Quantum Physics · Physics 2025-01-13 Samuel Yen-Chi Chen , Huan-Hsin Tseng , Hsin-Yi Lin , Shinjae Yoo

To deploy safe and agile robots in cluttered environments, there is a need to develop fully decentralized controllers that guarantee safety, respect actuation limits, prevent deadlocks, and scale to thousands of agents. Current approaches…

Robotics · Computer Science 2024-09-17 Vrushabh Zinage , Abhishek Jha , Rohan Chandra , Efstathios Bakolas

Assistive agents should not only take actions on behalf of a human, but also step out of the way and cede control when there are important decisions to be made. However, current methods for building assistive agents, whether via mimicking…

Artificial Intelligence · Computer Science 2025-10-17 Evan Ellis , Vivek Myers , Jens Tuyls , Sergey Levine , Anca Dragan , Benjamin Eysenbach

Recent advances in frontier large language models have enabled code review agents that operate in open-ended, reasoning-intensive settings. However, the lack of standardized benchmarks and granular evaluation protocols makes it difficult to…

Software Engineering · Computer Science 2026-03-13 Kristen Pereira , Neelabh Sinha , Rajat Ghosh , Debojyoti Dutta

Drug discovery frequently loses momentum when data, expertise, and tools are scattered, slowing design cycles. To shorten this loop we built a hierarchical, tool using agent framework that automates molecular optimisation. A Principal…

Machine Learning · Computer Science 2025-08-06 Atabey Ünlü , Phil Rohr , Ahmet Celebi

Large Language Models (LLMs) represent a landmark achievement in Artificial Intelligence (AI), demonstrating unprecedented proficiency in procedural tasks such as text generation, code completion, and conversational coherence. These…

Artificial Intelligence · Computer Science 2025-05-07 Schaun Wheeler , Olivier Jeunen

Optimal control is highly desirable in many current quantum systems, especially to realize tasks in quantum information processing. We introduce a method based on differentiable programming to leverage explicit knowledge of the differential…

Quantum Physics · Physics 2020-09-04 Frank Schäfer , Michal Kloc , Christoph Bruder , Niels Lörch

LLM-based coding agents are increasingly used to generate code, tests, and documentation. Still, their outputs can be plausible yet misaligned with developer intent and provide limited evidence for review in evolving projects. This limits…

Software Engineering · Computer Science 2026-04-14 Ragib Shahariar Ayon