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Molecular editing and optimization are multi-step problems that require iteratively improving properties while keeping molecules chemically valid and structurally similar. We frame both tasks as sequential, tool-guided decisions and…

Artificial Intelligence · Computer Science 2025-12-25 Zhuo Yang , Yeyun Chen , Jiaqing Xie , Ben Gao , Shuaike Shen , Wanhao Liu , Liujia Yang , Beilun Wang , Tianfan Fu , Yuqiang Li

Conventional algorithmic trading systems are grounded in deterministic heuristics or offline-trained statistical models that cannot adapt to the semantic complexity of rapidly shifting market regimes. This paper introduces AGENTICAITA, an…

Trading and Market Microstructure · Quantitative Finance 2026-05-14 Ivan Letteri

Recent AI systems combine large language models with tools, external knowledge via retrieval-augmented generation (RAG), and even autonomous multi-agent decision loops. This agentic AI paradigm greatly expands capabilities - but also vastly…

Cryptography and Security · Computer Science 2026-03-25 Ali Dehghantanha , Sajad Homayoun

Agentic systems increasingly rely on reusable procedural capabilities, \textit{a.k.a., agentic skills}, to execute long-horizon workflows reliably. These capabilities are callable modules that package procedural knowledge with explicit…

Cryptography and Security · Computer Science 2026-02-25 Yanna Jiang , Delong Li , Haiyu Deng , Baihe Ma , Xu Wang , Qin Wang , Guangsheng Yu

The paradigm of agentic AI is shifting from engineered complex workflows to post-training native models. However, existing agents are typically confined to static, predefined action spaces--such as exclusively using APIs, GUI events, or…

Machine Learning · Computer Science 2025-12-11 Kaichen He , Zihao Wang , Muyao Li , Anji Liu , Yitao Liang

Misalignment in Multi-Agent Systems (MAS) is frequently treated as a technical failure. Yet, issues may arise from the conceptual design phase, where semantic ambiguity and normative projection occur. The Rabbit-Duck illusion illustrates…

Multiagent Systems · Computer Science 2025-12-23 Shayak Nandi , Fernanda M. Eliott

Reinforcement learning is a promising approach to learning control policies for performing complex multi-agent robotics tasks. However, a policy learned in simulation often fails to guarantee even simple safety properties such as obstacle…

Systems and Control · Electrical Eng. & Systems 2020-01-01 Wenbo Zhang , Osbert Bastani , Vijay Kumar

Robotic systems are more present in our society everyday. In human-robot environments, it is crucial that end-users may correctly understand their robotic team-partners, in order to collaboratively complete a task. To increase action…

Artificial Intelligence · Computer Science 2021-09-03 Francisco Cruz , Richard Dazeley , Peter Vamplew , Ithan Moreira

Autonomous agents are increasingly entrusted with complex, long-horizon tasks, ranging from mathematical reasoning to software generation. While agentic workflows facilitate these tasks by decomposing them into multi-step reasoning chains,…

Artificial Intelligence · Computer Science 2026-03-03 Yandong Yan , Junwei Peng , Shijie Li , Chenxi Li , Yifei Shang , Can Deng , Ruiting Dai , Yongqiang Zhao , Jiaqi Zhu , Yu Huang

The increasing adoption of Reinforcement Learning in safety-critical systems domains such as autonomous vehicles, health, and aviation raises the need for ensuring their safety. Existing safety mechanisms such as adversarial training,…

Machine Learning · Computer Science 2021-11-11 Paulina Stevia Nouwou Mindom , Amin Nikanjam , Foutse Khomh , John Mullins

As large language models are increasingly deployed as interacting agents in high-stakes decisions, the AI safety community assumes that safety properties of individual models will compose into safe multi-agent behavior. This position paper…

Artificial Intelligence · Computer Science 2026-05-05 Tanav Singh Bajaj , Nikhil Singh , Karan Anand , Eishkaran Singh

Existing Large Language Model (LLM) agents struggle in interactive environments requiring long-horizon planning, primarily due to compounding errors when simulating future states. To address this, we propose ProAct, a framework that enables…

Artificial Intelligence · Computer Science 2026-02-06 Yangbin Yu , Mingyu Yang , Junyou Li , Yiming Gao , Feiyu Liu , Yijun Yang , Zichuan Lin , Jiafei Lyu , Yicheng Liu , Zhicong Lu , Deheng Ye , Jie Jiang

Large language models are increasingly deployed as *deep agents* that plan, maintain persistent state, and invoke external tools, shifting safety failures from unsafe text to unsafe *trajectories*. We introduce **AgentFence**, an…

Cryptography and Security · Computer Science 2026-02-10 Sai Puppala , Ismail Hossain , Md Jahangir Alam , Yoonpyo Lee , Jay Yoo , Tanzim Ahad , Syed Bahauddin Alam , Sajedul Talukder

When language model agents tackle complex software engineering tasks, they often degrade over long trajectories, which we define as *agent drift*. We focus on two recurring failure modes *overthinking* and *overacting*, i.e., where the…

Artificial Intelligence · Computer Science 2026-05-08 Yuan Sui , Yulin Chen , Yibo Li , Xue Jiang , Yufei He , Yihong Dong , Xiaoxin He , Tianyu Gao , Bryan Hooi

Reasoning is central to purposeful action, yet most robotic foundation models map perception and instructions directly to control, which limits adaptability, generalization, and semantic grounding. We introduce Action Reasoning Models…

We stress-tested 16 leading models from multiple developers in hypothetical corporate environments to identify potentially risky agentic behaviors before they cause real harm. In the scenarios, we allowed models to autonomously send emails…

Cryptography and Security · Computer Science 2025-10-17 Aengus Lynch , Benjamin Wright , Caleb Larson , Stuart J. Ritchie , Soren Mindermann , Evan Hubinger , Ethan Perez , Kevin Troy

Large Language Models (LLMs) have enabled the development of powerful agentic systems capable of automating complex workflows across various fields. However, these systems are highly vulnerable to indirect prompt injection attacks, where…

Cryptography and Security · Computer Science 2026-01-16 Hao Li , Yankai Yang , G. Edward Suh , Ning Zhang , Chaowei Xiao

The integration of Large Language Models (LLMs) into cybersecurity education for criminal justice professionals is currently hindered by the "statelessness" of reactive chatbots and the risk of hallucinations in high-stakes legal contexts.…

Human-Computer Interaction · Computer Science 2026-03-20 Baiqiang Wang , Yan Bai , Juan Li

Reliable forecasting of the future behavior of road agents is a critical component to safe planning in autonomous vehicles. Here, we represent continuous trajectories as sequences of discrete motion tokens and cast multi-agent motion…

Computer Vision and Pattern Recognition · Computer Science 2023-09-29 Ari Seff , Brian Cera , Dian Chen , Mason Ng , Aurick Zhou , Nigamaa Nayakanti , Khaled S. Refaat , Rami Al-Rfou , Benjamin Sapp

Affordance prediction, which identifies interaction regions on objects based on language instructions, is critical for embodied AI. Prevailing end-to-end models couple high-level reasoning and low-level grounding into a single monolithic…

Computer Vision and Pattern Recognition · Computer Science 2025-12-17 Zixin Zhang , Kanghao Chen , Hanqing Wang , Hongfei Zhang , Harold Haodong Chen , Chenfei Liao , Litao Guo , Ying-Cong Chen