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Sequential planning in large state space and action space quickly becomes intractable due to combinatorial explosion of the search space. Heuristic methods, like monte-carlo tree search, though effective for large state space, but struggle…

Artificial Intelligence · Computer Science 2023-12-13 Swarna Kamal Paul

We contribute to fulfil the long-lasting gap in the understanding of the spatial search with multiple marked vertices. The theoretical framework is that of discrete-time quantum walks (QW), \textit{i.e.} local unitary matrices that drive…

Quantum Physics · Physics 2023-01-06 Mathieu Roget , Hachem Kadri , Giuseppe Di Molfetta

Combination therapies are often needed for effective clinical outcomes in the management of complex diseases, but presently they are generally based on empirical clinical experience. Here we suggest a novel application of search algorithms,…

Agentic retrieval-augmented generation (RAG) systems enable large language models (LLMs) to solve complex tasks through multi-step interaction with external retrieval tools. However, such multi-step interaction often involves redundant…

Artificial Intelligence · Computer Science 2026-04-21 Jingbo Sun , Wenyue Chong , Songjun Tu , Qichao Zhang , Yaocheng Zhang , Jiajun Chai , Xiaohan Wang , Wei Lin , Guojun Yin , Dongbin Zhao

While automated chemical tools excel at specific tasks, they have struggled to capture the strategic thinking that characterizes expert chemical reasoning. Here we demonstrate that large language models (LLMs) can serve as powerful tools…

Artificial Intelligence · Computer Science 2025-07-25 Andres M Bran , Theo A Neukomm , Daniel P Armstrong , Zlatko Jončev , Philippe Schwaller

Building state-of-the-art (SOTA) predictive models for drug discovery requires expensive search over tools, architectures, and training strategies. Current LLM-based agents can find SOTA solutions through extensive trial and error, but they…

Machine Learning · Computer Science 2026-05-18 Yikun Zhang , Xiwei Cheng , Tianyu Liu , Yuanqi Du , Wengong Jin

The development of self-propelled particles at the micro- and the nanoscale has sparked a huge potential for future applications in active matter physics, microsurgery, and targeted drug delivery. However, while the latter applications…

Soft Condensed Matter · Physics 2022-08-24 Mahdi Nasiri , Benno Liebchen

Joint attention - the ability to purposefully coordinate attention with another agent, and mutually attend to the same thing -- is a critical component of human social cognition. In this paper, we ask whether joint attention can be useful…

Artificial Intelligence · Computer Science 2021-08-10 Dennis Lee , Natasha Jaques , Chase Kew , Jiaxing Wu , Douglas Eck , Dale Schuurmans , Aleksandra Faust

Efficient exploration is critical for multiagent systems to discover coordinated strategies, particularly in open-ended domains such as search and rescue or planetary surveying. However, when exploration is encouraged only at the individual…

Multiagent Systems · Computer Science 2026-02-13 Ayhan Alp Aydeniz , Robert Loftin , Kagan Tumer

The evolution of recommender systems has shifted from traditional collaborative filtering to LLM-based agentic systems, which rely on semantic user and item memories to make predictions. However, existing agents maintain these memories in…

Information Retrieval · Computer Science 2026-04-29 Weixin Chen , Yuhan Zhao , Jingyuan Huang , Zihe Ye , Clark Mingxuan Ju , Tong Zhao , Neil Shah , Li Chen , Yongfeng Zhang

Model free reinforcement learning suffers from the high sampling complexity inherent to robotic manipulation or locomotion tasks. Most successful approaches typically use random sampling strategies which leads to slow policy convergence. In…

Robotics · Computer Science 2019-08-13 Miroslav Bogdanovic , Ludovic Righetti

Multi-agent systems (MAS) extend large language models (LLMs) from independent single-model reasoning to coordinative system-level intelligence. While existing LLM agents depend on text-based mediation for reasoning and communication, we…

Computation and Language · Computer Science 2025-12-09 Jiaru Zou , Xiyuan Yang , Ruizhong Qiu , Gaotang Li , Katherine Tieu , Pan Lu , Ke Shen , Hanghang Tong , Yejin Choi , Jingrui He , James Zou , Mengdi Wang , Ling Yang

We propose a model for demonstrating spontaneous emergence of collective intelligent behavior from selfish individual agents. Agents' behavior is modeled using our proposed selfish algorithm ($SA$) with three learning mechanisms: reinforced…

Adaptation and Self-Organizing Systems · Physics 2020-01-06 Korosh Mahmoodi , Bruce J. West , Cleotilde Gonzalez

Efficient exploration is a long-standing problem in sensorimotor learning. Major advances have been demonstrated in noise-free, non-stochastic domains such as video games and simulation. However, most of these formulations either get stuck…

Machine Learning · Computer Science 2019-06-11 Deepak Pathak , Dhiraj Gandhi , Abhinav Gupta

When do machine learning systems fail to generalize, and what mechanisms could improve their generalization? Here, we draw inspiration from cognitive science to argue that one weakness of parametric machine learning systems is their failure…

Machine Learning · Computer Science 2025-12-24 Andrew Kyle Lampinen , Martin Engelcke , Yuxuan Li , Arslan Chaudhry , James L. McClelland

In chemotaxis, cells are modulating their migration patterns in response to concentration gradients of a guiding substance. Immune cells are believed to use such chemotactic sensing for remotely detecting and homing in on pathogens.…

Cell Behavior · Quantitative Biology 2019-02-28 Claus Metzner

Highly autonomous generative agents powered by large language models promise to simulate intricate social behaviors in virtual societies. However, achieving real-time interactions with humans at a low computational cost remains challenging.…

Human-Computer Interaction · Computer Science 2023-10-04 Zhao Kaiya , Michelangelo Naim , Jovana Kondic , Manuel Cortes , Jiaxin Ge , Shuying Luo , Guangyu Robert Yang , Andrew Ahn

What is a good exploration strategy for an agent that interacts with an environment in the absence of external rewards? Ideally, we would like to get a policy driving towards a uniform state-action visitation (highly exploring) in a minimum…

Machine Learning · Computer Science 2019-12-20 Mirco Mutti , Marcello Restelli

As advances in artificial intelligence enable increasingly capable learning-based autonomous agents, it becomes more challenging for human observers to efficiently construct a mental model of the agent's behaviour. In order to successfully…

Robotics · Computer Science 2023-04-04 Peter Du , Surya Murthy , Katherine Driggs-Campbell

High sample complexity remains a barrier to the application of reinforcement learning (RL), particularly in multi-agent systems. A large body of work has demonstrated that exploration mechanisms based on the principle of optimism under…

Machine Learning · Computer Science 2021-08-02 Robert Loftin , Aadirupa Saha , Sam Devlin , Katja Hofmann