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The dynamics of molecules are governed by rare event transitions between long-lived (metastable) states. To explore these transitions efficiently, many enhanced sampling protocols have been introduced that involve using simulations with…

Chemical Physics · Physics 2022-09-30 Maaike M. Galama , Hao Wu , Andreas Krämer , Mohsen Sadeghi , Frank Noé

Interactive large language model agents have advanced rapidly, but most remain specialized to a single environment and fail to adapt robustly to other environments. Model merging offers a training-free alternative by integrating multiple…

Artificial Intelligence · Computer Science 2026-01-13 Zhuoka Feng , Kang Chen , Sihan Zhao , Kai Xiong , Yaoning Wang , Minshen Yu , Junjie Nian , Changyi Xiao , Yixin Cao , Yugang Jiang

Despite the frequent use of agent-based models (ABMs) for studying social phenomena, parameter estimation remains a challenge, often relying on costly simulation-based heuristics. This work uses variational inference to estimate the…

Computers and Society · Computer Science 2025-12-04 Jacopo Lenti , Fabrizio Silvestri , Gianmarco De Francisci Morales

A data-driven approach called CaNN (Calibration Neural Network) is proposed to calibrate financial asset price models using an Artificial Neural Network (ANN). Determining optimal values of the model parameters is formulated as training…

Computational Finance · Quantitative Finance 2020-02-03 Shuaiqiang Liu , Anastasia Borovykh , Lech A. Grzelak , Cornelis W. Oosterlee

Recognizing implicit visual and textual patterns is essential in many real-world applications of modern AI. However, tackling long-tail pattern recognition tasks remains challenging for current pre-trained foundation models such as LLMs and…

Computer Vision and Pattern Recognition · Computer Science 2026-03-03 Minxue Tang , Yangyang Yu , Aolin Ding , Maziyar Baran Pouyan , Taha Belkhouja , Yujia Bao

Parameter identification for marine ecosystem models is important for the assessment and validation of marine ecosystem models against observational data. The surrogate-based optimization (SBO) is a computationally efficient method to…

Atmospheric and Oceanic Physics · Physics 2021-12-01 Markus Pfeil , Thomas Slawig

Regularization method and Bayesian inverse method are two dominating ways for solving inverse problems generated from various fields, e.g., seismic exploration and medical imaging. The two methods are related with each other by the MAP…

Numerical Analysis · Mathematics 2019-06-18 Junxiong Jia , Qihang Sun , Bangyu Wu , Jigen Peng

Agent based modelling (ABM) is a computational approach to modelling complex systems by specifying the behaviour of autonomous decision-making components or agents in the system and allowing the system dynamics to emerge from their…

Artificial Intelligence · Computer Science 2023-05-22 Leo Ardon , Jared Vann , Deepeka Garg , Tom Spooner , Sumitra Ganesh

The ability to construct a realistic simulator of financial exchanges, including reproducing the dynamics of the limit order book, can give insight into many counterfactual scenarios, such as a flash crash, a margin call, or changes in…

Machine Learning · Computer Science 2023-11-28 Namid R. Stillman , Rory Baggott , Justin Lyon , Jianfei Zhang , Dingqiu Zhu , Tao Chen , Perukrishnen Vytelingum

Capturing and simulating intelligent adaptive behaviours within spatially explicit individual-based models remains an ongoing challenge for researchers. While an ever-increasing abundance of real-world behavioural data are collected, few…

Multiagent Systems · Computer Science 2022-01-05 Sedar Olmez , Dan Birks , Alison Heppenstall

The nonconvex and nonsmooth finite-sum optimization problem with linear constraint has attracted much attention in the fields of artificial intelligence, computer, and mathematics, due to its wide applications in machine learning and the…

Optimization and Control · Mathematics 2023-07-11 Yuxuan Zeng , Zhiguo Wang , Jianchao Bai , Xiaojing Shen

Agent-based models (ABMs) stand as an essential paradigm for proposing and validating hypothetical solutions or policies aimed at addressing challenges posed by complex systems and achieving various objectives. This process demands…

Computation and Language · Computer Science 2024-04-02 Tong Niu , Weihao Zhang , Rong Zhao

Agent Based Modelling (ABM) is a computational framework for simulating the behaviours and interactions of autonomous agents. As Agent Based Models are usually representative of complex systems, obtaining a likelihood function of the model…

Artificial Intelligence · Computer Science 2021-07-09 D. Townsend

Agent-based modeling (ABM) has emerged as a powerful tool in social policy-making and socio-economics, offering a flexible and dynamic approach to understanding and simulating complex systems. While traditional analytic methods may be less…

Multiagent Systems · Computer Science 2025-04-03 Shayan Firouzian Haji

Trust region methods are widely applied in single-agent reinforcement learning problems due to their monotonic performance-improvement guarantee at every iteration. Nonetheless, when applied in multi-agent settings, the guarantee of trust…

Multiagent Systems · Computer Science 2021-06-15 Ying Wen , Hui Chen , Yaodong Yang , Zheng Tian , Minne Li , Xu Chen , Jun Wang

Agent-based models, particularly those applied to financial markets, demonstrate the ability to produce realistic, simulated system dynamics, comparable to those observed in empirical investigations. Despite this, they remain fairly…

Computational Finance · Quantitative Finance 2017-03-24 Donovan Platt , Tim Gebbie

This paper develops a surrogate model refinement approach for the simulation of dynamical systems and the solution of optimization problems governed by dynamical systems in which surrogates replace expensive-to-compute state- and…

Optimization and Control · Mathematics 2025-09-08 Jonathan R. Cangelosi , Matthias Heinkenschloss

Agent-based epidemic models (ABMs) encode behavioral and policy heterogeneity but are too slow for nightly hospital planning. We develop county-ready surrogates that learn directly from exascale ABM trajectories using Universal Differential…

The transition of the power grid requires new technologies and methodologies, which can only be developed and tested in simulations. Especially larger simulation setups with many levels of detail can become quite slow. Therefore, the number…

Signal Processing · Electrical Eng. & Systems 2020-06-23 Stephan Balduin , Tom Westermann , Erika Puiutta

A large class of spatial models contains intractable normalizing functions, such as spatial lattice models, interaction spatial point processes, and social network models. Bayesian inference for such models is challenging since the…

Methodology · Statistics 2026-01-05 Jong Hyeon Lee , Jongmin Kim , Heesang Lee , Jaewoo Park