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Machine learning models of chemical bioactivity are increasingly used for prioritizing a small number of compounds in virtual screening libraries for experimental follow-up. In these applications, assessing model accuracy by early hit…

Chemical Physics · Physics 2026-03-30 Pavel Koptev , Nikita Krainov , Konstantin Malkov , Alexander Tropsha

The memory wall problem arises due to the disparity between fast processors and slower memory, causing significant delays in data access, even more so on edge devices. Data prefetching is a key strategy to address this, with traditional…

Hardware Architecture · Computer Science 2025-04-15 Dhruv Kulkarni , Bharat Bhammar , Henil Thaker , Pranav Dhobi , R. P. Gohil , Sai Manoj Pudukotai Dinkarrao

Uncertainty quantification (UQ) plays a pivotal role in scientific machine learning, especially when surrogate models are used to approximate complex systems. Although multilayer perceptions (MLPs) are commonly employed as surrogates, they…

Numerical Analysis · Mathematics 2025-01-22 Zhiwei Gao , George Em Karniadakis

Although deep reinforcement learning has become a promising machine learning approach for sequential decision-making problems, it is still not mature enough for high-stake domains such as autonomous driving or medical applications. In such…

Machine Learning · Computer Science 2022-02-25 Claire Glanois , Paul Weng , Matthieu Zimmer , Dong Li , Tianpei Yang , Jianye Hao , Wulong Liu

Reinforcement learning (RL) models have shown the capability of learning complex behaviors, but quantitatively assessing those behaviors - which is critical for safety assurance and the discovery of novel strategies - is challenging. By…

Optimization and Control · Mathematics 2026-03-23 William T. Redman

In this paper, we introduce the KANtrol framework, which utilizes Kolmogorov-Arnold Networks (KANs) to solve optimal control problems involving continuous time variables. We explain how Gaussian quadrature can be employed to approximate the…

Optimization and Control · Mathematics 2024-09-11 Alireza Afzal Aghaei

Recent advances in Reinforcement Learning (RL) largely benefit from the inclusion of Deep Neural Networks, boosting the number of novel approaches proposed in the field of Deep Reinforcement Learning (DRL). These techniques demonstrate the…

Machine Learning · Computer Science 2025-07-30 Giovanni Dispoto , Paolo Bonetti , Marcello Restelli

Multi-agent robotic systems are increasingly operating in real-world environments in close proximity to humans, yet are largely controlled by policy models with inscrutable deep neural network representations. We introduce a method for…

Machine Learning · Computer Science 2023-02-24 Renos Zabounidis , Joseph Campbell , Simon Stepputtis , Dana Hughes , Katia Sycara

Recently, a novel model named Kolmogorov-Arnold Networks (KAN) has been proposed with the potential to achieve the functionality of traditional deep neural networks (DNNs) using orders of magnitude fewer parameters by parameterized B-spline…

Hardware Architecture · Computer Science 2024-09-19 Wei-Hsing Huang , Jianwei Jia , Yuyao Kong , Faaiq Waqar , Tai-Hao Wen , Meng-Fan Chang , Shimeng Yu

This study proposes the use of a social learning method to estimate a global state within a multi-agent off-policy actor-critic algorithm for reinforcement learning (RL) operating in a partially observable environment. We assume that the…

Machine Learning · Computer Science 2024-07-09 Ainur Zhaikhan , Ali H. Sayed

Optimized control of quantum networks is essential for enabling distributed quantum applications with strict performance requirements. In near-term architectures with constrained hardware, effective control may determine the feasibility of…

Reinforcement learning (RL) is a promising tool to solve robust optimal well control problems where the model parameters are highly uncertain, and the system is partially observable in practice. However, RL of robust control policies often…

Machine Learning · Computer Science 2022-07-14 Atish Dixit , Ahmed H. ElSheikh

Kolmogorov-Arnold Networks (KAN) models were recently proposed and claimed to provide improved parameter scaling and interpretability compared to conventional multilayer perceptron (MLP) models. Inspired by the KAN architecture, we propose…

We introduce Graph Kolmogorov-Arnold Networks (GKAN), an innovative neural network architecture that extends the principles of the recently proposed Kolmogorov-Arnold Networks (KAN) to graph-structured data. By adopting the unique…

Machine Learning · Computer Science 2024-06-11 Mehrdad Kiamari , Mohammad Kiamari , Bhaskar Krishnamachari

Resource balancing within complex transportation networks is one of the most important problems in real logistics domain. Traditional solutions on these problems leverage combinatorial optimization with demand and supply forecasting.…

Multiagent Systems · Computer Science 2019-03-05 Xihan Li , Jia Zhang , Jiang Bian , Yunhai Tong , Tie-Yan Liu

Kolmogorov-Arnold Networks (KANs) offer a structured and interpretable framework for multivariate function approximation by composing univariate transformations through additive or multiplicative aggregation. This paper establishes…

Machine Learning · Computer Science 2025-12-05 Wei Liu , Eleni Chatzi , Zhilu Lai

We propose a novel approach that enhances multivariate function approximation using learnable path signatures and Kolmogorov-Arnold networks (KANs). We enhance the learning capabilities of these networks by weighting the values obtained by…

Machine Learning · Computer Science 2024-12-10 Hugo Inzirillo , Remi Genet

In this work, we propose a modified Hybrid Parallel Kolmogorov--Arnold Network and Multilayer Perceptron Physics-Informed Neural Network to overcome the high-frequency and multiscale challenges inherent in Physics-Informed Neural Networks.…

Numerical Analysis · Mathematics 2025-11-27 Qiumei Huang , Xu Wang , Yu Zhao

The COVID-19 pandemic has highlighted the importance of supply chains and the role of digital management to react to dynamic changes in the environment. In this work, we focus on developing dynamic inventory ordering policies for a…

Machine Learning · Computer Science 2023-03-23 Julien Siems , Maximilian Schambach , Sebastian Schulze , Johannes S. Otterbach

This paper presents a problem in power networks that creates an exciting and yet challenging real-world scenario for application of multi-agent reinforcement learning (MARL). The emerging trend of decarbonisation is placing excessive stress…

Machine Learning · Computer Science 2022-01-24 Jianhong Wang , Wangkun Xu , Yunjie Gu , Wenbin Song , Tim C. Green
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