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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

Tabular data analysis presents unique challenges that arise from heterogeneous feature types, missing values, and complex feature interactions. While traditional machine learning methods like gradient boosting often outperform deep…

Machine Learning · Computer Science 2025-12-10 Ali Eslamian , Alireza Afzal Aghaei , Qiang Cheng

We offer a new proposal for the Monte Carlo treatment of many-fermion systems in continuous space. It is based upon Diffusion Monte Carlo with significant modifications: correlated pairs of random walkers that carry opposite signs;…

Condensed Matter · Physics 2009-10-31 M. H. Kalos , Francesco Pederiva

We study posterior contraction rates for sparse Bayesian Kolmogorov-Arnold networks (KANs) over anisotropic Besov spaces, providing a statistical foundation of KANs from a Bayesian point of view. We show that sparse Bayesian KANs equipped…

Machine Learning · Statistics 2026-05-13 Jeunghun Oh , Kyeongwon Lee , Jaeyong Lee , Lizhen Lin

Kolmogorov-Arnold Networks (KANs) have recently emerged as a compelling alternative to multilayer perceptrons, offering enhanced interpretability via functional decomposition. However, existing KAN architectures, including spline-,…

Machine Learning · Computer Science 2026-02-19 Sidharth S. Menon , Ameya D. Jagtap

Ultrafast online learning is essential for high-frequency systems, such as controls for quantum computing and nuclear fusion, where adaptation must occur on sub-microsecond timescales. Meeting these requirements demands low-latency,…

Hardware Architecture · Computer Science 2026-05-05 Duc Hoang , Aarush Gupta , Philip Harris

The discovery of high-performance thermoelectric materials requires models that are both accurate and interpretable. Traditional machine learning approaches, while effective at property prediction, often act as black boxes and provide…

Materials Science · Physics 2025-12-15 Marco Fronzi , Michael J. Ford , Kamal Singh Nayal , Olexandr Isayev , Catherine Stampfl

Score prediction is crucial in evaluating realistic image sharpness based on collected informative features. Recently, Kolmogorov-Arnold networks (KANs) have been developed and witnessed remarkable success in data fitting. This study…

Computer Vision and Pattern Recognition · Computer Science 2024-12-06 Shaode Yu , Ze Chen , Zhimu Yang , Jiacheng Gu , Bizu Feng

Algorithmic level developments like Convolutional Neural Networks, transformers, attention mechanism, Retrieval Augmented Generation and so on have changed Artificial Intelligence. Recent such development was observed by Kolmogorov-Arnold…

Computer Vision and Pattern Recognition · Computer Science 2025-06-03 Ashim Dahal , Saydul Akbar Murad , Nick Rahimi

Uncovering the underlying dynamics from observed data is a critical task in various scientific fields. Recent advances have shown that combining deep learning techniques with linear multistep methods (LMMs) can be highly effective for this…

Numerical Analysis · Mathematics 2025-01-28 Jintao Hu , Hongjiong Tian , Qian Guo

Kolmogorov Arnold Networks (KANs) are recent architectural advancement in neural computation that offer a mathematically grounded alternative to standard neural networks. This study presents an empirical evaluation of KANs in context of…

Machine Learning · Computer Science 2025-07-21 Pankaj Yadav , Vivek Vijay

Artificial Neural Networks (ANNs) have significantly advanced various fields by effectively recognizing patterns and solving complex problems. Despite these advancements, their interpretability remains a critical challenge, especially in…

Machine Learning · Computer Science 2025-11-24 Alejandro Polo-Molina , David Alfaya , Jose Portela

We introduce Kolmogorov--Arnold Neural Operator (KANO), a dual-domain neural operator jointly parameterized by both spectral and spatial bases with intrinsic symbolic interpretability. We theoretically demonstrate that KANO overcomes the…

Machine Learning · Computer Science 2026-02-26 Jin Lee , Ziming Liu , Xinling Yu , Yixuan Wang , Haewon Jeong , Murphy Yuezhen Niu , Zheng Zhang

Deep learning neural networks architectures such Multi Layer Perceptrons (MLP) and Convolutional blocks still play a crucial role in nowadays research advancements. From a topological point of view, these architecture may be represented as…

Machine Learning · Computer Science 2025-07-29 Ugo Lomoio , Pierangelo Veltri , Pietro Hiram Guzzi

Kolmogorov-Arnold Networks (KANs), a novel type of neural network, have recently gained popularity and attention due to the ability to substitute multi-layer perceptions (MLPs) in artificial intelligence (AI) with higher accuracy and…

We present a general-purpose method to train Markov chain Monte Carlo kernels, parameterized by deep neural networks, that converge and mix quickly to their target distribution. Our method generalizes Hamiltonian Monte Carlo and is trained…

Machine Learning · Statistics 2018-03-06 Daniel Levy , Matthew D. Hoffman , Jascha Sohl-Dickstein

Exact two-dimensional analytic wave functions for an arbitrary number $N$ of contact-interacting lowest-Landau-level (LLL) spinful fermions are derived with the use of combined numerical and symbolic computational approaches via analysis of…

Quantum Gases · Physics 2021-08-02 Constantine Yannouleas , Uzi Landman

Collective movements are pervasive behaviours among social organisms and have led to the development of many models. However, modelling animal trajectories and social interactions in simple bounded environments remains a challenge.…

Neurons and Cognition · Quantitative Biology 2018-11-28 Leo Cazenille , Nicolas Bredeche , José Halloy

Existing low-light image enhancement methods are difficult to fit the complex nonlinear relationship between normal and low-light images due to uneven illumination and noise effects. The recently proposed Kolmogorov-Arnold networks (KANs)…

Computer Vision and Pattern Recognition · Computer Science 2025-02-07 Aoxiang Ning , Minglong Xue , Jinhong He , Chengyun Song

We present a Monte Carlo wavefunction method for semiclassically modeling spin-$\frac12$ systems in a magnetic field gradient in one dimension. Our model resolves the conflict of determining what classical force an atom should be subjected…

Quantum Physics · Physics 2015-02-25 C. J. Billington , C. J. Watkins , R. P. Anderson , L. D. Turner