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Effective molecular representation learning is crucial for advancing molecular property prediction and drug design. Mainstream molecular representation learning approaches are based on Graph Neural Networks (GNNs). However, these approaches…

机器学习 · 计算机科学 2024-11-12 Ruifeng Li , Mingqian Li , Wei Liu , Hongyang Chen

Photonic computing promises energy-efficient acceleration for optimization and learning, yet discrete combinatorial search and continuous function approximation have largely required distinct devices and control stacks. Here we unify…

光学 · 物理学 2025-09-03 Nikita Stroev , Natalia G. Berloff

Fully analogue neural computation requires hardware that can implement both linear and nonlinear transformations without digital assistance. While analogue in-memory computing efficiently realizes matrix-vector multiplication, the absence…

新兴技术 · 计算机科学 2025-12-29 Songyuan Li , Teng Wang , Jinrong Tang , Ruiqi Liu , Haoyu Li , Yuyao Lu , Feng Xu , Bin Gao , Can Xie , Xiangwei Zhu

We introduce KAN-GCN, a fast and accurate emulator for ice sheet modeling that places a Kolmogorov-Arnold Network (KAN) as a feature-wise calibrator before graph convolution networks (GCNs). The KAN front end applies learnable…

机器学习 · 计算机科学 2025-10-30 Zesheng Liu , YoungHyun Koo , Maryam Rahnemoonfar

Interpreting complex datasets remains a major challenge for scientists, particularly due to high dimensionality and collinearity among variables. We introduce a novel application of Kolmogorov-Arnold Networks (KANs) to enhance…

机器学习 · 计算机科学 2025-12-19 Luis A. De la Fuente , Hernan A. Moreno , Laura V. Alvarez , Hoshin V. Gupta

Hybrid constitutive modeling integrates two complementary approaches for describing and predicting a material's mechanical behavior: purely data-driven black-box methods and physically constrained, theory-based models. While black-box…

计算物理 · 物理学 2025-02-28 Kian P. Abdolazizi , Roland C. Aydin , Christian J. Cyron , Kevin Linka

Kolmogorov-Arnold Networks (KANs) have gained attention for their potential to outperform Multi-Layer Perceptrons (MLPs) in terms of parameter efficiency and interpretability. Unlike traditional MLPs, KANs use learnable non-linear…

硬件体系结构 · 计算机科学 2026-03-19 Sohaib Errabii , Olivier Sentieys , Marcello Traiola

Medical image segmentation is essential for applications like robotic surgeries, disease diagnosis, and treatment planning. Recently, various deep-learning models have been proposed to enhance medical image segmentation. One promising…

计算机视觉与模式识别 · 计算机科学 2025-05-23 Akansh Agrawal , Akshan Agrawal , Shashwat Gupta , Priyanka Bagade

In this paper, we compare the performance of Kolmogorov-Arnold Networks (KAN) and Multi-Layer Perceptron (MLP) networks on irregular or noisy functions. We control the number of parameters and the size of the training samples to ensure a…

机器学习 · 计算机科学 2024-08-16 Chen Zeng , Jiahui Wang , Haoran Shen , Qiao Wang

High-dimensional option pricing and hedging present significant challenges in quantitative finance, where traditional PDE-based methods struggle with the curse of dimensionality. The BSDE framework offers a computationally efficient…

计算金融 · 定量金融 2026-01-19 Rushikesh Handal , Masanori Hirano

Machine learning interatomic potentials (MLIPs) have become powerful tools to extend molecular simulations beyond the limits of quantum methods, offering near-quantum accuracy at much lower computational cost. Yet, developing reliable MLIPs…

材料科学 · 物理学 2025-12-30 Adam Lahouari , Jutta Rogal , Mark E. Tuckerman

Catastrophic forgetting is a longstanding challenge in continual learning, where models lose knowledge from earlier tasks when learning new ones. While various mitigation strategies have been proposed for Multi-Layer Perceptrons (MLPs),…

机器学习 · 计算机科学 2025-11-18 Mohammad Marufur Rahman , Guanchu Wang , Kaixiong Zhou , Minghan Chen , Fan Yang

Kolmogorov-Arnold Networks (KANs) have emerged as a promising alternative to traditional Multi-Layer Perceptrons (MLPs), offering enhanced interpretability and a solid mathematical foundation. However, their parameter efficiency remains a…

机器学习 · 计算机科学 2025-10-09 Di Zhang

Massive number of applications involve data with underlying relationships embedded in non-Euclidean space. Graph neural networks (GNNs) are utilized to extract features by capturing the dependencies within graphs. Despite groundbreaking…

机器学习 · 计算机科学 2024-06-21 Fan Zhang , Xin Zhang

Kolmogorov-Arnold networks (KANs) represent data features by learning the activation functions and demonstrate superior accuracy with fewer parameters, FLOPs, GPU memory usage (Memory), shorter training time (TraT), and testing time (TesT)…

计算机视觉与模式识别 · 计算机科学 2026-01-19 Yanheng Wang , Xiaohan Yu , Yongsheng Gao , Jianjun Sha , Jian Wang , Shiyong Yan , Kai Qin , Yonggang Zhang , Lianru Gao

The curse of dimensionality poses a significant challenge to modern multilayer perceptron-based architectures, often causing performance stagnation and scalability issues. Addressing this limitation typically requires vast amounts of data.…

机器学习 · 计算机科学 2024-11-19 Divesh Basina , Joseph Raj Vishal , Aarya Choudhary , Bharatesh Chakravarthi

Expert systems often operate in domains characterized by class-imbalanced tabular data, where detecting rare but critical instances is essential for safety and reliability. While conventional approaches, such as cost-sensitive learning,…

机器学习 · 计算机科学 2025-06-23 Md Abrar Jahin , Adiba Abid , M. F. Mridha

Recently, TabPFN has gained attention as a foundation model for tabular data. However, it struggles to integrate heterogeneous modalities such as images and text, which are common in domains like healthcare and marketing, thereby limiting…

机器学习 · 计算机科学 2026-04-10 Wall Kim , Chaeyoung Song , Hanul Kim

Graph Neural Networks (GNNs) have already been widely applied in various graph mining tasks. However, they suffer from the shallow architecture issue, which is the key impediment that hinders the model performance improvement. Although…

机器学习 · 计算机科学 2021-08-03 Wentao Zhang , Zeang Sheng , Yuezihan Jiang , Yikuan Xia , Jun Gao , Zhi Yang , Bin Cui

Kolmogorov-Arnold Networks (KAN) is a groundbreaking model recently proposed by the MIT team, representing a revolutionary approach with the potential to be a game-changer in the field. This innovative concept has rapidly garnered worldwide…

机器学习 · 计算机科学 2024-06-05 Kunpeng Xu , Lifei Chen , Shengrui Wang