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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…

化学物理 · 物理学 2026-03-30 Pavel Koptev , Nikita Krainov , Konstantin Malkov , Alexander Tropsha

Recent developments have introduced Kolmogorov-Arnold Networks (KAN), an innovative architectural paradigm capable of replicating conventional deep neural network (DNN) capabilities while utilizing significantly reduced parameter counts…

硬件体系结构 · 计算机科学 2025-09-09 Wei-Hsing Huang , Jianwei Jia , Yuyao Kong , Faaiq Waqar , Tai-Hao Wen , Meng-Fan Chang , Shimeng Yu

This study explores the application of Kolmogorov-Arnold Networks (KANs) in predicting nuclear binding energies, leveraging their ability to decompose complex multi-parameter systems into simpler univariate functions. By utilizing data from…

核理论 · 物理学 2025-02-10 Hao Liu , Jin Lei , Zhongzhou Ren

Quantifying functional connectivity (FC), a vital metric for the diagnosis of various brain disorders, traditionally relies on the use of a pre-defined brain atlas. However, using such atlases can lead to issues regarding selection bias and…

计算机视觉与模式识别 · 计算机科学 2025-09-26 Tyler Ward , Abdullah-Al-Zubaer Imran

The recently proposed Kolmogorov-Arnold network (KAN) is a promising alternative to multi-layer perceptrons (MLPs) for data-driven modeling. While original KAN layers were only capable of representing the addition operator, the…

机器学习 · 计算机科学 2025-07-28 Benjamin C. Koenig , Suyong Kim , Sili Deng

Skin cancer classification is a crucial task in medical image analysis, where precise differentiation between malignant and non-malignant lesions is essential for early diagnosis and treatment. In this study, we explore Sequential and…

计算机视觉与模式识别 · 计算机科学 2025-08-19 Shubhi Agarwal , Amulya Kumar Mahto

Deep learning models trained on extensive Electronic Health Records (EHR) data have achieved high accuracy in diagnosis prediction, offering the potential to assist clinicians in decision-making and treatment planning. However, these models…

人工智能 · 计算机科学 2025-09-30 Xiaoxue Han , Pengfei Hu , Jun-En Ding , Chang Lu , Feng Liu , Yue Ning

Traditional constitutive models rely on hand-crafted parametric forms with limited expressivity and generalizability, while neural network-based models can capture complex material behavior but often lack interpretability. To balance these…

机器学习 · 计算机科学 2025-06-05 Prakash Thakolkaran , Yaqi Guo , Shivam Saini , Mathias Peirlinck , Benjamin Alheit , Siddhant Kumar

This paper claims that machine learning models deployed in high stakes domains such as medicine must be interpretable, shareable, reproducible and accountable. We argue that these principles should form the foundational design criteria for…

机器学习 · 计算机科学 2025-08-25 Ayyüce Begüm Bektaş , Mithat Gönen

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…

数值分析 · 数学 2025-01-22 Zhiwei Gao , George Em Karniadakis

To address the challenge of tractability for optimizing mathematical models in science and engineering, surrogate models are often employed. Recently, a new class of machine learning models named Kolmogorov Arnold Networks (KANs) have been…

最优化与控制 · 数学 2025-03-05 Tanuj Karia , Giacomo Lastrucci , Artur M. Schweidtmann

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…

Multimodal Sentiment Analysis (MSA) faces two critical challenges: the lack of interpretability in the decision logic of multimodal fusion and modality imbalance caused by disparities in inter-modal information density. To address these…

机器学习 · 计算机科学 2025-07-08 Miaosen Luo , Yuncheng Jiang , Sijie Mai

Kolmogorov-Arnold networks (KANs) are a remarkable innovation that consists of learnable activation functions, with the potential to capture more complex relationships from data. Presently, KANs are deployed by replacing multilayer…

机器学习 · 计算机科学 2025-10-23 Subhajit Maity , Killian Hitsman , Xin Li , Aritra Dutta

Segmentation of crop fields is essential for enhancing agricultural productivity, monitoring crop health, and promoting sustainable practices. Deep learning models adopted for this task must ensure accurate and reliable predictions to avoid…

计算机视觉与模式识别 · 计算机科学 2025-05-27 Daniele Rege Cambrin , Eleonora Poeta , Eliana Pastor , Tania Cerquitelli , Elena Baralis , Paolo Garza

The recent boom of large language models (LLMs) has re-ignited the hope that artificial intelligence (AI) systems could aid medical diagnosis. Yet despite dazzling benchmark scores, LLM assistants have yet to deliver measurable improvements…

人工智能 · 计算机科学 2025-07-03 Matthew JY Kang , Wenli Yang , Monica R Roberts , Byeong Ho Kang , Charles B Malpas

As an emerging interpretable technique, Generalized Additive Models (GAMs) adopt neural networks to individually learn non-linear functions for each feature, which are then combined through a linear model for final predictions. Although…

机器学习 · 计算机科学 2024-08-01 Viet Duong , Qiong Wu , Zhengyi Zhou , Hongjue Zhao , Chenxiang Luo , Eric Zavesky , Huaxiu Yao , Huajie Shao

Human Activity Recognition (HAR) plays a critical role in numerous applications, including healthcare monitoring, fitness tracking, and smart environments. Traditional deep learning (DL) approaches, while effective, often require extensive…

信号处理 · 电气工程与系统科学 2025-11-04 Mohammad Alikhani

Diagnosing rare diseases presents a common challenge in clinical practice, necessitating the expertise of specialists for accurate identification. The advent of machine learning offers a promising solution, while the development of such…

Recent advancements in AI applications to healthcare have shown incredible promise in surpassing human performance in diagnosis and disease prognosis. With the increasing complexity of AI models, however, concerns regarding their opacity,…

机器学习 · 计算机科学 2023-08-17 Munib Mesinovic , Peter Watkinson , Tingting Zhu