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Designing effective neural networks requires tuning architectural elements. This study integrates fractional calculus into neural networks by introducing fractional order derivatives (FDO) as tunable parameters in activation functions,…

Machine Learning · Computer Science 2025-01-13 Zahra Alijani , Vojtech Molek

This paper introduces an active learning framework for manifold Gaussian Process (GP) regression, combining manifold learning with strategic data selection to improve accuracy in high-dimensional spaces. Our method jointly optimizes a…

Machine Learning · Statistics 2026-05-12 Yuanxing Cheng , Lulu Kang , Yiwei Wang , Chun Liu

The Generative Flow Network is a probabilistic framework where an agent learns a stochastic policy for object generation, such that the probability of generating an object is proportional to a given reward function. Its effectiveness has…

Machine Learning · Computer Science 2022-10-10 Ling Pan , Dinghuai Zhang , Aaron Courville , Longbo Huang , Yoshua Bengio

A molecule's geometry, also known as conformation, is one of a molecule's most important properties, determining the reactions it participates in, the bonds it forms, and the interactions it has with other molecules. Conventional…

Machine Learning · Computer Science 2020-01-01 Elman Mansimov , Omar Mahmood , Seokho Kang , Kyunghyun Cho

Assuming frictionless trading, classical stochastic portfolio theory (SPT) provides relative arbitrage strategies. However, the costs associated with real-world execution are state-dependent, volatile, and under increasing stress during…

Portfolio Management · Quantitative Finance 2025-07-15 Nader Karimi , Erfan Salavati

Graph generation is a fundamental task with broad applications, such as drug discovery. Recently, discrete flow matching-based graph generation, \aka, graph flow model (GFM), has emerged due to its superior performance and flexible…

Machine Learning · Computer Science 2026-03-12 Baoheng Zhu , Deyu Bo , Delvin Ce Zhang , Xiao Wang

We introduce Feature-Product networks (FP-nets) as a novel deep-network architecture based on a new building block inspired by principles of biological vision. For each input feature map, a so-called FP-block learns two different filters,…

Computer Vision and Pattern Recognition · Computer Science 2020-08-19 Philipp Grüning , Thomas Martinetz , Erhardt Barth

Generating functions, which are widely used in combinatorics and probability theory, encode function values into the coefficients of a polynomial. In this paper, we explore their use as a tractable probabilistic model, and propose…

Artificial Intelligence · Computer Science 2021-06-15 Honghua Zhang , Brendan Juba , Guy Van den Broeck

Understanding why neural networks make certain decisions is pivotal for their use in safety-critical applications. Feature-Guided Analysis (FGA) extracts slices of neural networks relevant to their tasks. Existing feature-guided approaches…

Machine Learning · Computer Science 2025-11-04 Federico Formica , Stefano Gregis , Aurora Francesca Zanenga , Andrea Rota , Mark Lawford , Claudio Menghi

Managing evolving graph data presents substantial challenges in storage and privacy, and training graph neural networks (GNNs) on such data often leads to catastrophic forgetting, impairing performance on earlier tasks. Despite existing…

Machine Learning · Computer Science 2025-05-29 Yinlin Zhu , Miao Hu , Di Wu

Graph neural networks (GNNs) are widely applied in graph data modeling. However, existing GNNs are often trained in a task-driven manner that fails to fully capture the intrinsic nature of the graph structure, resulting in sub-optimal node…

Machine Learning · Computer Science 2024-07-17 Zhenhua Huang , Kunhao Li , Shaojie Wang , Zhaohong Jia , Wentao Zhu , Sharad Mehrotra

Neural-net-induced Gaussian process (NNGP) regression inherits both the high expressivity of deep neural networks (deep NNs) as well as the uncertainty quantification property of Gaussian processes (GPs). We generalize the current NNGP to…

Machine Learning · Computer Science 2019-03-27 Guofei Pang , Liu Yang , George Em Karniadakis

We provide a simulation algorithm to simulate from a (multivariate) characteristic function, which is only accessible in a black-box format. The method is based on a generative neural network, whose loss function exploits a specific…

Machine Learning · Statistics 2024-09-17 Florian Brück

Federated Graph Learning (FGL) is a distributed machine learning paradigm that enables collaborative training on large-scale subgraphs across multiple local systems. Existing FGL studies fall into two categories: (i) FGL Optimization, which…

Machine Learning · Computer Science 2024-01-23 Xunkai Li , Zhengyu Wu , Wentao Zhang , Yinlin Zhu , Rong-Hua Li , Guoren Wang

Generative Flow Networks (GFlowNets) have been introduced as a method to sample a diverse set of candidates in an active learning context, with a training objective that makes them approximately sample in proportion to a given reward…

Machine Learning · Computer Science 2026-01-27 Yoshua Bengio , Salem Lahlou , Tristan Deleu , Edward J. Hu , Mo Tiwari , Emmanuel Bengio

With the improvement of computer performance and the development of GPU-accelerated technology, trading with machine learning algorithms has attracted the attention of many researchers and practitioners. In this research, we propose a novel…

Portfolio Management · Quantitative Finance 2021-03-23 Huanming Zhang , Zhengyong Jiang , Jionglong Su

The layered structure of deep neural networks hinders the use of numerous analysis tools and thus the development of its interpretability. Inspired by the success of functional brain networks, we propose a novel framework for…

Machine Learning · Computer Science 2022-05-25 Ben Zhang , Zhetong Dong , Junsong Zhang , Hongwei Lin

In recent years, we have witnessed a surge of Graph Neural Networks (GNNs), most of which can learn powerful representations in an end-to-end fashion with great success in many real-world applications. They have resemblance to Probabilistic…

Machine Learning · Computer Science 2023-08-03 Zhen Zhang , Mohammed Haroon Dupty , Fan Wu , Javen Qinfeng Shi , Wee Sun Lee

We train deep generative models on datasets of reflexive polytopes. This enables us to compare how well the models have picked up on various global properties of generated samples. Our datasets are complete in the sense that every single…

Machine Learning · Computer Science 2021-05-31 Bernt Ivar Utstøl Nødland

A long-standing goal in deep learning has been to characterize the learning behavior of black-box models in a more interpretable manner. For graph neural networks (GNNs), considerable advances have been made in formalizing what functions…

Machine Learning · Computer Science 2024-06-19 Chenxiao Yang , Qitian Wu , David Wipf , Ruoyu Sun , Junchi Yan
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