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Density functional theory (DFT), the most widely adopted method in modern computational chemistry, fails to describe accurately the electronic structure of strongly correlated systems. Here we show that DFT can be formally and practically…

化学物理 · 物理学 2022-04-18 Daniel Gibney , Jan-Niklas Boyn , David A. Mazziotti

Extracting causal connections can advance interpretable AI and machine learning. Granger causality (GC) is a robust statistical method for estimating directed influences (DC) between signals. While GC has been widely applied to analysing…

神经元与认知 · 定量生物学 2024-08-06 Abdoreza Asadpour , KongFatt Wong-Lin

We study distributed computation in synchronous dynamic networks where an omniscient adversary controls the unidirectional communication links. Its behavior is modeled as a sequence of directed graphs representing the active (i.e. timely)…

分布式、并行与集群计算 · 计算机科学 2015-03-20 Martin Biely , Peter Robinson , Ulrich Schmid

In natural language processing (NLP), deep neural networks (DNNs) could model complex interactions between context and have achieved impressive results on a range of NLP tasks. Prior works on feature interaction attribution mainly focus on…

计算与语言 · 计算机科学 2023-10-27 Xiaolei Lu , Jianghong Ma , Haode Zhang

Connections between nodes of fully connected neural networks are usually represented by weight matrices. In this article, functional transfer matrices are introduced as alternatives to the weight matrices: Instead of using real weights, a…

机器学习 · 计算机科学 2018-09-13 Cheng-Hao Cai , Yanyan Xu , Dengfeng Ke , Kaile Su , Jing Sun

To understand the biological characteristics of neurological disorders with functional connectivity (FC), recent studies have widely utilized deep learning-based models to identify the disease and conducted post-hoc analyses via explainable…

机器学习 · 计算机科学 2023-10-09 Eunsong Kang , Da-woon Heo , Jiwon Lee , Heung-Il Suk

Network embedding is aimed at mapping nodes in a network into low-dimensional vector representations. Graph Neural Networks (GNNs) have received widespread attention and lead to state-of-the-art performance in learning node representations.…

社会与信息网络 · 计算机科学 2023-03-17 Junjie Huang , Huawei Shen , Liang Hou , Xueqi Cheng

This paper is motivated by studies in neuroscience experiments to understand interactions between nodes in a brain network using different types of data modalities that capture different distinct facets of brain activity. To assess…

There is a recent trend to leverage the power of graph neural networks (GNNs) for brain-network based psychiatric diagnosis, which,in turn, also motivates an urgent need for psychiatrists to fully understand the decision behavior of the…

机器学习 · 统计学 2024-01-30 Kaizhong Zheng , Shujian Yu , Badong Chen

Transfer learning in reinforcement learning (RL) seeks to accelerate learning in new tasks by leveraging knowledge from related sources. Existing neurosymbolic transfer methods, however, typically rely on manually specified task automata,…

人工智能 · 计算机科学 2026-05-08 Mahyar Alinejad , Yue Wang , Amrit Singh Bedi , George Atia

A challenging problem when studying a dynamical system is to find the interdependencies among its individual components. Several algorithms have been proposed to detect directed dynamical influences between time series. Two of the most used…

数据分析、统计与概率 · 物理学 2015-09-09 Alessandro Montalto , Sebastiano Stramaglia , Luca Faes , Giovanni Tessitore , Roberto Prevete , Daniele Marinazzo

In this work, we developed new mathematical methods for analyzing network topology and applied these methods to the analysis of brain networks. More specifically, we rigorously developed quantitative methods based on complexes constructed…

神经元与认知 · 定量生物学 2026-04-28 Heitor Baldo

This paper proposes a deep convolutional neural network model for ordinal regression by considering a family of probabilistic ordinal link functions in the output layer. The link functions are those used for cumulative link models, which…

计算机视觉与模式识别 · 计算机科学 2019-10-11 Víctor-Manuel Vargas , Pedro-Antonio Gutiérrez , César Hervás-Martínez

We present a unified representation of the most popular neural network activation functions. Adopting Mittag-Leffler functions of fractional calculus, we propose a flexible and compact functional form that is able to interpolate between…

机器学习 · 计算机科学 2024-10-10 Mohammad Mostafanejad

It is frequently hypothesized that cortical networks operate close to a critical point. Advantages of criticality include rich dynamics well-suited for computation and critical slowing down, which may offer a mechanism for dynamic memory.…

无序系统与神经网络 · 物理学 2024-01-30 Michael Dick , Alexander van Meegen , Moritz Helias

In deep learning, dense layer connectivity has become a key design principle in deep neural networks (DNNs), enabling efficient information flow and strong performance across a range of applications. In this work, we model densely connected…

机器学习 · 计算机科学 2025-10-03 Jinshu Huang , Haibin Su , Xue-Cheng Tai , Chunlin Wu

We all depend on mobility, and vehicular transportation affects the daily lives of most of us. Thus, the ability to forecast the state of traffic in a road network is an important functionality and a challenging task. Traffic data is often…

机器学习 · 计算机科学 2022-09-07 Zezhi Shao , Zhao Zhang , Wei Wei , Fei Wang , Yongjun Xu , Xin Cao , Christian S. Jensen

Despite their success and widespread adoption, the opaque nature of deep neural networks (DNNs) continues to hinder trust, especially in critical applications. Current interpretability solutions often yield inconsistent or oversimplified…

机器学习 · 计算机科学 2024-10-10 Alec F. Diallo , Vaishak Belle , Paul Patras

Despite the enormous success of graph neural networks (GNNs), most existing GNNs can only be applicable to undirected graphs where relationships among connected nodes are two-way symmetric (i.e., information can be passed back and forth).…

机器学习 · 计算机科学 2021-10-15 Zhuo Tan , Bin Liu , Guosheng Yin

A measure is derived to quantify directed information transfer between pairs of vertices in a weighted network, over paths of a specified maximal length. Our approach employs a general, probabilistic model of network traffic, from which the…

无序系统与神经网络 · 物理学 2013-11-05 Christopher R. S. Banerji , Simone Severini , Andrew E. Teschendorff