Questions tagged [graph-neural-network]

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Is there a Graph Neural Network that learns from its neighboring labels (and features)?

I built a heterogeneous graph on a citation graph with a Heterogeneous Graph Convolutional Neural Network in PyTorch and DGL. The graph structure looks like this: (author, writes, paper), (paper, ...
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Text and Word embedding in the same space

I've built a graph this way : ...
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Trying to average node values over local neighborhoods in a graph using a GCN

I'm new to Graph Convolutional Networks (and pytorch in general) so I'm trying to verify that the message passing layer is working as expected before I go on to adding layers to the network. But when ...
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how to find out input data, its structure and how to achieve them on graph machine learning model?

I'm a newbie in graph machine learning and apologize if my question is silly. There is a model suggested in some paper for inductive link prediction, I need to use that model on my custom graph but I ...
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SGD for Graph Neural Networks

I was going through some research papers about Graph Neural Networks; what struck me is that very often SGD is used as optimiser (as in PointGNN, DGCNN and Graphsage). I figured that for "regular&...
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Is there a procedure for determining if a classification problem is ill-defined?

Consider a group of objects denoted $O = \{o_0, o_1, \cdots\}$ where each object is associated with a feature vector $F = \{f_0, f_1, \cdots\, f_{N-1}\}$. For this case, assume the features are ...
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How to cluster components of a graph containing text data?

Suppose that I have a graph that has components like the image below. Graph nodes contain text data (titles) and the edges data is the similarity (percentage). I know that each component represents a ...
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What is purpose of diffusion matrix? What is its role in graph clustering? How do it serve its purpose by equation?

As titled, I am not quite sure what is purpose of Diffusion Matrix, which is support to clustering graph. From this article (https://arxiv.org/pdf/2006.05582v1.pdf) I am might able to compute the ...
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288 views

How to extract node embeddings from PyTorch Geometric GAT model?

Dataset Structure: Temporal directed graph; Nodes have features; Edges don't have features; Nodes are labelled. Using the Elliptic Dataset Task: Classify nodes/ Predict node labels. Data Structure: 2 <...
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85 views

knowledge graph embeddings using GNN vs. shallow embeddings

I want to encode a knowledge graph, but I'm unclear on the difference between using shallow encodings (TransE, RotatE, etc.) vs a GNN such as a GraphSAGE. It seems like the GNN approach would also ...
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Cause of randomness in AUC score for GNN

I have implemented a GraphSAGE model using dgl for link prediction. On average the auc score of the model is ~0.7 but the score varies a lot for different runs. ...
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1 answer
120 views

Captum vs GNNExplainer for explainability in Graph Neural Networks

I'm new to Graph Neural Networks and interested in exploring frameworks that allow the identification of nodes/edges that underlie prediction. I came across : (1) a model architecture (GNNExplainer) ...
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Regression task using graph neural networks

I consider the following scenario: we have a weighted undirected graph where each node has several features. I want to predict a value for each node of the graph that such that a global objective ...
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Is it possible to apply graph neural networks on a sequence to determine a hidden states of its elements (instead of HMM)?

For example, I have a sequence of observations from {$y_1$, ..., $y_{4}$}: $y_1, y_2, y_1, y_3, y_2, y_2, y_2, y_4 $ And the sequence is produced by a hidden states from {$X1$, $X2$, $X3$}. Usually ...
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Normalizing softmax by dividing by its maximum?

Reading this paper, I'm struggling to understand the step with the question mark (page 3). The formula for $\textbf r$ uses $\textbf q_i$ (no tilde), but the numeric values in the following paragraph ...
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What is effect of having more edges on a GCN helps learning?

I am using a Graph2Seq GNN. For my case, I am using GCN as my encoder. For my graph, on the average: I have around 500 nodes in the graph per data point. In the current graph, on average, a node is ...
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GNN Model - Analyzing Training Curve

Introduction. Actually, I am working on a Graph Neural Network (GNN) model to predict some graph-level float values. So, input=graph, output=float predicted value. I trained and evaluated the proposed ...
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How to evaluate Light Graph Convolutional Networks (LightGCN) correctly on sparse binary data?

I implemented the LightGCN at work to recommend k items to users according to the TensorFlow implementation of Microsoft: https://github.com/microsoft/recommenders/blob/main/examples/...
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In Graph neural network - SAGE why do we normalize with l2 norm in after a k-hop iteration?

Hello I am trying to undestand the message propagation algorithm of GraphSAGE(https://arxiv.org/pdf/1706.02216.pdf) In step 7 there is a division with l2 norm (if I understand the notation correctly )....
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What is meant by softly selecting a matrices from a set of matrices?

How is the softmax layer applied to the 1x1 conv layer in order to soflty select the matrix from a set of matrix denoted by A. From my understanding of convolutions, implementing a 1x1 conv layer on a ...
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47 views

Graph Neural Networks for Segmented Images - Which Nodes do I connect?

I'm facing an interesting problem involving medical images. We are set out to test an hypothesis if certain objects in an image affect the diagnosis of a patient. I would love to hear any comments ...
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Model stalls and learning slows down after the first epochs

I have an issue with a model that I'm working on, I cannot show you the model architecture because it's basically confidential research. The model includes Graph convolutional networks and Transformer ...
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How to convert ECG Data to Graphical Data so that it can be used in GNNs?

I am trying to predict arrythmia using GCNN but the problem i am facing is that the data is in tabular format screenshot attached below. Upon reading i found out that there needs to nodes and edges ...
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20 views

Can I use low dimensional node features in graph convolutional networks?

I am trying to understand how GCNs work. For example, the well known GraphSAGE algorithm considers a graph $G$ with node features $x_i$ of dimension $n$. Then it propagates the node features over the ...
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1 answer
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Incorporating structural information in a Transformer?

For a Neural Machine Translation (NMT) task, my input data has relational information. This relation could be modelled using a graphical structure. So one approach could be to use Graph Neural Network ...
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How to perform inductive train/test split for GraphSAGE classification

Let's say I have a network that consists of a single weakly connected component. From various papers I've seen that if you want to use inductive GNNs like GraphSAGE, it is advisable to split your ...
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Why is "Hidden State" at Node in Graph Neural Network Considered "Compressed" Representation?

I am reading article on Graph Neural Network (GNN) and it is mentioned: The memory stores the states of all the nodes, acting as a compressed representation of the node’s past interactions. Why is ...
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How to define a graph in GNN? [closed]

I am new to graph neural network (GNN). Without knowing a graph in advance, how can we possibly form an adjacency matrix? Assume there are 3 nodes (vertices): A, B, & C. There are could be many ...
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Are GNNs/GCNs viable for graphs with no node features, with only the unique node IDs? Are they different from DeepWalk at that point?

I started to dig into GNNs for the first time and I have trouble understanding its advantages over NLP inspired embedding methods like DeepWalk and node2vec. Do GNNs only shine with node features? Or ...
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AI algorithm model that outputs a list of unknown length [closed]

I have a dataset with the following x columns: date time is_weekend is_holiday start_intersection end_intersection The output is a list of intersections, that connect start_intersection with ...
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Node embeddings and densely connected graphs

I have a dataset of users and their interests (represented by categories) and I’m trying to embed the graph which results from connecting users if they have a common interest, so I’ll add an edge for ...
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How train - test split works for Graph Neural Networks

I have recently started studying GNN's. I have covered GCN and GraphSage so far. But I am confused regarding the process when testing occurs. Now suppose in the graph above I am using the nodes as ...
1 vote
1 answer
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How to define similarity between nodes in original graph?

While there has been a lot of talk in how to define the similarity between nodes in the embedding space, but I don't seem to come across any talking about defining the similarity between nodes in the ...
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How to create a graph network (Networkx) from the solution of Ordinary differential equations?

I have a list of Nodes. Suppose, N =["1","2","3","4"] # there can be different number of nodes And I have solved the ...
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2 answers
329 views

Graph Neural Network fails at generalizing on unseen graph topologies

I'm using PytorchGeometric to train a graph convolutional network for regression over nodes problem (the graph models physical phenomena in the network of sensors; the network of sensors is actually ...
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How to construct a graph using Neural Structured Learning framework?

My dataset (both features and label) consists of continuous variables. Dimension of features is (12,). The number of samples are of 7th order of magnitude (about 11 ...
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Applying network diffusion to a graph created with the igraph library in R

I have created a graph using the igraph library. ...
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Validation accuracy does not increase for binary classification using GNN

I am trying to perform graph classification with GINConv model of GNN. I have tried everything from varying dropouts to weight decay (for L2 regularization), learning rate (1e-6 to 1e-3), batch ...
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2 answers
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Optimisation of neural networks

Do neural networks get optimized by trial and error, by data scientists, or is there some way of optimizing values through accurate mathematical equations?
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What are latent representations?

I am reading some research papers about graph convolutional neural networks and I have seen the term "latent representations" used a lot. For instance, "the model was able to learn ...
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1 answer
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Understanding Node Embeddings

I have only just started to look into graph neural networks and I am a little confused on the node embedding process. Here is my understanding, please let me know if i misunderstood: Given unlabelled ...
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Spectral Networks and Deep Locally Connected Networks on Graphs

I’m reading the paper Spectral Networks and Deep Locally Connected Networks on Graphs and I’m having a hard time understanding the notation shown in the picture below (the scribbles are mine): ...
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Dying gradient issue in Graph Neural Networks

I am using Pytorch-Geometric library to implement a Graph Convolutional Layer(GCN) followed by few linear layers for a prediction task. But after training on graphs with np. of nodes being 10K and no. ...
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What is a good approach for embedding both textual and spatial features for document classification?

I am working on a document classifier that can perform the classification based on the document structure as well. My plan is to get the word embedding as well as the word coordinates and somehow ...
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(Graph Convolutional Network (GCN) based recommender system maintenance issue [closed]

I have built an item-item recommender model using (Graph Convolutional Network (GCN) for an E-commerce website. Could you please help me with the maintenance of the model. How often should I retrain ...
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Unstable Training when combining Graph Neural Networks for Graph Classification Tasks

I have been combining Graph Convolutional Layers and Graph Pooling layers to define a neural network architecture for Graph Classification tasks. Specifically, using the Graph Convolutional Layer ...
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Machine learning on graphs

I'm looking for some method/model to help me with my current problem: I have a geometry, consisting of points, and eges. For each point I take information about itself and its neighbours. For now I ...
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Force Matching in Coarse Grained Molecular Dynamics with Jax - Forces do not match when neglecting energy loss

I am currently exploring force matching approaches for molecular dynamic simulations. As I am still in an exploration state, I'd tried investigated Force Matching Neural Network Colab Notebook ...
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1 answer
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From Labels to Graph: what machine learning approaches to use?

Imagine a world where we have places (e.g., cities, restaurants, national parks, etc.) but no roads connecting them. Our objective is to build roads connecting any two places while going through some ...
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1 answer
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What are the differences between Knowledge Graph Embeddings (KGE) and Graph Neural Network (GNN)

From page 3 of this paper Knowledge Graph Embeddings and Explainable AI, they mentioned as below: Note that knowledge graph embeddings are different from Graph Neural Networks (GNNs). KG embedding ...
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