Questions tagged [graph-neural-network]

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In the node2vec model derivation, what does it mean for node representations to be "Symmetric in Feature Space"?

The main derivation of the probabilistic model in Node2Vec goes as follows (paper available on ArXiv: https://arxiv.org/pdf/1607.00653.pdf): We formulate feature learning in networks as a maximum ...
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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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26 views

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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Graph convolution with global information

Is it possible to add global information in addition to node information using Spektral or Pythorch? For instance, information of nodes such as relative position and atomic mass give a molecular ...
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29 views

Multivariate time series data forecasting using Graph Neural networks

I am using the article "Connecting the Dots: Multivariate Time Series Forecasting with Graph Neural Networks" code "https://github.com/nnzhan/MTGNN" to train my data sets having ...
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10 views

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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Memory problem when running Tensorflow with Flask and Docker

I've trained a Tensorflow object detection model and want to deploy it with Flask. My problem is that with every new request the memory used by docker container rises by ~100mb, which is not freed ...
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18 views

What level prediction (node- or graph-level) is appropriate for my graph network problem?

I have experience in neural networks and just started exploring if graph NN is appropriate for my problem. So, I have an undirected graph with nodes separated within a specified distance, say d, being ...
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1answer
88 views

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 ...
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10 views

Relation between random walk, DeepWalk and Neighbour Aggregation in GNN?

What is the relation between random walk, DeepWalk and Neighbour Aggregation in GNN? Please provide compare and contrast for all these 3 pairs. Thank you.
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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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14 views

Can transformers be used to solve for a number of independent polynomial inequalities or polynomial equations?

I'm interested in solving constraint satisfaction problems involving polynomial functions of real variables using transformers. The papers available only deal with boolean SATs in CNF format e.g., ...
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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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Recommendation of any package for implementing Graph neural network?

I started to read about GNN (graph neural network) since last week from literatures but did not find any good tutorial on how and where to implement. I see many packages like pytorch, tensorflow, ...
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2answers
128 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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42 views

Visualization of SeqSelfAttention layer from Keras

Can someone help me to find, explain and visualize the SeqSelfAttention layer from Keras. I found a lot of flowchart that use the figures from the "attention is all you need paper" where ...
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26 views

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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33 views

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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Normalization in Neural Networks Regression in MATLAB

I have 20 samples for a regression fitting purpose in Neural Network Toolbox (nnstart, nftool) in MATLAB . I have 3 inputs of 20 samples each (3 X 20 ) and 1 output (3 X 20, as the output number is ...
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24 views

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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1answer
183 views

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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1answer
34 views

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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15 views

How to classify hierarchical feature?

Assume that I have this data set (a taxonomy of parent-child features) ...
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2answers
18 views

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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1answer
31 views

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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49 views

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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20 views

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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1answer
75 views

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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257 views

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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1answer
63 views

Knowledge Graph as an input to a neural network

I want to create a neural network that takes as an input a knolwedge subgraph(different types of nodes and different types of edges) to predict some properties. For instance an input in the graph can ...
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1answer
89 views

Isn't graph embedding a step back from non-euclidean space?

As I understand, we use graph embedding to make a euclidean representation of non-euclidean structure - graph. Does it mean that conceptually we just take a step back to, may be, more complex, but ...
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1answer
128 views

How does graph classification work with graph neural networks

I am reading the paper The Graph Neural Network Model by Scarselli et al. I understand how node classification works. I am having trouble understanding how graph classification works however. In ...
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432 views

What is difference between transductive and inductive in GNN?

It seems in GNN(graph neural network), in transductive situation, we input the whole graph and we mask the label of valid data and predict the label for the valid data. But is seems in inductive ...