Graph Neural Networks (GNN)

9 Posts

Overall architecture of GEM.
Graph Neural Networks (GNN)

What a Molecule’s Structure Reveals: Baidu Creates AI to Classify Molecular Properties

The authors trained a modified GNN on a dataset of 18 million molecules to find molecular properties.
2 min read
Animation showing optimizing a physical design
Graph Neural Networks (GNN)

Airfoils Automatically Optimized

Engineers who design aircraft, aqueducts, and other objects that interact with air and water use numerical simulations to test potential shapes, but they rely on trial and error to improve their designs. A neural simulator can optimize the shape itself.
2 min read
Overview of Graph Hyper Network (GHN-2)
Graph Neural Networks (GNN)

Who Needs Training?

When you’re training a neural network, it takes a lot of computation to optimize its weights using an iterative algorithm like stochastic gradient descent. Wouldn’t it be great to compute the best parameter values in one pass? A new method takes a substantial step in that direction.
3 min read
Diagram with automated decision systems
Graph Neural Networks (GNN)

Roadblocks to Regulation

Most U.S. state agencies use AI without limits or oversight. An investigative report probed reasons why efforts to rein them in have made little headway. Since 2018, nearly every proposed bill aimed at studying or controlling how state agencies use automated decision systems.
2 min read
Animated illustration shows the model architecture of a graph neural network.
Graph Neural Networks (GNN)

A Deeper Look at Graphs: Graph Neural Networks Work Better With More Layers

New research shows that drastically increasing the number of layers in a graph neural networks improves its performance on large datasets.
2 min read
Data related to DeepCE, a system designed to predict how particular drugs will influence the amounts of RNA
Graph Neural Networks (GNN)

Old Drugs for New Ailments

Many medical drugs work by modulating the body’s production of specific proteins. Recent research aimed to predict this activity, enabling researchers to identify drugs that might counteract the effects of Covid-19.
2 min read
Information related to machine learning
Graph Neural Networks (GNN)

(Science) Community Outreach

Are your scientist friends intimidated by machine learning? They might be inspired by a primer from one of the world’s premier tech titans. Former Google CEO Eric Schmidt and Cornell PhD candidate Maithra Raghu school scientists in machine learning in a sprawling overview.
1 min read
Data related to model that predicts molecules that are structurally unrelated to known antibiotics
Graph Neural Networks (GNN)

Deep Learning Finds New Antibiotic

Chemists typically develop new antibiotics by testing close chemical relatives of tried-and-true compounds like penicillin. That approach becomes less effective, though, as dangerous bacteria evolve resistance to those very chemical structures. Instead, researchers enlisted neural networks.
2 min read
Information related to a model that predicts a chemical's smell
Graph Neural Networks (GNN)

Nose Job

Predicting a molecule’s aroma is hard because slight changes in structure lead to huge shifts in perception. Good thing deep learning is developing a sense of smell.
2 min read

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