activity
20122024
most citedNeural Message Passing for Quantum Chemistry

3.8k citations · 7.6k across the 48 of their papers we have counts for

collaborators
Showing 2018Show all

6 papers · 1 filter

q-bio.QM2018★ 8 cited

Peptide-Spectra Matching from Weak Supervision

Samuel S. Schoenholz, Sean Hackett, Laura Deming +8

As in many other scientific domains, we face a fundamental problem when using machine learning to identify proteins from mass spectrometry data: large ground truth datasets mapping…

stat.ML2018★ 37 cited

Dynamical Isometry and a Mean Field Theory of CNNs: How to Train 10,000-Layer Vanilla Convolutional Neural Networks

Lechao Xiao, Yasaman Bahri, Jascha Sohl-Dickstein +2

In recent years, state-of-the-art methods in computer vision have utilized increasingly deep convolutional neural network architectures (CNNs), with some of the most successful mod…

stat.ML2018★ 72 cited

Dynamical Isometry and a Mean Field Theory of RNNs: Gating Enables Signal Propagation in Recurrent Neural Networks

Minmin Chen, Jeffrey Pennington, Samuel S. Schoenholz

Recurrent neural networks have gained widespread use in modeling sequence data across various domains. While many successful recurrent architectures employ a notion of gating, the…

cond-mat.mtrl-sci2018★ 100 cited

Machine learning determination of atomic dynamics at grain boundaries

Tristan A. Sharp, Spencer L. Thomas, Ekin D. Cubuk +3

In polycrystalline materials, grain boundaries are sites of enhanced atomic motion, but the complexity of the atomic structures within a grain boundary network makes it difficult t…

stat.ML2018★ 87 cited

The Emergence of Spectral Universality in Deep Networks

Jeffrey Pennington, Samuel S. Schoenholz, Surya Ganguli

Recent work has shown that tight concentration of the entire spectrum of singular values of a deep network's input-output Jacobian around one at initialization can speed up learnin…

cs.CV2018★ 42 cited

Adversarial Spheres

Justin Gilmer, Luke Metz, Fartash Faghri +4

State of the art computer vision models have been shown to be vulnerable to small adversarial perturbations of the input. In other words, most images in the data distribution are b…