activity
20102025
most citedNeural Message Passing for Quantum Chemistry

3.8k citations · 6.1k across the 26 of their papers we have counts for

collaborators

31 papers

cs.LG2025★ 2 cited

Accelerating Neural Network Training: An Analysis of the AlgoPerf Competition

Priya Kasimbeg, Frank Schneider, Runa Eschenhagen +11

The goal of the AlgoPerf: Training Algorithms competition is to evaluate practical speed-ups in neural network training achieved solely by improving the underlying training algorit…

cs.LG2023★ 6 cited

Benchmarking Neural Network Training Algorithms

George E. Dahl, Frank Schneider, Zachary Nado +22

Training algorithms, broadly construed, are an essential part of every deep learning pipeline. Training algorithm improvements that speed up training across a wide variety of workl…

cs.LG2023★ 2 cited

Unifying Grokking and Double Descent

Xander Davies, Lauro Langosco, David Krueger

A principled understanding of generalization in deep learning may require unifying disparate observations under a single conceptual framework. Previous work has studied \emph{grokk…

cs.LG2022★ 4 cited

Leave Graphs Alone: Addressing Over-Squashing without Rewiring

Domenico Tortorella, Alessio Micheli

Recent works have investigated the role of graph bottlenecks in preventing long-range information propagation in message-passing graph neural networks, causing the so-called `over-…

cs.LG2022★ 2 cited

Pre-training helps Bayesian optimization too

Zi Wang, George E. Dahl, Kevin Swersky +6

Bayesian optimization (BO) has become a popular strategy for global optimization of many expensive real-world functions. Contrary to a common belief that BO is suited to optimizing…

cs.LG2022★ 2 cited

Adaptive Gradient Methods at the Edge of Stability

Jeremy M. Cohen, Behrooz Ghorbani, Shankar Krishnan +8

Very little is known about the training dynamics of adaptive gradient methods like Adam in deep learning. In this paper, we shed light on the behavior of these algorithms in the fu…