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20022026
most citedAdvanced capabilities for materials modelling with Quantum ESPRESSO

7.7k citations

Showing 2021 · cs.LGShow all

29 papers · 2 filters

cs.LG20211 cited

Bayesian Optimization of Function Networks

Raul Astudillo, Peter I. Frazier

We consider Bayesian optimization of the output of a network of functions, where each function takes as input the output of its parent nodes, and where the network takes significan…

cs.LG202121 cited

BGL: GPU-Efficient GNN Training by Optimizing Graph Data I/O and Preprocessing

Tianfeng Liu, Yangrui Chen, Dan Li +7

Graph neural networks (GNNs) have extended the success of deep neural networks (DNNs) to non-Euclidean graph data, achieving ground-breaking performance on various tasks such as no…

cs.LG20211 cited

Tree in Tree: from Decision Trees to Decision Graphs

Bingzhao Zhu, Mahsa Shoaran

Decision trees have been widely used as classifiers in many machine learning applications thanks to their lightweight and interpretable decision process. This paper introduces Tree…

cs.LG2021

Approximate Decomposable Submodular Function Minimization for Cardinality-Based Components

Nate Veldt, Austin R. Benson, Jon Kleinberg

Minimizing a sum of simple submodular functions of limited support is a special case of general submodular function minimization that has seen numerous applications in machine lear…

cs.LG202159 cited

Large Scale Learning on Non-Homophilous Graphs: New Benchmarks and Strong Simple Methods

Derek Lim, Felix Hohne, Xiuyu Li +4

Many widely used datasets for graph machine learning tasks have generally been homophilous, where nodes with similar labels connect to each other. Recently, new Graph Neural Networ…

cs.LG2021

Residual Overfit Method of Exploration

James McInerney, Nathan Kallus

Exploration is a crucial aspect of bandit and reinforcement learning algorithms. The uncertainty quantification necessary for exploration often comes from either closed-form expres…