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Miriam Mathea

dblp:239/3998 · DBLP profile ↗
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1ranked-venue papers
0as first author
1since 2021 · last 2023
—ORCID · none

Domains — the database's venue-derived domains; a paper can count in several

Artificial intelligence and machine learning · 1 · 1 since 2021

Expertise — from the expertise taxonomy: the topics of the expert's papers under the CCF categories. A weight counts papers with recency: 1 for a paper about the topic, 0.3 when the topic is its context, halved every five years.

Theoretical computer science
1 paper
Mathematical optimization · 77% Distributed computing theory · 23%
Artificial intelligence
1 paper
Graph learning · 100%

Topics — the 3 heaviest of 3, each with the papers that count most for it

TopicWeightPapersLastEvidence papers
Machine learning › Graph learning
graph neural network
0.712023
Optimizing over trained GNNs via symmetry breaking · NeurIPS 2023
Mathematical optimization › integer programming
mixed-integer optimization
0.712023
Optimizing over trained GNNs via symmetry breaking · NeurIPS 2023
Distributed computing theory
symmetry breaking
0.212023
Optimizing over trained GNNs via symmetry breaking · NeurIPS 2023

Methods — techniques the papers use, named apart from their topics

graph indexing · 1.3symmetry-breaking constraints · 0.7symmetry breaking constraints · 0.7mixed-integer programming · 0.7mixed integer programming · 0.7
YearPublicationVenuePosition
2023 Optimizing over trained GNNs via symmetry breaking
abstract
Optimization over trained machine learning models has applications including: verification, minimizing neural acquisition functions, and integrating a trained surrogate into a larger decision-making problem. This paper formulates and solves optimization problems constrained by trained graph neural networks (GNNs). To circumvent the symmetry issue caused by graph isomorphism, we propose two types of symmetry-breaking constraints: one indexing a node 0 and one indexing the remaining nodes by lexicographically ordering their neighbor sets. To guarantee that adding these constraints will not remove all symmetric solutions, we construct a graph indexing algorithm and prove that the resulting graph indexing satisfies the proposed symmetry-breaking constraints. For the classical GNN architectures considered in this paper, optimizing over a GNN with a fixed graph is equivalent to optimizing over a dense neural network. Thus, we study the case where the input graph is not fixed, implying that each edge is a decision variable, and develop two mixed-integer optimization formulations. To test our symmetry-breaking strategies and optimization formulations, we consider an application in molecular design.
Shiqiang Zhang, Juan S. Campos, Christian Feldmann, David Walz, Frederik Sandfort, Miriam Mathea, Calvin Tsay, Ruth Misener
NeurIPS6