5 papers
Conservative quantum offline model-based optimization
Kristian Sotirov, Annie E. Paine, Savvas Varsamopoulos +2
Offline model-based optimization (MBO) refers to the task of optimizing a black-box objective function using only a fixed set of prior input-output data, without any active experim…
Inductive Graph Representation Learning with Quantum Graph Neural Networks
Arthur M. Faria, Ignacio F. Graña, Savvas Varsamopoulos
Quantum Graph Neural Networks (QGNNs) offer a promising approach to combining quantum computing with graph-structured data processing. While classical Graph Neural Networks (GNNs)…
Experimental differentiation and extremization with analog quantum circuits
Evan Philip, Julius de Hond, Vytautas Abramavicius +8
Solving and optimizing differential equations (DEs) is ubiquitous in both engineering and fundamental science. The promise of quantum architectures to accelerate scientific computi…
Quantum Graph Attention Networks: Trainable Quantum Encoders for Inductive Graph Learning
Arthur M. Faria, Mehdi Djellabi, Igor O. Sokolov +1
We introduce Quantum Graph Attention Networks (QGATs) as trainable quantum encoders for inductive learning on graphs, extending the Quantum Graph Neural Networks (QGNN) framework.…
Materials Discovery With Quantum-Enhanced Machine Learning Algorithms
Ignacio F. Graña, Savvas Varsamopoulos, Tatsuhito Ando +2
Materials discovery is a computationally intensive process that requires exploring vast chemical spaces to identify promising candidates with desirable properties. In this work, we…