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Alán Aspuru-Guzik

ELECTRA: A Symmetry-breaking Cartesian Network for Charge Density Prediction with Floating Orbitals

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Mar 11, 2025
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Feynman-Kac Correctors in Diffusion: Annealing, Guidance, and Product of Experts

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Mar 04, 2025
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One Set to Rule Them All: How to Obtain General Chemical Conditions via Bayesian Optimization over Curried Functions

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Feb 26, 2025
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AnyPlace: Learning Generalized Object Placement for Robot Manipulation

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Feb 06, 2025
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Generative quantum combinatorial optimization by means of a novel conditional generative quantum eigensolver

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Jan 28, 2025
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Stiefel Flow Matching for Moment-Constrained Structure Elucidation

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Dec 17, 2024
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Agents for self-driving laboratories applied to quantum computing

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Dec 10, 2024
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Quantum Deep Equilibrium Models

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Oct 31, 2024
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Symmetry From Scratch: Group Equivariance as a Supervised Learning Task

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Oct 05, 2024
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How to do impactful research in artificial intelligence for chemistry and materials science

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Sep 16, 2024
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