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09/13/2023
Deep Quantum Graph Dreaming: Deciphering Neural Network Insights into Quantum Experiments
Despite their promise to facilitate new scientific discoveries, the opaq...
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02/07/2023
Recent advances in the Self-Referencing Embedding Strings (SELFIES) library
String-based molecular representations play a crucial role in cheminform...
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08/07/2022
Artificial Intelligence and Machine Learning for Quantum Technologies
In recent years, the dramatic progress in machine learning has begun to ...
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04/04/2022
On scientific understanding with artificial intelligence
Imagine an oracle that correctly predicts the outcome of every particle ...
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03/31/2022
SELFIES and the future of molecular string representations
Artificial intelligence (AI) and machine learning (ML) are expanding in ...
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09/27/2021
Design of quantum optical experiments with logic artificial intelligence
Logic artificial intelligence (AI) is a subfield of AI where variables c...
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09/06/2021
Learning Interpretable Representations of Entanglement in Quantum Optics Experiments using Deep Generative Models
Quantum physics experiments produce interesting phenomena such as interf...
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12/17/2020
Curiosity in exploring chemical space: Intrinsic rewards for deep molecular reinforcement learning
Computer-aided design of molecules has the potential to disrupt the fiel...
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12/17/2020
Deep Molecular Dreaming: Inverse machine learning for de-novo molecular design and interpretability with surjective representations
Computer-based de-novo design of functional molecules is one of the most...
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10/27/2020
Scientific intuition inspired by machine learning generated hypotheses
Machine learning with application to questions in the physical sciences ...
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02/23/2020
Computer-inspired Quantum Experiments
The design of new devices and experiments in science and engineering has...
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10/30/2019
Quantum Optical Experiments Modeled by Long Short-Term Memory
We demonstrate how machine learning is able to model experiments in quan...
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09/25/2019
Augmenting Genetic Algorithms with Deep Neural Networks for Exploring the Chemical Space
Challenges in natural sciences can often be phrased as optimization prob...
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06/17/2019
Predicting Research Trends with Semantic and Neural Networks with an application in Quantum Physics
The vast and growing number of publications in all disciplines of scienc...
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05/31/2019
SELFIES: a robust representation of semantically constrained graphs with an example application in chemistry
Graphs are ideal representations of complex, relational information. The...
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06/02/2017