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ChemBO: Bayesian Optimization of Small Organic Molecules with Synthesizable Recommendations.

, , , , , , и . AISTATS, том 108 из Proceedings of Machine Learning Research, стр. 3393-3403. PMLR, (2020)

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Barnabás Szilágyi

Aloysius Barnabas

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Oliver Barnabas Kroemer

 

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Minimizing FLOPs to Learn Efficient Sparse Representations., , , , , и . ICLR, OpenReview.net, (2020)Myopic Bayesian Design of Experiments via Posterior Sampling and Probabilistic Programming., , , , , и . CoRR, (2018)ChemBO: Bayesian Optimization of Small Organic Molecules with Synthesizable Recommendations., , , , , , и . AISTATS, том 108 из Proceedings of Machine Learning Research, стр. 3393-3403. PMLR, (2020)Myopic Posterior Sampling for Adaptive Goal Oriented Design of Experiments., , , , , и . ICML, том 97 из Proceedings of Machine Learning Research, стр. 3222-3232. PMLR, (2019)Cautious Deep Learning., , и . CoRR, (2018)Independent subspace analysis using geodesic spanning trees., и . ICML, том 119 из ACM International Conference Proceeding Series, стр. 673-680. ACM, (2005)Hallucinating Point Cloud into 3D Sculptural Object., , , , , , и . CoRR, (2018)Utilize Old Coordinates: Faster Doubly Stochastic Gradients for Kernel Methods., и . UAI, AUAI Press, (2016)Unsupervised program synthesis for images by sampling without replacement., , и . UAI, том 161 из Proceedings of Machine Learning Research, стр. 408-418. AUAI Press, (2021)Undercomplete Blind Subspace Deconvolution Via Linear Prediction., , и . ECML, том 4701 из Lecture Notes in Computer Science, стр. 740-747. Springer, (2007)