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05/19/2022
ODBO: Bayesian Optimization with Search Space Prescreening for Directed Protein Evolution
Directed evolution is a versatile technique in protein engineering that ...
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01/29/2022
Retroformer: Pushing the Limits of Interpretable End-to-end Retrosynthesis Transformer
Retrosynthesis prediction is one of the fundamental challenges in organi...
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09/10/2019
Wasserstein Collaborative Filtering for Item Cold-start Recommendation
The item cold-start problem seriously limits the recommendation performa...
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09/10/2019
PMD: A New User Distance for Recommender Systems
Collaborative filtering, a widely-used recommendation technique, predict...
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06/22/2019
Alchemy: A Quantum Chemistry Dataset for Benchmarking AI Models
We introduce a new molecular dataset, named Alchemy, for developing mach...
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06/13/2019
A Meta Approach to Defend Noisy Labels by the Manifold Regularizer PSDR
Noisy labels are ubiquitous in real-world datasets, which poses a challe...
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06/06/2019
Understanding Adversarial Behavior of DNNs by Disentangling Non-Robust and Robust Components in Performance Metric
The vulnerability to slight input perturbations is a worrying yet intrig...
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05/15/2019
Rethinking the Usage of Batch Normalization and Dropout in the Training of Deep Neural Networks
In this work, we propose a novel technique to boost training efficiency ...
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05/13/2019