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20112026
most citedTowards Universal Neural Network Potential for Material Discovery Applicable to Arbitrary Combination of 45 Elements

450 citations

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cs.LG2026

Conditional PED-ANOVA: Hyperparameter Importance in Hierarchical & Dynamic Search Spaces

Kaito Baba, Yoshihiko Ozaki, Shuhei Watanabe

We propose conditional PED-ANOVA (condPED-ANOVA), a principled framework for estimating hyperparameter importance (HPI) in conditional search spaces, where the presence or domain o…

cs.LG2021★ 4 cited

Theoretically Motivated Data Augmentation and Regularization for Portfolio Construction

Liu Ziyin, Kentaro Minami, Kentaro Imajo

The task we consider is portfolio construction in a speculative market, a fundamental problem in modern finance. While various empirical works now exist to explore deep learning in…

cs.LG2020

Discovering Avoidable Planner Failures of Autonomous Vehicles using Counterfactual Analysis in Behaviorally Diverse Simulation

Daisuke Nishiyama, Mario Ynocente Castro, Shirou Maruyama +7

Automated Vehicles require exhaustive testing in simulation to detect as many safety-critical failures as possible before deployment on public roads. In this work, we focus on the…

cs.LG2020★ 3 cited

Mixture of Step Returns in Bootstrapped DQN

Po-Han Chiang, Hsuan-Kung Yang, Zhang-Wei Hong +1

The concept of utilizing multi-step returns for updating value functions has been adopted in deep reinforcement learning (DRL) for a number of years. Updating value functions with…

cs.LG2019★ 27 cited

Chainer: A Deep Learning Framework for Accelerating the Research Cycle

Seiya Tokui, Ryosuke Okuta, Takuya Akiba +7

Software frameworks for neural networks play a key role in the development and application of deep learning methods. In this paper, we introduce the Chainer framework, which intend…

cs.LG2018★ 1 cited

BayesGrad: Explaining Predictions of Graph Convolutional Networks

Hirotaka Akita, Kosuke Nakago, Tomoki Komatsu +4

Recent advances in graph convolutional networks have significantly improved the performance of chemical predictions, raising a new research question: "how do we explain the predict…