Ensembles of deep neural networks demonstrate improved performance over single models. For enhancing the diversity of ensemble members while keeping their performance, particle-based inference methods offer a promising approach from a Bayesian perspective. However, the best way to apply these methods to neural networks is still unclear: seeking samples from the weight-space posterior suffers from inefficiency due to the over-parameterization issues, while seeking samples directly from the function-space posterior often results in serious underfitting. In this study, we propose optimizing particles in the feature space where the activation of a specific intermediate layer lies to address the above-mentioned difficulties. Our method encourages each member to capture distinct features, which is expected to improve ensemble prediction robustness. Extensive evaluation on real-world datasets shows that our model significantly outperforms the gold-standard Deep Ensembles on various metrics, including accuracy, calibration, and robustness. Code is available at https://github.com/DensoITLab/featurePI .
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