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Single-model uncertainty quantification in neural network potentials does not...
Neural networks (NNs) often assign high confidence to their predictions, even for points far out-of-distribution, making uncertainty quantification (UQ) a challenge. When they... -
Single-model uncertainty quantification in neural network potentials does not...
Neural networks (NNs) often assign high confidence to their predictions, even for points far out-of-distribution, making uncertainty quantification (UQ) a challenge. When they... -
Graph theory-based structural analysis on density anomaly of silica glass
Understanding the structure of glassy materials represents a tremendous challenge for both experiments and computations. Despite decades of scientific research, for instance,...
