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Distilling a battery force field made it 40 times faster and long enough to actually simulate

AspireAI community · arXiv (2610.39513)
Predicting electrolyte transport is the bottleneck in next-generation battery design: the machine-learning interatomic potentials accurate enough for that job are too slow to reach the timescales where transport properties converge. This work transfers accuracy from a large teacher potential into fast, system-specific students through knowledge distillation, with no additional ab initio data. The distilled models run about 40 times faster, reproduce the teacher's structural observables, and produce stable 20 nanosecond trajectories in days rather than the months the teacher would need. Across sodium- and lithium-ion electrolytes, student-predicted self-diffusivities, ionic conductivities and shear viscosities track experiment and beat classical force-field predictions. The limitation is scope: the students are system-specific, so each new electrolyte needs its own distillation run.
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One distance function matched sparse-autoencoder features across layers and compressed feature circuits into supernodes
Two sparse-autoencoder analyses have resisted scaling: matching semantically similar features across layers, and compressing large feature circuits into interpretable supernodes. This paper argues both are the same underlying problem, estimating semantic distances between SAE features that sit on different activation manifolds. Its representation treats each feature not as a single decoder vector but as an activation-weighted distribution over the hidden states expressing it, projects those distributions into a shared reference space, and compares them with Wasserstein distance. The representation is proved invariant to activation rescaling and stable under perturbation, and recovers true matches under finite-sample margin conditions. Empirically it outperformed decoder-vector and LLM-based baselines and captured subtle functional distinctions between related features, and it compressed large feature circuits into interpretable supernodes automatically. The limitation is that this is interpretability tooling: the paper demonstrates better feature matching and circuit compression, not that downstream interpretability claims become more accurate.
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