Active learning for predicting the enthalpy of mixing in binary liquids based on ab initio molecular dynamics

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There's a tradeoff: a lower capacity means you can skip more space during queries (you zoom in faster), but the tree has more nodes and uses more memory. A higher capacity means fewer nodes but each node requires checking more points linearly. As a starting point, capacities between 4 and 16 are reasonable defaults, though the best value depends on your data distribution and query patterns.