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Why you can trust (or not) a candidate

MEIDNet shows its reasoning rather than a score. Where to look:

Before trusting the model

  • Training report → accuracy table. A property rated weak means its predictions are not much better than guessing the mean; targets on it are unreliable.
  • Training report → alignment. Low retrieval accuracy means property latents do not land near the right structures; inverse design from them is guesswork.
  • Check report → distributions. A target in a region with almost no training data is extrapolation.

For each candidate

  • The checklist — every rule's measured value and allowed window. These are deterministic chemistry (charges, radii, distances), not model outputs.
  • The gauges — where the prediction sits relative to the target and to the training range.
  • Warnings — predicted value outside the training range (extrapolation) and latent hit the search limit (the search pushed a latent to the z_clip bound; predictions there are less reliable). The model is trained on latents of length 1 and every search moves them further out (typically to length 3–5), so the report says this once for the whole run rather than on every card; each candidate's length is the latent_norm column of candidates.csv.
  • Encoder vs search — in the Studio, compare the search's decoded prediction with the structure encoder's prediction for the same composition. Large disagreement is a red flag.

For the run as a whole

  • The funnel — which rule removed most attempts. If it is a chemical rule (charge balance, tolerance factor), the family's element lists may be too broad for the target; if it is no charge-balancing element, the oxidation-state tables may be missing an entry.
  • Rejected examples — what the search wanted to make; often more informative than what it kept.
  • Latent map — whether the population spread out (diversity) or collapsed.

What MEIDNet never claims

A candidate is a composition on an ideal prototype with model-predicted properties. Whether it is stable, synthesisable, or has those properties is for meidnet screen, DFT and the lab to decide.