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exp: qualitative contact-map errors on eval-val #345

Description

@timodonnell

Kind

  • Kind: evals

Question

What qualitative errors distinguish MarinFold's predicted contact maps from the correct maps on all 97 eval-val proteins, and which errors plausibly explain its limited accuracy?

Hypothesis

Errors may reflect missing or misplaced long-range contact blocks, diffuse ensemble votes, or local register shifts. Their relative contribution should be measured rather than inferred from aggregate precision alone.

Background

Build on #245's frozen eval-val universe, #277's saved rollout-and-resample predictions, and #339's diversity/accuracy investigation.

Approach

Reuse saved predictions from an explicitly identified checkpoint. Reproduce canonical per-protein metrics against the frozen resolved-residue universe, then inspect representative low-, medium-, and high-accuracy maps. Quantify contact-range bias, local near misses, confidence and support for missed true contacts. Build a self-contained HTML report with predicted and true maps side by side for all 97 proteins, sortable metrics, error overlays and explicit coordinate/threshold conventions. Use eval-val only; no model execution or eval-test read is needed.

Success criteria

All 97 eval-val proteins present with verified provenance and canonical scoring. A browsable HTML report, per-protein diagnostic CSV, selected annotated cases, reproducible analysis, and conclusions that distinguish observed patterns from causal hypotheses.

Activity

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    agent-generatedOpened by an AI agentexperimentResearch experiment tracked under experiments/kind/evalsExperiment kind: runs evals on trained models

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