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[mps] Challenge 81: purified Anderson impurity solver - #274

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jiangweiqi001 wants to merge 92 commits into
QuantumBFS:mainfrom
jiangweiqi001:challenge/81-frustration-free
Open

[mps] Challenge 81: purified Anderson impurity solver#274
jiangweiqi001 wants to merge 92 commits into
QuantumBFS:mainfrom
jiangweiqi001:challenge/81-frustration-free

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@jiangweiqi001 jiangweiqi001 commented Jul 30, 2026

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Summary

  • implement a deterministic finite-temperature Anderson impurity solver with finite-bath ED validation, purified MPS observables, resumable TDVP checkpoints, and strict provenance
  • add finite star-to-chain mapping, QN-sector experimental infrastructure, and a locked TRIQS/CT-HYB reference pipeline
  • provide a Chinese stage report that separates verified results, partial cluster runs, qualification boundaries, reproduction commands, and remaining work

Scientific status

  • selected beta=0.5 finite-bath MPS/ED setting reaches a recorded maximum difference of 4.631353420214701e-8; timestep convergence remains non-monotonic
  • beta=16 and CT-HYB production runs produced resource/progress evidence and resumable state but were stopped before final convergence/comparison artifacts
  • the report deliberately makes no beta=16/32 controlled-result claim

Verification

  • git diff --check
  • report evidence and acceptance claims independently audited
  • focused Python/Julia tests are included throughout the implementation history
  • final full Python rerun was interrupted before completion
  • beta=16 convergence and CT-HYB comparison remain future work documented in the report

Report

tracks/qmc/solutions/frustration-free/challenge-81/挑战81汇报.md

Made with Cursor

jiangweiqi001 and others added 30 commits July 27, 2026 12:55
Claim the interacting Thouless-pump benchmark and record the team and solution path for the hackathon submission.

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Record the second challenge in the team's existing submission and pin its core references so the parallel effort starts from reproducible inputs.

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Pin the finite-temperature estimator, GTEMPO comparators, source package, and purification example needed to design and independently validate the impurity solver.

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Classify mutable cell state only under its advisory lock so a concurrent runner cannot make validation reject a coherent run snapshot.

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Use the checkpoint writer's cross-language numeric encoding during validation so cooperative Slurm checkpoints remain resumable without weakening canonical checks for Python artifacts.

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Define the deterministic mapping contract and a TDD path that preserves direct-star defaults while keeping QN and N_b=48 enablement out of scope.
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Cursor Agent and others added 29 commits July 30, 2026 11:25
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Record matched chain/QN and chain/non-QN scientific and resource evidence without unlocking production gates prematurely.

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Accept a complete bath/mapping pair while retaining fail-closed rejection of partially configured benchmark inputs.

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Provide real calibration, reduction, comparison, publication, and offline wrapper contracts so the bounded Solver pilot can bind the complete transitive source inventory without claiming accepted calibration.
Use Linux O_PATH fallback for shared hierarchy components that permit traversal but not directory listing, preserving no-follow validation on offline clusters.
Raise the canonical tau mesh to the smallest compatible exact-node size after TRIqs 4.0 rejected the prior n_tau below twice n_iw.
Accept TRIqs 4.0's integer zero success status and use its warning-free tau mesh minimum while preserving exact reported tau nodes.
Record the validated solve arguments supplied by the runner when the real TRIqs Solver does not expose a solve_parameters attribute.
Read TRIqs and HDF5 versions from the exact locked prefix records because the conda builds do not expose wheel metadata or h5py.
Retain and hash the TRIqs last_configuration HDF5 member without deserializing its nonportable internal representation during scientific revalidation.
Import TRIqs HDF scheme providers before raw reload so fresh validator processes reconstruct density-matrix evidence independently.
Generate the exact 60-cell plan, retain per-cell raw Solver state, and reduce immutable result artifacts through the predefined statistical gates.
Match micromamba 2.5 parsing so offline execution selects the locked target prefix instead of the absent default root prefix.
Pass the immutable deployed source directory explicitly because Slurm executes copied batch scripts from its spool, and isolate micromamba process caches per array cell.
Replace underpowered direct-bin calibration with hash-bound Legendre qualification and the reviewed fresh statistical matrix before production can be admitted.

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Write calibration-specific raw evidence so disabling the unqualified G_tau estimator cannot break immutable G_l retention.

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Avoid evaluating calibration-only fallback controls while processing qualification cells.

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Qualify a predeclared reconstruction cutoff against every larger retained cutoff and add a non-accepting, variance-powered scaling workflow.

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Use aggregate high-mode scaling for the diagnostic and keep noisy observed centers separate from the variance-powered final sample count.

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Keep the exact powered scaling rerun statistically independent from every prior diagnostic attempt.

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Gate cutoff 40 with spin and particle-hole projected observables while retaining and statistically validating every unsymmetrized diagnostic.

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Record the verified implementation, partial runs, failure boundaries, reproduction steps, and prompt history without promoting unfinished work to accepted results.
Keep the submitted Markdown clean under the repository diff gate.

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Lead with the validated solver, recovery, mapping, QN, and CT-HYB work while retaining precise evidence boundaries and next steps.

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Bind the stage report to the dedicated Challenge 81 review path instead of the shared registration pull request.

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@jiangweiqi001
jiangweiqi001 marked this pull request as ready for review July 30, 2026 11:34
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