{"schema_version":1,"experiment_id":"eoa_inverse_innovation_exp09_archetype_breadth150_20260804","research_id":"eoa_inverse_innovation_exp09_light_prior_art_20260804","cell_id":"search_space_pruning__chemistry_materials","search_lanes":{"direct_problem_and_intervention":{"queries":["solid electrolyte materials discovery substitution enumeration charge neutrality screening candidates","solid-state electrolyte high throughput screening synthesis bottleneck candidate space","large-scale screening high-entropy superionic solid electrolytes substitution charge balance"],"source_ids":["SRC1","SRC2"],"no_result_note":null},"synonyms_and_historical_terms":{"queries":["materials informatics chemical substitution branch and bound crystal structures","prototype enumeration ionic substitution oxidation-state balancing materials discovery","combinatorial materials screening high-throughput solid electrolyte"],"source_ids":["SRC1","SRC2"],"no_result_note":null},"products_practices_and_standards":{"queries":["AiiDA provenance materials screening workflow audit trail candidates","SMACT charge neutrality filter elemental substitution candidate generation materials","OSHA laboratory chemical hygiene plan prior approval hazardous chemicals"],"source_ids":["SRC1","SRC3","SRC4"],"no_result_note":null},"component_combination":{"queries":["branch and bound materials discovery chemical substitution","materials screening provenance audit trail excluded candidates uncertainty diversity","solid electrolyte substitution prototype charge balance processing screening"],"source_ids":["SRC1","SRC2","SRC3"],"no_result_note":"No retained source described the full combination of impossibility-only branch pruning, exclusion certificates, stratified audits of excluded families, and rule-triggered reentry."}},"sources":[{"source_id":"SRC1","title":"Scaling deep learning for materials discovery","publisher":"Nature / Springer Nature","url":"https://www.nature.com/articles/s41586-023-06735-9","source_type":"PRIMARY_RESEARCH","claims_supported":["Crystal discovery faces combinatorial blow-up from prototype enumeration and ionic substitution.","GNoME used pymatgen branch-and-bound algorithms with a substitution-probability threshold to explore composition space efficiently.","The work discusses charge-balance filtering, its potential over-restrictiveness, symmetry-aware partial substitution, diversity, and staged property filtering."]},{"source_id":"SRC2","title":"Large-scale screening of high-entropy materials for superionic solid electrolytes","publisher":"npj Computational Materials / Springer Nature","url":"https://www.nature.com/articles/s41524-026-02116-8","source_type":"PRIMARY_RESEARCH","claims_supported":["A solid-electrolyte workflow generated 113,098 candidates from 93 structural prototypes through iterative elemental substitution.","The workflow used allowed substitution pools, charge balancing for aliovalent substitutions, compositional exclusions, and staged machine-learning, DFT, and molecular-dynamics screening.","The scale and staged narrowing directly demonstrate a tractability problem in solid-electrolyte substitution search."]},{"source_id":"SRC3","title":"AiiDA Use Cases","publisher":"AiiDA Team","url":"https://aiida.net/use-cases/","source_type":"FIRST_PARTY_PRODUCT","claims_supported":["AiiDA supports high-throughput screening funnels that narrow very large crystal collections into shortlists.","It records inputs, code, results, protocols, measurements, and analysis in queryable provenance graphs.","Existing materials-workflow infrastructure therefore covers reproducibility and lineage, including battery experiments, but the page does not specify reversible certificates for every excluded branch."]},{"source_id":"SRC4","title":"29 CFR 1910.1450—Occupational exposure to hazardous chemicals in laboratories","publisher":"U.S. Occupational Safety and Health Administration","url":"https://www.osha.gov/laws-regs/regulations/standardnumber/1910/1910.1450","source_type":"OFFICIAL_STANDARD","claims_supported":["Covered laboratories must implement a written Chemical Hygiene Plan with safety procedures and control criteria.","The plan must designate responsible personnel and identify operations requiring prior approval by the employer or designee.","Hazard information, safety data sheets, protective measures, training, and periodic plan review remain employer responsibilities and cannot be waived by screening software."]}],"problem_evidence":{"status":"PARTLY_SUPPORTED","finding":"The tractability problem is visible: published solid-electrolyte and general crystal-discovery workflows generate enormous substitution spaces and narrow them through charge-balance rules, heuristics, machine learning, and staged calculations. The retained sources do not establish the proposal's more specific prevalence claim that informal spreadsheet pruning routinely advances elementary infeasibilities or removes unconventional feasible families without recorded reasons.","source_ids":["SRC1","SRC2","SRC3"]},"closest_prior_art":[{"name":"GNoME prototype-substitution generation and branch-and-bound screening","source_ids":["SRC1"],"overlap":"Uses crystal prototypes, ionic substitutions, combinatorial search, pymatgen branch-and-bound, charge-balance considerations, diversity-expanding partial substitutions, and downstream feasibility filters.","remaining_difference":"Its branch pruning is driven partly by substitution-probability thresholds and learned energy screening, not an impossibility-only rule with conservative descendant bounds, per-exclusion certificates, stratified audits of excluded branches, accountable safety ownership, and explicit reentry."},{"name":"Iterative high-entropy solid-electrolyte generation and hierarchical screening","source_ids":["SRC2"],"overlap":"Directly matches the domain and combines structural prototypes, elemental substitutions, charge balancing, candidate exclusions, processing-temperature simulations, and staged narrowing of more than 100,000 candidates.","remaining_difference":"It is a screening pipeline rather than a governed reversible branch-pruning system; the article does not report exclusion certificates, blinded false-negative holdouts across pruned families, or automatic branch reopening when constraints or uncertainty change."},{"name":"AiiDA high-throughput screening with provenance graphs","source_ids":["SRC3"],"overlap":"Provides scalable screening workflows and machine-queryable lineage for inputs, protocols, computations, measurements, and results.","remaining_difference":"General workflow provenance does not itself impose impossibility-only pruning, preserve representative exclusions for false-negative review, encode a safety-officer veto, or create branch-specific reentry rules."}],"prior_art_disposition":"ADJACENT_PRIOR_ART","contrastive_claim_remaining":"Against a baseline that applies exact checks to individual candidates and ranks the survivors, a prototype-and-substitution tree that hard-prunes only through descendant-wide exact violations or frozen conservative bounds, while retaining stratified exclusion holdouts and reproducible reversible certificates, will reduce retained candidates or review effort without losing any known qualifying candidate or materially collapsing chemistry-family coverage in one completed campaign.","contrastive_claim_falsifier":"The claim fails if the governed branch method eliminates no additional work beyond leaf-level exact filtering, if any known qualifying candidate is hard-pruned without being detected and restored through the holdout process, if family coverage falls below the frozen diversity rule, or if an independent reviewer cannot reproduce every exclusion from its certificate.","gates":{"adequate_source_search":{"status":"PASS","rationale":"The bounded search covered direct terminology, older materials-informatics terminology, domain workflows, first-party provenance tooling, safety standards, and combinations of branch-and-bound, substitution, charge balance, diversity, and audit concepts. Four opened sources span three publishers and include primary research, a first-party system, and an official standard.","source_ids":["SRC1","SRC2","SRC3","SRC4"]},"supported_problem":{"status":"PASS","rationale":"Primary studies directly show combinatorial substitution spaces and the need for aggressive staged narrowing, although the claimed prevalence of undocumented erroneous spreadsheet exclusions remains unverified; this supports a PARTLY_SUPPORTED finding.","source_ids":["SRC1","SRC2","SRC3"]},"distinct_testable_claim":{"status":"PASS","rationale":"The remaining claim distinguishes impossibility-only, reversible, audited branch exclusion from probability-threshold branch-and-bound, ordinary hierarchical screening, and general provenance. It has measurable retention, workload, false-negative, family-coverage, and certificate-reproducibility outcomes.","source_ids":["SRC1","SRC2","SRC3"]},"bounded_next_test":{"status":"PASS","rationale":"A retrospective comparison on one completed campaign capped at 500 candidates is bounded and read-only. Frozen pre-synthesis inputs and hidden outcomes permit direct comparison with leaf-level filtering and ranking without commissioning new synthesis.","source_ids":["SRC1","SRC2","SRC3"]},"no_obvious_safety_or_authority_stop":{"status":"PASS","rationale":"The first test changes no active experiment queue and performs no synthesis. Any future laboratory use must remain subordinate to the employer's Chemical Hygiene Plan, designated responsible personnel, prior-approval rules, and hazard controls; software cannot waive those requirements.","source_ids":["SRC4"]}},"screen_survival":true,"world_novelty_boundary":"This bounded public-web screen found adjacent components and workflows but no retained source containing the full governed combination. It cannot establish world novelty, patentability, market size, expert acceptance, prevalence, or realized value."}