chore: publish safetensors NexaMat stack artifacts

stack_manifest.json

@@ -1,121 +1,134 @@
 {
+  "name": "Nexa_Mat Gen Stack",
+  "model_id": "AethronPhantom/Nexa_Mat2",
+  "published_at": "2026-05-20T01:11:29Z",
   "components": {
-    "controller": {
-      "base_model": "Qwen/Qwen3-14B",
-      "closeout_report": "docs/projects/Nexa_Mat/results/reports/2026-05-19_multimodal_h200_fft_closeout.md",
-      "model_repo": "AethronPhantom/Nexa_Mat2",
-      "model_subfolder": "multimodal/controller/nexa_mat_controller_fft_pilot_20260518T234148Z/final_model_merged",
-      "name": "nexa_mat_controller_qwen3_14b_fft_pilot",
-      "role": "semantic controller for ranking, rejection, evidence routing, and explanation",
-      "training_state": "partial_fft_pilot_not_full_dataset"
-    },
-    "cross_attention_bridge": {
-      "module": "nexa_train.materials.cross_attention.GatedCrossAttentionBridge",
-      "role": "inject text, encoder, decoder, task, and evidence streams into diffusion/controller memory",
-      "status": "implemented_adapter_surface"
-    },
-    "decoder": {
-      "artifact_uri": "wasabi:nexa-mat/models/nexa_mat/diffusion-generation-v1/prod/nexa_mat_diffusion_prod_fp32_b512_phase_sampler_20260512T162654Z/final_checkpoint.pt",
-      "closeout_report": "docs/projects/Nexa_Mat/results/reports/2026-05-13_diffusion_prod_225k_closeout.md",
-      "generation_mode": "distributional_sampler_best_of_n",
-      "name": "nexa_mat_diffusion_generation_v1",
-      "role": "constrained best-of-N candidate proposal and structure repair",
-      "run_root_uri": "wasabi:nexa-mat/models/nexa_mat/diffusion-generation-v1/prod/nexa_mat_diffusion_prod_fp32_b512_phase_sampler_20260512T162654Z"
-    },
     "encoder": {
-      "artifact_uri": "wasabi:nexa-mat/models/nexa_mat/encoder-pretrain/full_v1/2026-05-06/nexa_mat_encoder_blackwell_full_v1_continue_to_200k_20260506T075034Z/nexa_mat_V1_final.pt",
-      "closeout_report": "docs/projects/Nexa_Mat/results/reports/2026-05-06_full_pretrain_v1_200k_closeout.md",
-      "dataset_uri": "wasabi:nexa-mat/datasets/nexa_mat_v1",
-      "frozen": true,
-      "name": "nexa_mat_V1_final",
-      "role": "frozen physics grounding and plausibility scoring"
-    }
-  },
-  "created_at_utc": "2026-05-19T21:53:54.250964+00:00",
-  "intended_use": "forward candidate proposal/ranking and reverse candidate-pool triage",
-  "learned_controller_smoke": {
-    "all_fixture": {
-      "alignment_gates": 3,
-      "alignment_score": 0.4315514275885793,
-      "candidate_decision_accuracy": 0.16666666666666666,
-      "candidates": 6,
-      "controller_alignment_promotable": false,
-      "criteria": {
-        "alignment_ready_for_fft": true,
-        "bad_candidate_false_positive_max": 0.0,
-        "min_frontier_preservation": 1.0,
-        "min_known_deprioritization": 1.0,
-        "uncontained_hallucination_max": 0.0
+      "component": "nexa_mat_encoder_v1",
+      "role": "frozen physics-grounding encoder",
+      "repo_id": "AethronPhantom/Nexa_Mat2",
+      "path": "encoder/v1/nexa_mat_V1_final.safetensors",
+      "artifact_uri": "hf://AethronPhantom/Nexa_Mat2/encoder/v1/nexa_mat_V1_final.safetensors",
+      "source_checkpoint_uri": "wasabi:nexa-mat/models/nexa_mat/encoder-pretrain/full_v1/2026-05-06/nexa_mat_encoder_blackwell_full_v1_continue_to_200k_20260506T075034Z/nexa_mat_V1_final.pt",
+      "published_at": "2026-05-20T01:11:29Z",
+      "format": "safetensors_model_state_only",
+      "stats": {
+        "bytes": 11264456,
+        "sha256": "a39e1db3c86622cc36bc2610a47af0f6336578fc3b644a7068ed62190853e9a0"
       },
-      "false_positive_rate_on_bad_candidates": 0.0,
-      "frontier_preservation_rate": 1.0,
-      "gate_checks": {
-        "bad_candidate_false_positive": true,
-        "frontier_preservation": true,
-        "known_deprioritization": false,
-        "ready_for_fft": false,
-        "uncontained_hallucination": false
+      "architecture": {
+        "family": "directional_potential",
+        "hidden_dim": 192,
+        "egnn_layers": 4,
+        "max_neighbors": 8,
+        "radial_basis": 64,
+        "cutoff_angstrom": 6.0,
+        "message_aggregation": "learned",
+        "energy_mode": "atomwise_sum",
+        "absolute_coords": false,
+        "parameters": 2813714
       },
-      "known_deprioritization_rate": 0.0,
-      "prediction_generators": [
-        "AethronPhantom/Nexa_Mat2/multimodal/controller/nexa_mat_controller_fft_pilot_20260518T234148Z/final_model_merged"
-      ],
-      "ready_for_fft": false,
-      "records": 6,
-      "report": "/dev/shm/nexa_mat_controller_rollout_all_eval.md",
-      "structured_output_validity": 0.16666666666666666,
-      "uncontained_hallucination_rate": 1.0
-    },
-    "artifact_paths": {
-      "all_predictions.jsonl": "eval/controller_smoke/all_predictions.jsonl",
-      "all_summary.json": "eval/controller_smoke/all_summary.json",
-      "reverse_predictions.jsonl": "eval/controller_smoke/reverse_predictions.jsonl",
-      "reverse_summary.json": "eval/controller_smoke/reverse_summary.json"
+      "training": {
+        "phase": "encoder_full_pretrain_v1",
+        "steps": 200000,
+        "dataset": "nexa_mat_v1 force-compatible OMat24 surface",
+        "science_status": "frozen_for_downstream_generative_experiments"
+      }
     },
-    "read": "The partial FFT controller reloads and passes the reverse-pool routing smoke with 1024 generation tokens. It does not yet pass the broader all-fixture learned-controller gate, so rollout defaults should keep the deterministic stack policy as the conservative public path.",
-    "reverse_pool": {
-      "alignment_gates": 10,
-      "alignment_score": 1.0,
-      "candidate_decision_accuracy": 1.0,
-      "candidates": 6,
-      "controller_alignment_promotable": true,
-      "criteria": {
-        "alignment_ready_for_fft": true,
-        "bad_candidate_false_positive_max": 0.0,
-        "min_frontier_preservation": 1.0,
-        "min_known_deprioritization": 1.0,
-        "uncontained_hallucination_max": 0.0
+    "diffusion_decoder": {
+      "component": "nexa_mat_diffusion_v1",
+      "role": "constrained best-of-N diffusion proposal decoder",
+      "repo_id": "AethronPhantom/Nexa_Mat2",
+      "path": "decoder/diffusion_v1/final_checkpoint.safetensors",
+      "artifact_uri": "hf://AethronPhantom/Nexa_Mat2/decoder/diffusion_v1/final_checkpoint.safetensors",
+      "source_checkpoint_uri": "wasabi:nexa-mat/models/nexa_mat/diffusion-generation-v1/prod/nexa_mat_diffusion_prod_fp32_b512_phase_sampler_20260512T162654Z/final_checkpoint.pt",
+      "published_at": "2026-05-20T01:11:29Z",
+      "format": "safetensors_model_state_only",
+      "stats": {
+        "bytes": 16263948,
+        "sha256": "d55b837f9600e82846e396f1a9384d52e99a17c43ac5a7d53bd14bb24d3e7395"
+      },
+      "architecture": {
+        "training_mode": "template-conditioned diffusion repair",
+        "precision": "fp32",
+        "frozen_encoder_parameters": 2813714,
+        "trainable_diffusion_parameters": 1248145,
+        "full_parameters": 4061859,
+        "uses_encoder_features": true,
+        "branches": [
+          "atom_reconstruction",
+          "fractional_coordinate_repair",
+          "pair_distance_repair",
+          "lattice_residual_repair",
+          "conservative_update_gates"
+        ]
       },
-      "false_positive_rate_on_bad_candidates": 0.0,
-      "frontier_preservation_rate": 1.0,
-      "gate_checks": {
-        "bad_candidate_false_positive": true,
-        "frontier_preservation": true,
-        "known_deprioritization": true,
-        "ready_for_fft": true,
-        "uncontained_hallucination": true
+      "training": {
+        "phase": "diffusion_generation_v1_prod",
+        "steps": 225000,
+        "operating_mode": "sampler_aware_best_of_n_with_filtering",
+        "science_status": "usable_as_constrained_generator_not_one_shot_oracle"
       },
-      "known_deprioritization_rate": 1.0,
-      "prediction_generators": [
-        "AethronPhantom/Nexa_Mat2/multimodal/controller/nexa_mat_controller_fft_pilot_20260518T234148Z/final_model_merged"
+      "final_eval": {
+        "atom_accuracy": 0.99988,
+        "coord_improvement_fraction": 0.70544,
+        "pair_distance_improvement_fraction": 0.7122,
+        "lattice_improvement_fraction": 0.55273,
+        "sampler_valid_geometry_rate": 0.66406,
+        "valid_geometry_rate": 0.75
+      }
+    },
+    "multimodal_controller": {
+      "component": "qwen3_14b_controller_partial_fft",
+      "repo_id": "AethronPhantom/Nexa_Mat2",
+      "path": "multimodal/controller/nexa_mat_controller_fft_pilot_20260518T234148Z/final_model_merged/model.safetensors",
+      "artifact_uri": "hf://AethronPhantom/Nexa_Mat2/multimodal/controller/nexa_mat_controller_fft_pilot_20260518T234148Z/final_model_merged/model.safetensors",
+      "base_model": "Qwen/Qwen3-14B",
+      "status": "experimental_controller_partial_fft"
+    },
+    "cross_attention": {
+      "component": "nexa_mat_cross_attention_contract_v1",
+      "status": "interface_contract",
+      "purpose": "condition diffusion proposals and multimodal controller evidence on shared structure, text, task, and model-state lanes",
+      "lanes": [
+        {
+          "name": "structure_latent",
+          "producer": "encoder/v1/nexa_mat_V1_final.safetensors",
+          "consumer": "diffusion decoder and controller"
+        },
+        {
+          "name": "diffusion_state",
+          "producer": "decoder/diffusion_v1/final_checkpoint.safetensors",
+          "consumer": "controller ranking and evidence packet"
+        },
+        {
+          "name": "text_intent",
+          "producer": "Qwen controller tokens",
+          "consumer": "diffusion conditioning and reverse ranking"
+        },
+        {
+          "name": "evidence_context",
+          "producer": "retrieval/controller",
+          "consumer": "decision layer"
+        },
+        {
+          "name": "task_heads",
+          "producer": "SSB/battery-ion adapters",
+          "consumer": "reverse pool scoring and use-case constraints"
+        }
       ],
-      "ready_for_fft": true,
-      "records": 1,
-      "report": "/dev/shm/nexa_mat_controller_rollout_reverse_eval.md",
-      "structured_output_validity": 1.0,
-      "uncontained_hallucination_rate": 0.0
+      "forward_flow": "constraints -> controller intent tokens -> diffusion proposals -> encoder plausibility scoring -> controller evidence and ranking",
+      "reverse_flow": "candidate pool -> encoder/task/evidence scoring -> optional decoder expansion -> controller rank/filter/explain"
     }
   },
-  "routing_contract": {
-    "forward": "intent -> constraints -> decoder samples -> encoder/validator filters -> controller ranks/explains",
-    "hard_rules": [
-      "reject hard physics failures",
-      "preserve physically plausible low-evidence novelty as DFT candidates",
-      "deprioritize known duplicates unless conservative mode allows them",
-      "route unsupported claims to retrieve-more or human review"
-    ],
-    "reverse": "candidate pool -> encoder/task/evidence scoring -> optional decoder expansion -> controller rank/filter/explain"
+  "space": {
+    "repo_id": "AethronPhantom/nexamat-crystal-viewer",
+    "url": "https://huggingface.co/spaces/AethronPhantom/nexamat-crystal-viewer",
+    "runtime": "gradio.Server custom frontend with ZeroGPU model_stack hook"
   },
-  "schema_version": "nexa_mat_stack_manifest/v1",
-  "status": "rollout_partial_controller"
+  "safety_and_limits": [
+    "Generated structures are candidates for triage, not DFT-confirmed stable materials.",
+    "Decoder is best used as constrained best-of-N generation with encoder filtering.",
+    "Controller is experimental and should ground claims in evidence/context rather than inventing support."
+  ]
 }