fix: various cleanups and improvements for the reproducibility system

config.default.toml

@@ -144,7 +144,6 @@ split = "train[:400]"
 column = "text"
 residual_plot_label = '"Harmless" prompts'
 residual_plot_color = "royalblue"
-commit = ""
 
 # Dataset of prompts that tend to result in refusals (used for calculating refusal directions).
 [bad_prompts]
@@ -153,18 +152,15 @@ split = "train[:400]"
 column = "text"
 residual_plot_label = '"Harmful" prompts'
 residual_plot_color = "darkorange"
-commit = ""
 
 # Dataset of prompts that tend to not result in refusals (used for evaluating model performance).
 [good_evaluation_prompts]
 dataset = "mlabonne/harmless_alpaca"
 split = "test[:100]"
 column = "text"
-commit = ""
 
 # Dataset of prompts that tend to result in refusals (used for evaluating model performance).
 [bad_evaluation_prompts]
 dataset = "mlabonne/harmful_behaviors"
 split = "test[:100]"
 column = "text"
-commit = ""

src/heretic/config.py

@@ -31,6 +31,11 @@ class DatasetSpecification(BaseModel):
         description="Hugging Face dataset ID, or path to dataset on disk."
     )
 
+    commit: str | None = Field(
+        default=None,
+        description="Hugging Face commit hash of the dataset.",
+    )
+
     split: str = Field(description="Portion of the dataset to use.")
 
     column: str = Field(description="Column in the dataset that contains the prompts.")
@@ -59,10 +64,6 @@ class DatasetSpecification(BaseModel):
         default=None,
         description="Matplotlib color to use for the dataset in plots of residual vectors.",
     )
-    commit: str | None = Field(
-        default=None,
-        description="Hugging Face commit hash of the dataset.",
-    )
 
 
 class BenchmarkSpecification(BaseModel):

src/heretic/main.py

@@ -544,7 +544,8 @@ def run():
 
         trial.set_user_attr("kl_divergence", kl_divergence)
         trial.set_user_attr("refusals", refusals)
-        trial.set_user_attr("total_refusal_prompts", len(evaluator.bad_prompts))
+        trial.set_user_attr("base_refusals", evaluator.base_refusals)
+        trial.set_user_attr("n_bad_prompts", len(evaluator.bad_prompts))
 
         return score
 
@@ -873,13 +874,7 @@ This saves your exact configuration and system information, along with the study
                                 card.data.tags.append("decensored")
                                 card.data.tags.append("abliterated")
                                 card.text = (
-                                    get_readme_intro(
-                                        settings,
-                                        trial,
-                                        evaluator.base_refusals,
-                                        evaluator.bad_prompts,
-                                    )
-                                    + card.text
+                                    get_readme_intro(settings, trial) + card.text
                                 )
                                 card.push_to_hub(repo_id, token=token)
 

src/heretic/system.py

@@ -25,6 +25,7 @@ from accelerate.utils import (
 
 def empty_cache():
     """Clears the backend cache and collects garbage."""
+
     # Collecting garbage is not an idempotent operation, and to avoid OOM errors,
     # gc.collect() has to be called both before and after emptying the backend cache.
     # See https://github.com/p-e-w/heretic/pull/17 for details.
@@ -48,6 +49,7 @@ def empty_cache():
 
 def get_nvidia_driver_version() -> str | None:
     """Gets the NVIDIA driver version using nvidia-smi."""
+
     try:
         output = subprocess.check_output(
             ["nvidia-smi", "--query-gpu=driver_version", "--format=csv,noheader"],
@@ -61,6 +63,7 @@ def get_nvidia_driver_version() -> str | None:
 
 def get_amdgpu_driver_version() -> str | None:
     """Gets the AMD GPU (ROCm) driver and suite version info."""
+
     # 1. Try amd-smi (modern standard for ROCm 6.0+)
     try:
         output = subprocess.check_output(
@@ -101,6 +104,7 @@ def get_amdgpu_driver_version() -> str | None:
 
 def get_xpu_driver_version() -> str | None:
     """Gets the Intel XPU driver version."""
+
     try:
         output = subprocess.check_output(
             ["xpu-smi", "discovery"],
@@ -117,6 +121,7 @@ def get_xpu_driver_version() -> str | None:
 
 def get_npu_driver_version() -> str | None:
     """Gets the Huawei NPU driver version."""
+
     try:
         output = subprocess.check_output(
             ["npu-smi", "info", "-t", "board", "-i", "0"],
@@ -133,6 +138,7 @@ def get_npu_driver_version() -> str | None:
 
 def get_mps_driver_version() -> str | None:
     """Gets the Apple Silicon (MPS) driver version via macOS version."""
+
     try:
         output = subprocess.check_output(
             ["sw_vers", "-productVersion"],
@@ -156,6 +162,7 @@ class HereticVersionInfo:
 
 def get_heretic_version_info() -> HereticVersionInfo:
     """Detects version and installation source (PyPI, Git, Local) of heretic-llm."""
+
     package_name = "heretic-llm"
     origin_metadata: dict[str, Any] = {"type": "unknown"}
     # This package must be installed for this code to run.
@@ -171,6 +178,7 @@ def get_heretic_version_info() -> HereticVersionInfo:
     if not direct_url_content:
         # Standard PyPI installation.
         origin_metadata["type"] = "pypi"
+
         return HereticVersionInfo(
             version=base_version,
             origin="PyPI",
@@ -178,51 +186,48 @@ def get_heretic_version_info() -> HereticVersionInfo:
             metadata=origin_metadata,
         )
 
-    try:
-        data = json.loads(direct_url_content)
+    data = json.loads(direct_url_content)
 
-        # Check for Git source.
-        if "vcs_info" in data and data["vcs_info"].get("vcs") == "git":
-            vcs_info = data["vcs_info"]
-            commit_hash = vcs_info.get("commit_id", "unknown")
-            repo_url = data.get("url", "unknown_repo")
-            requested_revision = vcs_info.get("requested_revision")
+    # Check for Git source.
+    if "vcs_info" in data and data["vcs_info"].get("vcs") == "git":
+        vcs_info = data["vcs_info"]
+        commit_hash = vcs_info.get("commit_id", "unknown")
+        repo_url = data.get("url", "unknown_repo")
+        requested_revision = vcs_info.get("requested_revision")
 
-            if requested_revision:
-                origin_str = (
-                    f"Git ({repo_url}@{requested_revision} - commit: {commit_hash})"
-                )
-            else:
-                origin_str = f"Git ({repo_url} @ {commit_hash})"
-
-            origin_metadata.update(
-                {
-                    "type": "git",
-                    "url": repo_url,
-                    "commit_hash": commit_hash,
-                    "requested_revision": requested_revision,
-                }
+        if requested_revision:
+            origin_str = (
+                f"Git ({repo_url}@{requested_revision} - commit: {commit_hash})"
             )
+        else:
+            origin_str = f"Git ({repo_url} @ {commit_hash})"
 
-            return HereticVersionInfo(
-                version=base_version,
-                origin=origin_str,
-                is_standard_pypi=False,
-                metadata=origin_metadata,
-            )
+        origin_metadata.update(
+            {
+                "type": "git",
+                "url": repo_url,
+                "commit_hash": commit_hash,
+                "requested_revision": requested_revision,
+            }
+        )
 
-        # Check for local file/wheel directory.
-        if "url" in data and data["url"].startswith("file://"):
-            origin_metadata["type"] = "local"
-            return HereticVersionInfo(
-                version=base_version,
-                origin="Local",
-                is_standard_pypi=False,
-                metadata=origin_metadata,
-            )
+        return HereticVersionInfo(
+            version=base_version,
+            origin=origin_str,
+            is_standard_pypi=False,
+            metadata=origin_metadata,
+        )
 
-    except json.JSONDecodeError:
-        pass
+    # Check for local file/wheel directory.
+    if "url" in data and data["url"].startswith("file://"):
+        origin_metadata["type"] = "local"
+
+        return HereticVersionInfo(
+            version=base_version,
+            origin="Local",
+            is_standard_pypi=False,
+            metadata=origin_metadata,
+        )
 
     return HereticVersionInfo(
         version=base_version,
@@ -234,6 +239,7 @@ def get_heretic_version_info() -> HereticVersionInfo:
 
 def get_accelerator_info_dict() -> dict[str, Any]:
     """Retrieves raw accelerator info (CUDA, ROCm, etc) directly into structured keys."""
+
     if torch.cuda.is_available():
         count = torch.cuda.device_count()
         is_rocm = getattr(torch.version, "hip", None) is not None
@@ -320,6 +326,7 @@ def get_accelerator_info_dict() -> dict[str, Any]:
 
 def get_accelerator_info(include_warnings: bool = True) -> str:
     """Convenience wrapper for hardware detection and console-friendly formatting."""
+
     info = get_accelerator_info_dict()
 
     if info["type"] is None:
@@ -350,6 +357,7 @@ def get_accelerator_info(include_warnings: bool = True) -> str:
 
 def get_cpu_info_dict() -> dict[str, str | int | None]:
     """Gets granular CPU identifiers using the py-cpuinfo library."""
+
     info = cpuinfo.get_cpu_info()
 
     return {
@@ -363,6 +371,7 @@ def get_cpu_info_dict() -> dict[str, str | int | None]:
 
 def get_cpu_info() -> str:
     """Gets the CPU brand name."""
+
     info = get_cpu_info_dict()
     parts = []
     parts.append(
@@ -397,12 +406,14 @@ def get_python_env_info_dict() -> dict[str, str]:
 
 def get_python_env_info() -> str:
     """Detects the type of Python environment (Conda, Venv, etc.) and build info."""
+
     info = get_python_env_info_dict()
     return f"{info['version']} ({info['implementation']}, {info['compiler']}) [{info['environment']}]"
 
 
 def get_package_version(name: str) -> str | None:
     """Gets the installed version of a package, stripping local suffixes like +cu128."""
+
     # Normalize name: pip considers hyphens and underscores equivalent.
     normalized_name = name.lower().replace("_", "-")
     version_str = importlib.metadata.version(normalized_name)
@@ -411,7 +422,10 @@ def get_package_version(name: str) -> str | None:
 
 def get_requirements_dict() -> dict[str, str]:
     """Recursively finds all direct and transitive dependencies of heretic-llm and core libraries."""
+
     # We start with heretic-llm and the core compute libraries.
+    # PyTorch is not listed as a dependency in the heretic-llm package
+    # because installation is hardware-specific and must be done manually.
     packages_to_check = ["heretic-llm", "torch", "torchaudio", "torchvision"]
     visited = set()
     required_packages = set()

src/heretic/utils.py

@@ -214,6 +214,7 @@ def load_prompts(
             # Path is a local directory.
             dataset = load_dataset(
                 path,
+                revision=specification.commit,
                 split=split_str,
                 # Don't require the number of examples (lines) per split to be pre-defined.
                 verification_mode=VerificationMode.NO_CHECKS,
@@ -269,12 +270,7 @@ def get_trial_parameters(trial: Trial) -> dict[str, str]:
     return params
 
 
-def get_readme_intro(
-    settings: Settings,
-    trial: Trial,
-    base_refusals: int,
-    bad_prompts: list[Prompt],
-) -> str:
+def get_readme_intro(settings: Settings, trial: Trial) -> str:
     if Path(settings.model).exists():
         # Hide the path, which may contain private information.
         model_link = "a model"
@@ -304,9 +300,9 @@ def get_readme_intro(
 | Metric | This model | Original model ({model_link}) |
 | :----- | :--------: | :---------------------------: |
 | **KL divergence** | {trial.user_attrs["kl_divergence"]:.4f} | 0 *(by definition)* |
-| **Refusals** | {trial.user_attrs["refusals"]}/{len(bad_prompts)} | {base_refusals}/{
-        len(bad_prompts)
-    } |
+| **Refusals** | {trial.user_attrs["refusals"]}/{trial.user_attrs["n_bad_prompts"]} | {
+        trial.user_attrs["base_refusals"]
+    }/{trial.user_attrs["n_bad_prompts"]} |
 
 -----
 
@@ -315,11 +311,13 @@ def get_readme_intro(
 
 def generate_config_toml(settings: Settings) -> str:
     """Serializes the full Settings object to TOML."""
+
     return tomli_w.dumps(settings.model_dump(exclude_none=True))
 
 
 def generate_requirements_txt() -> str:
     """Collects direct project dependencies as a formatted string."""
+
     requirements = get_requirements_dict()
     sorted_requirements = sorted(
         [f"{name}=={version}" for name, version in requirements.items()],
@@ -330,11 +328,30 @@ def generate_requirements_txt() -> str:
 
 def set_seed(seed: int):
     """Sets the seed for all RNGs."""
+
     random.seed(seed)
     np.random.seed(seed)
     torch.manual_seed(seed)
 
 
+def format_hf_link(
+    name: str,
+    commit: str | None = None,
+    is_dataset: bool = False,
+) -> str:
+    if Path(name).exists():
+        return f"`{name}` (Local)"
+
+    prefix = "datasets/" if is_dataset else ""
+    base_url = f"https://huggingface.co/{prefix}{name}"
+    link = f"[{name}]({base_url})"
+    if commit:
+        commit_url = f"{base_url}/commit/{commit}"
+        link += f" (Commit: [{commit[:7]}]({commit_url}))"
+
+    return link
+
+
 def generate_reproduce_readme(
     settings: Settings,
     checkpoint_filename: str,
@@ -342,7 +359,8 @@ def generate_reproduce_readme(
     timestamp: str | None = None,
     base_model_commit: str | None = None,
 ) -> str:
-    """Generates a README.md for the reproduce/ folder."""
+    """Generates the contents of a README.md for the reproduce/ folder."""
+
     torch_version = torch.__version__
     install_hint = f"pip install torch=={torch_version}"
     if "+" in torch_version:
@@ -386,20 +404,6 @@ def generate_reproduce_readme(
 > This system installed `heretic-llm` from an unknown non-standard source. **Reproducibility ***cannot*** be guaranteed in this environment.**
 """
 
-    def format_hf_link(
-        name: str, commit: str | None = None, is_dataset: bool = False
-    ) -> str:
-        if Path(name).exists():
-            return f"`{name}` (Local)"
-
-        prefix = "datasets/" if is_dataset else ""
-        base_url = f"https://huggingface.co/{prefix}{name}"
-        link = f"[{name}]({base_url})"
-        if commit:
-            commit_url = f"{base_url}/commit/{commit}"
-            link += f" (Commit: [{commit[:7]}]({commit_url}))"
-        return link
-
     model_link = format_hf_link(settings.model, base_model_commit)
     dataset_info = f"""## Dataset Information
 
@@ -475,8 +479,8 @@ This directory contains the necessary information and assets to reproduce the re
 ## Selected Trial
 
 - **Trial Number:** `#{trial.user_attrs["index"]}`
-- **Refusal Count:** `{trial.user_attrs.get("refusals")}/{trial.user_attrs.get("total_refusal_prompts")}`
-- **KL Divergence:** `{trial.user_attrs.get("kl_divergence", 0):.6f}`
+- **Refusal Count:** `{trial.user_attrs["refusals"]}/{trial.user_attrs["n_bad_prompts"]}`
+- **KL Divergence:** `{trial.user_attrs["kl_divergence"]:.6f}`
 
 ## System Environment
 
@@ -503,7 +507,7 @@ This directory contains the necessary information and assets to reproduce the re
 5. Verify the integrity of the reproduced files by comparing their SHA256 hashes against the manifest in `SHA256SUMS`.
 
 > [!TIP]
-> To use the included Optuna study journal `{checkpoint_filename}`, place it in a `checkpoints/` directory before running `heretic` on the same model.
+> To use the included Optuna study journal `{checkpoint_filename}`, place it in the checkpoints directory (usually `checkpoints/`) before running `heretic` on the same model.
 
 > [!IMPORTANT]
 > Make sure to install correct PyTorch version from: `{install_hint}`
@@ -517,48 +521,62 @@ def generate_reproduce_json(
     base_model_commit: str | None = None,
     uploaded_model_hashes: dict[str, str] | None = None,
 ) -> str:
-    """Generates a reproduce.json file for the reproduce/ folder."""
+    """Generates the contents of a reproduce.json file for the reproduce/ folder."""
+
     version_info = get_heretic_version_info()
+
     data = {
+        "version": "1",  # Version number of the reproduce.json file format, to allow for future changes.
+        "timestamp": timestamp,
+        # TODO: Remove this, it's redundant with settings!
         "base_model": {
             "id": settings.model,
-            "commit_hash": base_model_commit,
+            "commit": base_model_commit,
         },
         "system": {
-            "os": {"platform": platform.platform(), "machine": platform.machine()},
-            "cpu": get_cpu_info_dict(),
             "python": get_python_env_info_dict(),
+            "os": {
+                "platform": platform.platform(),
+                "machine": platform.machine(),
+            },
+            "cpu": get_cpu_info_dict(),
+            "accelerator": get_accelerator_info_dict(),
+        },
+        "environment": {
             "heretic": {
                 "version": version_info.version,
                 "is_standard_pypi": version_info.is_standard_pypi,
                 "metadata": version_info.metadata,
             },
             "pytorch_version": torch.__version__,
-            "accelerator": get_accelerator_info_dict(),
+            "requirements": get_requirements_dict(),
         },
-        "requirements": get_requirements_dict(),
         "settings": settings.model_dump(exclude_none=True),
-        "trial": {
-            "direction_index": trial.user_attrs.get("direction_index"),
-            "parameters": trial.user_attrs.get("parameters"),
-            "metrics": {
-                "refusals": trial.user_attrs.get("refusals"),
-                "total_refusal_prompts": trial.user_attrs.get("total_refusal_prompts"),
-                "kl_divergence": trial.user_attrs.get("kl_divergence"),
-            },
+        "parameters": {
+            "direction_index": trial.user_attrs["direction_index"],
+            "abliteration_parameters": trial.user_attrs["parameters"],
         },
-        "timestamp": timestamp,
-        "uploaded_model_hashes": uploaded_model_hashes or {},
+        "metrics": {
+            "kl_divergence": trial.user_attrs["kl_divergence"],
+            "refusals": trial.user_attrs["refusals"],
+            "base_refusals": trial.user_attrs["base_refusals"],
+            "n_bad_prompts": trial.user_attrs["n_bad_prompts"],
+        },
+        "hashes": uploaded_model_hashes or {},
     }
+
     return json.dumps(data, indent=4)
 
 
 def generate_sha256sums(hashes: dict[str, str]) -> str:
-    """Generates a GNU Coreutils compatible SHA256SUMS file content."""
+    """Generates GNU Coreutils compatible SHA256SUMS file content."""
+
     lines = []
+
     for filename, sha256 in sorted(hashes.items()):
         # Use '*' to indicate binary mode for model weights.
         lines.append(f"{sha256} *{filename}")
+
     return "\n".join(lines) + "\n"
 
 
@@ -568,7 +586,7 @@ def create_reproduce_folder(
     checkpoint_path: str | Path,
     trial: Trial,
     uploaded_model_hashes: dict[str, str] | None = None,
-) -> None:
+):
     reproduce_dir = path / "reproduce"
     reproduce_dir.mkdir(parents=True, exist_ok=True)
 
@@ -581,17 +599,10 @@ def create_reproduce_folder(
         settings.good_evaluation_prompts,
         settings.bad_evaluation_prompts,
     ]:
-        if not Path(spec.dataset).exists():
-            # Fail if the dataset is missing or unreachable.
-            spec.commit = huggingface_hub.dataset_info(spec.dataset).sha
+        spec.commit = huggingface_hub.dataset_info(spec.dataset).sha
 
-    # Fetch commit hash for the base model if it's on HF.
-    base_model_commit = None
-    if not Path(settings.model).exists():
-        try:
-            base_model_commit = huggingface_hub.model_info(settings.model).sha
-        except Exception:
-            pass
+    # Fetch commit hash for the base model.
+    base_model_commit = huggingface_hub.model_info(settings.model).sha
 
     # Strip microseconds and timezone for a clean format.
     timestamp = (
@@ -599,10 +610,12 @@ def create_reproduce_folder(
     )
 
     (reproduce_dir / "config.toml").write_text(
-        generate_config_toml(settings), encoding="utf-8"
+        generate_config_toml(settings),
+        encoding="utf-8",
     )
     (reproduce_dir / "requirements.txt").write_text(
-        generate_requirements_txt(), encoding="utf-8"
+        generate_requirements_txt(),
+        encoding="utf-8",
     )
     (reproduce_dir / "README.md").write_text(
         generate_reproduce_readme(
@@ -616,7 +629,8 @@ def create_reproduce_folder(
     )
     if uploaded_model_hashes:
         (reproduce_dir / "SHA256SUMS").write_text(
-            generate_sha256sums(uploaded_model_hashes), encoding="utf-8"
+            generate_sha256sums(uploaded_model_hashes),
+            encoding="utf-8",
         )
     (reproduce_dir / "reproduce.json").write_text(
         generate_reproduce_json(
@@ -641,22 +655,24 @@ def upload_reproduce_folder(
     token: str,
     checkpoint_path: str | Path,
     trial: Trial,
-) -> None:
+):
+    api = huggingface_hub.HfApi()
+    info = api.model_info(repo_id=repo_id, files_metadata=True, token=token)
+
+    if not info.siblings:
+        raise RuntimeError("Could not fetch uploaded model hashes.")
+
+    # For weights, we only care about safetensors.
+    weight_extensions = (".safetensors",)
+
     uploaded_model_hashes = {}
-    try:
-        api = huggingface_hub.HfApi()
-        info = api.model_info(repo_id=repo_id, files_metadata=True, token=token)
-        # For weights, we only care about safetensors.
-        weight_extensions = (".safetensors",)
-        if info.siblings is not None:
-            for file in info.siblings:
-                if file.rfilename.endswith(weight_extensions):
-                    sha256 = getattr(file, "lfs", {}).get("sha256")
-                    if sha256:
-                        uploaded_model_hashes[file.rfilename] = sha256
-    except Exception as e:
-        # Fail if integrity checks cannot be completed.
-        raise RuntimeError(f"Could not fetch uploaded model hashes: {e}") from e
+
+    for file in info.siblings:
+        if file.rfilename.endswith(weight_extensions):
+            sha256 = getattr(file, "lfs", {}).get("sha256")
+            if not sha256:
+                raise RuntimeError("Could not fetch uploaded model hashes.")
+            uploaded_model_hashes[file.rfilename] = sha256
 
     with tempfile.TemporaryDirectory() as tmpdir:
         tmp_path = Path(tmpdir)