arrowspace_tuner 0.2.0__py3-none-any.whl

arrowspace_tuner/__init__.py

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+"""
+arrowspace_tuner — hyperparameter discovery for ArrowSpace.
+
+Quickstart
+----------
+    import numpy as np
+    import arrowspace_tuner as arrowspace
+
+    embeddings = np.load("corpus.npy")
+
+    # one-liner: auto-discover eps, k, tau
+    aspace, gl = arrowspace.optuna(embeddings)
+
+    # power-user: full control + post-run inspection
+    from arrowspace_tuner import EpsTuner
+
+    tuner = EpsTuner(n_trials=100, sample_n=10_000, eps_low=0.5, eps_high=3.0)
+    aspace, gl = tuner.fit(embeddings)
+    print(tuner.best_params)    # {"eps": 1.2, "k": 14, "tau": 0.8}
+    print(tuner.best_score)
+    tuner.save_report()         # requires pip install arrowspace-tuner[report]
+"""
+from .api import optuna
+
+# Power-user exports: config dataclasses for advanced customisation
+from .core import BuildParams, StudyConfig
+from .tuner import EpsTuner
+
+__version__ = "0.1.0"
+
+__all__ = [
+    # primary public API
+    "optuna",
+    "EpsTuner",
+    # config — for power users
+    "BuildParams",
+    "StudyConfig",
+    # version
+    "__version__",
+]

arrowspace_tuner/api.py

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+"""
+api.py — one-liner convenience function for hyperparameter discovery.
+
+This module exists solely to satisfy the acceptance criteria:
+
+    aspace, gl = arrowspace.optuna(embeddings)
+
+It is a thin shim over EpsTuner with sensible defaults.
+For any non-trivial use case, instantiate EpsTuner directly.
+"""
+from __future__ import annotations
+
+import numpy as np
+
+from .core.config import _DEFAULT_N_TRIALS
+from .tuner import EpsTuner
+
+
+def optuna(
+    embeddings: np.ndarray,
+    *,
+    n_trials:   int        = _DEFAULT_N_TRIALS,
+    sample_n:   int | None = 5_000,
+    seed:       int        = 54,
+    study_name: str        = "arrowspace_fstar",
+    storage:    str | None = None,
+    eps_low:    float      = 0.3,
+    eps_high:   float      = 4.0,
+    k_low:      int        = 3,
+    k_high:     int        = 40,
+    tau_low:    float      = 0.1,
+    tau_high:   float      = 1.0,
+    n_probe:    int        = 50,
+) -> tuple[object, object]:
+    """
+    Auto-discover eps, k, and tau and return a ready-to-use (aspace, gl) pair.
+
+    This is the simplest entry point to arrowspace_tuner. It runs an Optuna
+    study with default settings and returns the ArrowSpace index built with
+    the best hyperparameters found.
+
+    Defaults are tuned for speed on large corpora (> 50k items):
+    - sample_n=5_000 gives a 33x speedup over full-corpus trials with
+      identical best params found (validated on a 50k CVE corpus).
+    - n_probe=50 is sufficient to rank parameter regions reliably.
+    - The final build after the study always uses the full corpus.
+
+    Parameters
+    ----------
+    embeddings : np.ndarray
+        Shape (N, D) float64 corpus embeddings.
+    n_trials : int
+        Number of Optuna trials. Default 15.
+    sample_n : int | None
+        Subsample size per trial. Default 5_000. None = full corpus.
+        Recommended for large corpora (> 50k items).
+    seed : int
+        Random seed for reproducibility.
+    study_name : str
+        Optuna study identifier.
+    storage : str | None
+        Optuna storage URI for persistence. None = in-memory.
+        Use "sqlite:///tune.db" to resume interrupted runs.
+    eps_low, eps_high : float
+        Log-scale search bounds for eps.
+    k_low, k_high : int
+        Search bounds for k.
+    tau_low, tau_high : float
+        Search bounds for tau.
+    n_probe : int
+        Number of anchor queries per trial for the MRR proxy. Default 50.
+
+    Returns
+    -------
+    aspace : ArrowSpace
+        ArrowSpace index built with the best hyperparameters found.
+    gl : GraphLaplacian
+        Corresponding graph Laplacian.
+
+    Examples
+    --------
+    Minimal usage — matches the acceptance criteria exactly:
+
+        import numpy as np
+        import arrowspace_tuner as arrowspace
+
+        embeddings = np.load("corpus.npy")
+        aspace, gl = arrowspace.optuna(embeddings)
+
+        results = aspace.search(query_embedding, gl, tau=0.8)
+
+    With a custom search range:
+
+        aspace, gl = arrowspace.optuna(
+            embeddings,
+            n_trials=30,
+            sample_n=10_000,
+            eps_low=0.5,
+            eps_high=3.0,
+        )
+
+    Inspecting the study after the fact:
+
+        from arrowspace_tuner import EpsTuner
+
+        tuner = EpsTuner(n_trials=15, sample_n=5_000)
+        aspace, gl = tuner.fit(embeddings)
+        print(tuner.best_params)
+        tuner.save_report()
+
+    Resuming an interrupted run:
+
+        aspace, gl = arrowspace.optuna(
+            embeddings,
+            storage="sqlite:///tune.db",
+        )
+    """
+    tuner = EpsTuner(
+        n_trials   = n_trials,
+        sample_n   = sample_n,
+        seed       = seed,
+        study_name = study_name,
+        storage    = storage,
+        eps_low    = eps_low,
+        eps_high   = eps_high,
+        k_low      = k_low,
+        k_high     = k_high,
+        tau_low    = tau_low,
+        tau_high   = tau_high,
+        n_probe    = n_probe,
+    )
+    return tuner.fit(embeddings)

arrowspace_tuner/core/__init__.py

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+"""
+arrowspace_tuner.core — internal building blocks.
+
+This subpackage is not part of the public API.
+Import from arrowspace_tuner directly:
+
+    from arrowspace_tuner import EpsTuner, optuna
+    from arrowspace_tuner import StudyConfig, BuildParams  # for power users
+"""
+from .config import BuildParams, StudyConfig
+from .graph import fiedler_normalized, gl_to_scipy
+from .objective import build_and_score, make_objective
+
+__version__ = "0.1.0"
+
+__all__ = [
+    # config
+    "BuildParams",
+    "StudyConfig",
+    # graph
+    "fiedler_normalized",
+    "gl_to_scipy",
+    # objective
+    "build_and_score",
+    "make_objective",
+]

arrowspace_tuner/core/config.py

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+from __future__ import annotations
+
+from dataclasses import dataclass
+from typing import Any
+
+# Single source of truth for the default number of trials.
+# Referenced by StudyConfig, EpsTuner.__init__, and api.optuna().
+_DEFAULT_N_TRIALS: int = 15
+
+
+@dataclass
+class BuildParams:
+    """
+    Parameters passed to ArrowSpaceBuilder for a single trial build.
+
+    Attributes
+    ----------
+    eps : float
+        Neighbourhood radius for graph construction.
+        Primary hyperparameter being optimised.
+    k : int
+        Number of nearest neighbours used when building the graph.
+    topk : int
+        Number of results returned by search. Automatically set to k // 2
+        during optimisation; can be overridden for the final build.
+    p : float
+        Minkowski distance exponent (2.0 = Euclidean).
+    sigma : float | None
+        Optional Gaussian kernel bandwidth. None = auto.
+    max_clusters : int
+        Upper bound on the number of clusters fed to the builder.
+    cluster_radius : float
+        Squared L2 threshold for cluster creation.
+    sampling_rate : float
+        Fraction of embeddings used per trial build (1.0 = all).
+    """
+
+    eps:            float        = 0.8
+    k:              int          = 10
+    topk:           int          = 5
+    p:              float        = 2.0
+    sigma:          float | None = None
+    max_clusters:   int          = 5000
+    cluster_radius: float        = 0.42
+    sampling_rate:  float        = 1.0
+
+    def to_dict(self) -> dict[str, Any]:
+        """Return graph_params dict expected by ArrowSpaceBuilder.build()."""
+        return {
+            "eps":   self.eps,
+            "k":     self.k,
+            "topk":  self.topk,
+            "p":     self.p,
+            "sigma": self.sigma,
+        }
+
+
+@dataclass
+class StudyConfig:
+    """
+    Configuration for the Optuna study loop.
+
+    Attributes
+    ----------
+    n_trials : int
+        Number of Optuna trials to run. Default: 15.
+    sample_n : int | None
+        Subsample this many embeddings per trial for speed.
+        None = use all embeddings every trial.
+        Recommended: 5_000 for corpora > 50k items (33x speedup,
+        identical best params found vs full-corpus run).
+    seed : int
+        Random seed for reproducibility.
+    study_name : str
+        Optuna study identifier. Used as folder name in reporter output.
+    storage : str | None
+        Optuna storage URL (e.g. "sqlite:///optuna.db"). None = in-memory.
+    n_jobs : int
+        Number of parallel workers for study.optimize(). Default: 1 (serial).
+        Set to -1 to use all available CPU cores, or any positive integer.
+
+        Threading safety note: Optuna n_jobs > 1 runs each trial in a
+        separate thread sharing the same Python process. The objective
+        closure itself is stateless (captures read-only numpy arrays), so
+        it is thread-safe. However, parallelism is only safe if the
+        underlying ArrowSpace Rust extension is thread-safe under concurrent
+        .build() calls. Verify this before setting n_jobs > 1 in production.
+
+        Reproducibility note: with n_jobs > 1 and TPESampler the trial
+        execution order is non-deterministic, so best_params may differ
+        across runs even with the same seed. Use n_jobs=1 for reproducible
+        comparisons.
+
+    Search space — graph structure
+    ------------------------------
+    eps_low, eps_high : float
+        Log-scale bounds for eps search.
+    k_low, k_high : int
+        Bounds for k (nearest neighbours) search.
+
+    Search space — retrieval
+    ------------------------
+    tau_low, tau_high : float
+        Bounds for tau search. tau controls the ArrowSpace search
+        temperature passed to search_batch(). Optimising tau alongside
+        eps and k ensures the graph is evaluated at its best retrieval
+        operating point, not an arbitrary fixed tau.
+
+    MRR proxy
+    ---------
+    n_probe : int
+        Number of corpus items used as query anchors per trial when
+        computing the spectral MRR-Top0 proxy. Scales search_batch cost
+        linearly — 50 probes gives ~14% MRR standard error, which is
+        more than adequate for ranking trials. Use 200 only for a final
+        high-accuracy evaluation where trial speed is not a concern.
+    """
+
+    n_trials:   int          = _DEFAULT_N_TRIALS
+    sample_n:   int | None   = None
+    seed:       int          = 54
+    study_name: str          = "arrowspace_tuner"
+    storage:    str | None   = None
+    n_jobs:     int          = 1
+
+    # Search space — graph
+    eps_low:  float = 0.3
+    eps_high: float = 4.0
+    k_low:    int   = 3
+    k_high:   int   = 40
+
+    # Search space — retrieval
+    tau_low:  float = 0.1
+    tau_high: float = 1.0
+
+    # MRR proxy — 50 gives ~14% s.e., adequate for trial ranking (was 200)
+    n_probe:  int   = 50
+    max_clusters:   int   = 50
+    cluster_radius: float = 0.5

arrowspace_tuner/core/graph.py

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+from __future__ import annotations
+
+import logging
+from collections.abc import Sequence
+from typing import Protocol
+
+import numpy as np
+import scipy.sparse as sp
+import scipy.sparse.linalg as spla
+
+logger = logging.getLogger(__name__)
+
+
+class PyGraphLaplacian(Protocol):
+    """
+    Structural protocol matching the PyGraphLaplacian type exposed by the
+    ArrowSpace Rust extension (arrowspace._arrowspace.PyGraphLaplacian).
+
+    Declaring it here as a Protocol lets mypy check call-sites without
+    importing the extension at type-check time, which is correct because
+    the Rust wheel may not be present in the type-checking environment.
+    """
+
+    def to_csr(self) -> tuple[Sequence[float], Sequence[int], Sequence[int]]:
+        """Return (data, indices, indptr) arrays for CSR construction."""
+        ...
+
+    def shape(self) -> tuple[int, int]:
+        """Return (nrows, ncols) of the Laplacian matrix."""
+        ...
+
+
+def gl_to_scipy(gl: PyGraphLaplacian) -> sp.csr_matrix:
+    """
+    Convert a PyGraphLaplacian (from the ArrowSpace Rust extension) to a
+    SciPy CSR sparse matrix.
+
+    Parameters
+    ----------
+    gl : PyGraphLaplacian
+        The graph Laplacian returned by ArrowSpaceBuilder.build().
+
+    Returns
+    -------
+    sp.csr_matrix
+        The Laplacian as a SciPy sparse matrix, ready for eigendecomposition.
+    """
+    raw = gl.to_csr()          # returns (data, indices, indptr, shape)
+    shape = gl.shape()
+    data    = np.asarray(raw[0], dtype=np.float64)
+    indices = np.asarray(raw[1], dtype=np.int32)
+    indptr  = np.asarray(raw[2], dtype=np.int32)
+    return sp.csr_matrix((data, indices, indptr), shape=shape)
+
+
+def fiedler_normalized_from_csr(L: sp.csr_matrix, nnz: int) -> float:
+    """
+    Compute the normalised Fiedler value (λ₂) from a pre-built SciPy CSR
+    Laplacian matrix.
+
+    This is the hot path called from build_and_score. The caller is
+    responsible for building L and computing nnz from a single gl.to_csr()
+    call, avoiding redundant FFI roundtrips (#10).
+
+    Eigenvalue strategy
+    -------------------
+    N ≤ 5_000 : dense path via np.linalg.eigvalsh.
+        Always converges, zero ARPACK overhead, fastest at this scale.
+        Covers the sample_n=5_000 default path entirely.
+    N > 5_000 : shift-invert ARPACK (sigma=0.0, which="LM").
+        Finds the largest eigenvalues of L^{-1}, equivalent to the
+        smallest eigenvalues of L. 5–20× faster than which="SM" and
+        far more numerically stable.
+        tol=1e-4 is sufficient because the Fiedler value feeds into
+        log1p() — 4 significant digits is more than adequate.
+
+    Parameters
+    ----------
+    L : sp.csr_matrix
+        Pre-built normalised Laplacian (caller's responsibility).
+    nnz : int
+        Number of non-zero entries (already computed by caller).
+
+    Returns
+    -------
+    float
+        λ₂ ∈ [0, 1]. Returns 0.0 on degenerate/disconnected graphs
+        and on any numerical failure.
+    """
+    try:
+        n = L.shape[0]
+
+        # Degenerate guard: fewer edges than nodes → nearly empty graph
+        if nnz <= n:
+            logger.warning(
+                "Degenerate graph NNZ=%d <= N=%d — returning 0.0", nnz, n
+            )
+            return 0.0
+
+        # Normalise: L_norm = D^{-1/2} L D^{-1/2}
+        diag       = np.array(L.diagonal(), dtype=np.float64)
+        safe_diag  = np.where(diag > 1e-12, diag, 1e-12)
+        d_inv_sqrt = sp.diags(1.0 / np.sqrt(safe_diag))
+        L_norm     = d_inv_sqrt @ L @ d_inv_sqrt
+
+        # ── eigenvalue computation ──────────────────────────────────────────
+        if n <= 5_000:
+            all_vals = np.linalg.eigvalsh(L_norm.toarray())
+            vals = all_vals[:2]
+        else:
+            vals = spla.eigsh(
+                L_norm,
+                k=2,
+                sigma=0.0,
+                which="LM",
+                return_eigenvectors=False,
+                tol=1e-4,
+                maxiter=500,
+            )
+
+        fiedler = max(0.0, float(sorted(np.real(vals))[1]))
+
+        logger.debug(
+            "fiedler_normalized: λ₂=%.6f  NNZ=%d  N=%d  path=%s",
+            fiedler, nnz, n, "dense" if n <= 5_000 else "shift-invert",
+        )
+        return fiedler
+
+    except Exception as exc:
+        logger.warning("fiedler_normalized failed: %s", exc, exc_info=True)
+        return 0.0
+
+
+def fiedler_normalized(gl: PyGraphLaplacian) -> float:
+    """
+    Public wrapper: compute the normalised Fiedler value from a raw
+    PyGraphLaplacian. Calls gl.to_csr() once internally.
+
+    Prefer fiedler_normalized_from_csr() in hot paths where the CSR
+    matrix has already been materialised to avoid a redundant FFI call.
+
+    Parameters
+    ----------
+    gl : PyGraphLaplacian
+        The graph Laplacian returned by ArrowSpaceBuilder.build().
+
+    Returns
+    -------
+    float
+        λ₂ ∈ [0, 1].
+    """
+    raw     = gl.to_csr()
+    shape   = gl.shape()
+    data    = np.asarray(raw[0], dtype=np.float64)
+    indices = np.asarray(raw[1], dtype=np.int32)
+    indptr  = np.asarray(raw[2], dtype=np.int32)
+    L       = sp.csr_matrix((data, indices, indptr), shape=shape)
+    nnz     = len(data)
+    return fiedler_normalized_from_csr(L, nnz)