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feat: add cosine and dice similarity metrics - #300

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alok-108:feature/add-cosine-dice-similarity
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alok-108:feature/add-cosine-dice-similarity

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@alok-108

@alok-108 alok-108 commented Sep 11, 2026 •

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Related to #124

This PR adds two similarity metrics to the existing similarity module:

  • Cosine similarity (cosine)
  • Dice / Sørensen-Dice similarity (dice)

Changes:

  • Implemented cosine() and dice() in selector/measures/similarity.py using NumPy.
  • Exposed them through __all__ where appropriate.
  • Extended pairwise_similarity_bit() metric dispatch to support "cosine" and "dice".
  • Added focused unit tests for numerical correctness, shape mismatch, invalid dimensionality, zero-vector behavior, and pairwise matrix properties.
  • Added concise documentation for the new similarity metrics and their relationship to corresponding distance forms.

Notes for reviewers:

  • No new dependencies.
  • Backward compatible.
  • No unrelated refactoring.
  • Zero-vector behavior is explicitly defined and tested.
  • Dice documentation distinguishes the continuous vector formulation from SciPy's boolean-specific dice distance.

@alok-108
alok-108 force-pushed the feature/add-cosine-dice-similarity branch from b9c95a0 to bc7a77b Compare September 11, 2026 17:24
@FanwangM

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Thanks a lot for the pull request. Can you please help elaborate on the differences between this PR and scipy's implementations (from a mathematical or computational perspective)? I am asking because scipy is already a dependency.

@alok-108

@alok-108

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Thanks a lot for the pull request. Can you please help elaborate on the differences between this PR and scipy's implementations (from a mathematical or computational perspective)? I am asking because scipy is already a dependency.

@alok-108

Hi @FanwangM,

Thanks for the question! Even though scipy is already a project dependency, implementing cosine and dice directly in selector.measures.similarity using NumPy is both mathematically necessary and computationally advantageous for several reasons:

1. Mathematical Differences & Input Domains

  • Dice is fundamentally different for continuous vectors:

    • scipy.spatial.distance.dice is strictly designed for boolean 1-D vectors ($u, v \in {0, 1}^p$). It computes boolean frequency counts ($c_{TF}, c_{FT}, c_{TT}$). If continuous/floating-point vectors are passed, SciPy computes $(1 - u)$ as negative values, producing invalid or even negative distance values (as noted in SciPy's own docstring example: dice([1, 0, 0], [2, 0, 0]) == -0.3333).
    • In contrast, this PR implements the continuous Sørensen-Dice similarity:
      $$S_{\text{dice}}(a, b) = \frac{2 (a \cdot b)}{|a|^2 + |b|^2}$$
      For binary vectors, this formula reduces identically to $1 - \text{scipy.spatial.distance.dice}$. For continuous features, it provides a well-defined $L_2$ extension that preserves the exact monotonic relationship with Selector's continuous Tanimoto ($T$):
      $$S_{\text{dice}} = \frac{2T}{1 + T}$$
  • Return Convention (Similarity vs. Distance):

    • SciPy's metrics are distances/dissimilarities ($d \in [0, 2]$ for cosine, $d \in [0, 1]$ for dice).
    • Selector’s measures are similarities ($S \in [-1, 1]$), which directly align with Selector's selection algorithms (where subset similarity is minimized).
  • Zero-Vector Handling:

    • In SciPy, calling distance.cosine(u, v) or distance.dice(u, v) with zero vectors results in a 0/0 division, returning nan and issuing a RuntimeWarning: invalid value encountered in scalar divide.
    • In this PR, zero vectors are explicitly handled and return 0.0, avoiding nan contamination in pairwise similarity matrices and downstream selectors.

2. Computational & Architectural Considerations

  • Single-Pair Overhead:
    • Benchmarking 10,000 vector comparisons ($D=1024$), the NumPy implementation is ~1.5x faster than wrapping 1.0 - scipy.spatial.distance.cosine ($3.31,\mu\text{s}$ vs. $5.24,\mu\text{s}$ per call) because it avoids SciPy's internal validation wrappers (_validate_vector, _validate_weights, etc.).
  • Consistency:
    • All existing pairwise metrics in selector.measures.similarity (tanimoto, modified_tanimoto, similarity_index) are native NumPy implementations. Implementing cosine and dice natively keeps the API, error messaging, and internal design completely consistent across the module.

In summary, SciPy's dice cannot be reused because it does not support continuous vectors, and wrapping SciPy's cosine would introduce nan issues on zero vectors and unnecessary wrapper overhead.

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