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Hierarchical Variance-Retaining Transformer (HVRT) — variance-aware sample transformation for tabular data

Project description

HVRT: Hierarchical Variance-Retaining Transformer

PyPI version Python 3.8+ License: AGPL v3

Variance-aware sample transformation for tabular data: reduce, expand, or augment.


Overview

HVRT partitions a dataset into variance-homogeneous regions via a decision tree fitted on a synthetic extremeness target, then applies a configurable per-partition operation (selection for reduction, sampling for expansion). The tree is fitted once; reduce(), expand(), and augment() all draw from the same fitted model.

Operation Method Description
Reduce model.reduce(ratio=0.3) Select a geometrically diverse representative subset
Expand model.expand(n=50000) Generate synthetic samples via per-partition KDE or other strategy
Augment model.augment(n=15000) Concatenate original data with synthetic samples

Algorithm

1. Z-score normalisation

X_z = (X - μ) / σ   per feature

Categorical features are integer-encoded then z-scored.

2. Synthetic target construction

HVRT — sum of normalised pairwise feature interactions:

For all feature pairs (i, j):
  interaction = X_z[:,i] ⊙ X_z[:,j]
  normalised  = (interaction - mean) / std
target = sum of all normalised interaction columns        O(n · d²)

FastHVRT — sum of z-scores per sample:

target_i = Σ_j  X_z[i, j]                               O(n · d)

3. Partitioning

A DecisionTreeRegressor is fitted on the synthetic target. Leaves form variance-homogeneous partitions. Tree depth and leaf size are auto-tuned to dataset size.

4. Per-partition operations

Reduce: Select representatives within each partition using the chosen selection strategy. Budget is proportional to partition size (variance_weighted=False) or biased toward high-variance partitions (variance_weighted=True).

Expand: Draw synthetic samples within each partition using the chosen generation strategy. Budget allocation follows the same logic.


Installation

pip install hvrt
git clone https://github.com/hotprotato/hvrt.git
cd hvrt
pip install -e .

Quick Start

from hvrt import HVRT, FastHVRT

# Fit once — reduce and expand from the same model
model = HVRT(random_state=42).fit(X_train, y_train)   # y optional
X_reduced, idx = model.reduce(ratio=0.3, return_indices=True)
X_synthetic    = model.expand(n=50000)
X_augmented    = model.augment(n=15000)

# FastHVRT — O(n·d) target; preferred for expansion
model = FastHVRT(random_state=42).fit(X_train)
X_synthetic = model.expand(n=50000)

API Reference

HVRT

from hvrt import HVRT

model = HVRT(
    n_partitions=None,           # Max tree leaves; auto-tuned if None
    min_samples_leaf=None,       # Min samples per leaf; auto-tuned if None
    y_weight=0.0,                # 0.0 = unsupervised; 1.0 = y drives splits
    bandwidth='auto',            # KDE bandwidth: 'auto' (default), float, 'scott', 'silverman'
    auto_tune=True,
    random_state=42,
    # Pipeline params (see Pipeline section)
    reduce_params=None,
    expand_params=None,
    augment_params=None,
)

Target: sum of normalised pairwise feature interactions. O(n · d²). Preferred for reduction.

FastHVRT

from hvrt import FastHVRT

model = FastHVRT(bandwidth='auto', random_state=42)

Target: sum of z-scores. O(n · d). Equivalent quality to HVRT for expansion. All constructor parameters identical to HVRT.

HVRTOptimizer

Requires: pip install hvrt[optimizer]

from hvrt import HVRTOptimizer

opt = HVRTOptimizer(
    n_trials=30,             # Optuna trials; use ≥50 in production
    n_jobs=1,                # Parallel trials (-1 = all cores)
    cv=3,                    # Cross-validation folds for the objective
    expansion_ratio=5.0,     # Synthetic-to-real ratio during evaluation
    task='auto',             # 'auto', 'regression', 'classification'
    timeout=None,            # Wall-clock time limit in seconds
    random_state=None,
    verbose=0,               # 0 = silent, 1 = Optuna trial progress
)
opt = opt.fit(X, y)          # y enables TSTR Δ objective; required for classification

Performs TPE-based Bayesian optimisation over n_partitions, min_samples_leaf, y_weight, kernel / bandwidth, and variance_weighted. The HVRT defaults are always evaluated as trial 0 (warm start), so HPO can only match or improve on the baseline.

Post-fit attributes:

Attribute Type Description
best_score_ float Best mean TSTR Δ across CV folds
best_params_ dict Best constructor kwargs (n_partitions, min_samples_leaf, y_weight, bandwidth)
best_expand_params_ dict Best expand kwargs (variance_weighted, optionally generation_strategy)
best_model_ HVRT Refitted on the full dataset using best_params_
study_ optuna.Study Full Optuna study for visualisation and diagnostics

After fitting:

opt = HVRTOptimizer(n_trials=50, n_jobs=4, cv=3, random_state=42).fit(X, y)
print(f'Best TSTR Δ: {opt.best_score_:+.4f}')
print(f'Best params: {opt.best_params_}')

X_synth = opt.expand(n=50000)         # y column stripped automatically
X_aug   = opt.augment(n=len(X) * 5)   # originals + synthetic

expand() and augment() strip the appended y column, returning arrays with the same number of columns as the training X.

fit

model.fit(X, y=None, feature_types=None)
# feature_types: list of 'continuous' or 'categorical' per column

reduce

X_reduced = model.reduce(
    n=None,                  # Absolute target count
    ratio=None,              # Proportional (e.g. 0.3 = keep 30%)
    method='fps',            # Selection strategy; see Selection Strategies
    variance_weighted=True,  # Oversample high-variance partitions
    return_indices=False,
    n_partitions=None,       # Override tree granularity for this call only
)

expand

X_synth = model.expand(
    n=10000,
    variance_weighted=False,      # True = oversample tails
    bandwidth=None,               # Override instance bandwidth; accepts float, 'auto', 'scott'
    adaptive_bandwidth=False,     # Scale bandwidth with local expansion ratio
    generation_strategy=None,     # See Generation Strategies
    return_novelty_stats=False,
    n_partitions=None,
)

adaptive_bandwidth=True uses per-partition bandwidth bw_p = scott_p × max(1, budget_p/n_p)^(1/d).

augment

X_aug = model.augment(n=15000, variance_weighted=False)
# n must exceed len(X); returns original X concatenated with (n - len(X)) synthetic samples

Utility methods

partitions = model.get_partitions()
# [{'id': 5, 'size': 120, 'mean_abs_z': 0.84, 'variance': 1.2}, ...]

novelty = model.compute_novelty(X_new)   # min z-space distance per point

params = HVRT.recommend_params(X)        # {'n_partitions': 180, ...}

sklearn Pipeline

Operation parameters are declared at construction time via ReduceParams, ExpandParams, or AugmentParams. The tree is fitted once during fit(); transform() calls the corresponding operation.

from hvrt import HVRT, FastHVRT, ReduceParams, ExpandParams, AugmentParams
from sklearn.pipeline import Pipeline

# Reduce
pipe = Pipeline([('hvrt', HVRT(reduce_params=ReduceParams(ratio=0.3)))])
X_red = pipe.fit_transform(X, y)

# Expand
pipe = Pipeline([('hvrt', FastHVRT(expand_params=ExpandParams(n=50000)))])
X_synth = pipe.fit_transform(X)

# Augment
pipe = Pipeline([('hvrt', HVRT(augment_params=AugmentParams(n=15000)))])
X_aug = pipe.fit_transform(X)

Alternatively, import from hvrt.pipeline to make the intent explicit:

from hvrt.pipeline import HVRT, ReduceParams

ReduceParams

ReduceParams(
    n=None,
    ratio=None,              # e.g. 0.3
    method='fps',
    variance_weighted=True,
    return_indices=False,
    n_partitions=None,
)

ExpandParams

ExpandParams(
    n=50000,                 # required
    variance_weighted=False,
    bandwidth=None,
    adaptive_bandwidth=False,
    generation_strategy=None,
    return_novelty_stats=False,
    n_partitions=None,
)

AugmentParams

AugmentParams(
    n=15000,                 # required; must exceed len(X)
    variance_weighted=False,
    n_partitions=None,
)

Generation Strategies

from hvrt import FastHVRT, epanechnikov, univariate_kde_copula

model = FastHVRT(random_state=42).fit(X)

# By name (preferred)
X_synth = model.expand(n=10000, generation_strategy='epanechnikov')

# By reference
X_synth = model.expand(n=10000, generation_strategy=univariate_kde_copula)

# Custom strategy — implement StatefulGenerationStrategy
from hvrt import StatefulGenerationStrategy, PartitionContext
import numpy as np

class MyStrategy:
    def prepare(self, X_z, partition_ids, unique_partitions):
        # precompute partition metadata once
        ...
        return PartitionContext(X_z=X_z, ...)   # or a PartitionContext subclass

    def generate(self, context, budgets, random_state):
        ...
        return X_synthetic   # shape (sum(budgets), n_features), z-score space

X_synth = model.expand(n=10000, generation_strategy=MyStrategy())
Strategy Behaviour Throughput (5K→25K, d=10) Notes
'multivariate_kde' Gaussian KDE via batch Cholesky (pure NumPy). Captures full joint covariance. 2.3M samples/s Default when partitions are large
'epanechnikov' Product Epanechnikov kernel, Ahrens-Dieter sampling. Bounded support. 2.6M samples/s Recommended for classification; ≥5× ratios
'bootstrap_noise' Resample with replacement + Gaussian noise at 10% of per-feature std. 4.3M samples/s Fastest; no distributional assumptions
'univariate_kde_copula' Per-feature 1-D KDE marginals + Gaussian copula. CDF grids precomputed at fit(). ~1M samples/s More flexible per-feature marginals

All four built-in strategies implement StatefulGenerationStrategy: partition metadata is precomputed once in prepare() (called at fit() time when the strategy is declared) and reused across repeated expand() calls.

from hvrt import BUILTIN_GENERATION_STRATEGIES
list(BUILTIN_GENERATION_STRATEGIES)
# ['multivariate_kde', 'univariate_kde_copula', 'bootstrap_noise', 'epanechnikov']

Selection Strategies

from hvrt import HVRT

model = HVRT(random_state=42).fit(X, y)

# By name (preferred)
X_red = model.reduce(ratio=0.2, method='fps')             # default
X_red = model.reduce(ratio=0.2, method='medoid_fps')
X_red = model.reduce(ratio=0.2, method='variance_ordered')
X_red = model.reduce(ratio=0.2, method='stratified')

# By reference (module-level singleton)
from hvrt import centroid_fps, variance_ordered
X_red = model.reduce(ratio=0.2, method=variance_ordered)

# Custom strategy — implement StatefulSelectionStrategy
from hvrt import StatefulSelectionStrategy, SelectionContext
import numpy as np

class MySelector:
    def prepare(self, X_z, partition_ids, unique_partitions):
        # precompute partition metadata once (cached at fit() time)
        from hvrt.reduction_strategies import _build_selection_context
        return _build_selection_context(X_z, partition_ids, unique_partitions)

    def select(self, context, budgets, random_state, n_jobs=1):
        # context.sort_idx, context.part_starts, context.part_sizes available
        ...
        return selected_indices   # global indices into X_z

X_red = model.reduce(ratio=0.2, method=MySelector())
Strategy Behaviour Notes
'fps' / 'centroid_fps' Greedy FPS seeded at partition centroid. Default. Best general-purpose diversity
'medoid_fps' FPS seeded at partition medoid. Robust to outliers; slightly slower
'variance_ordered' Highest local k-NN variance (k=10). 23–37× faster with n_jobs=-1 at large n
'stratified' Fully-vectorised random sample. 2.5–3× faster than loop; best for repeated reduce()

All four built-in strategies implement StatefulSelectionStrategy: partition metadata is precomputed once in prepare() (eagerly at fit() time when declared via reduce_params.method) and cached across repeated reduce() calls. The model's n_jobs is forwarded to select() automatically.

from hvrt import BUILTIN_STRATEGIES
list(BUILTIN_STRATEGIES)
# ['centroid_fps', 'fps', 'medoid_fps', 'variance_ordered', 'stratified']

Memory-conscious large-data workflow: FPS strategies dispatch partitions to loky workers independently, keeping per-worker memory O(partition size) regardless of total dataset size. Enable with n_jobs=-1:

model = HVRT(n_jobs=-1).fit(X_large)          # n_jobs forwarded to select()
X_red = model.reduce(ratio=0.1, method='fps') # parallel FPS, bounded memory per worker

Recommendations

Findings from a systematic bandwidth and kernel benchmark across 6 datasets, 3 expansion ratios (2×/5×/10×), and 11 methods (see benchmarks/bandwidth_benchmark.py and findings.md).

bandwidth='auto' — the default

bandwidth='auto' is the default and requires no tuning for most datasets. At each expand() call it inspects the fitted partition structure and picks the kernel most likely to produce high-quality synthetic data:

model = HVRT().fit(X)          # bandwidth='auto' by default
X_synth = model.expand(n=50000)  # auto chooses at call-time

How it decides:

At call-time, 'auto' computes the mean number of samples per partition and compares it against a feature-scaled threshold: max(15, 2 × n_continuous_features).

Condition Chosen kernel Reason
mean partition size threshold Narrow Gaussian h=0.1 Enough samples for stable multivariate covariance estimation; tight kernel stays within partition geometry
mean partition size < threshold Epanechnikov product kernel Too few samples for reliable covariance; product kernel requires no covariance matrix and bounded support keeps samples within the local region

The threshold scales with dimensionality because the minimum samples needed for a non-degenerate d-dimensional covariance matrix grows with d. At 5 features the threshold is 15; at 15 features it is 30.

Why not just always use one or the other:

Benchmarking across 4 regression datasets showed a clean crossover depending on partition size. With the default auto-tuned partition count (typically 15–20 partitions at n=500), partitions hold ~25 samples and narrow Gaussian wins on TSTR. But when partitions are finer — either because the dataset is large and the auto-tuner produces more leaves, or because n_partitions is manually increased — Gaussian KDE degrades as partitions become too small for stable covariance estimation, while Epanechnikov holds steady or improves. For example, on the housing dataset (d=6) at 10× expansion:

Partition count Gaussian h=0.1 TSTR Epanechnikov TSTR
auto (~18) +0.004 −0.014
50 −0.033 −0.008
100 −0.037 −0.011
200 −0.080 −0.008

The crossover point depends on dimensionality: higher-dimensional datasets shift it earlier. On multimodal (d=10), Epanechnikov wins from 30 partitions onward (mean partition size ~13 at n=500). On housing (d=6) and emergence_divergence (d=5), the crossover is ~50 partitions. This is because higher dimensionality makes a d×d covariance matrix harder to estimate stably from small samples, while Epanechnikov is always covariance-free.

'auto' captures this automatically: when you call expand(n_partitions=200), 'auto' sees the resulting small partition sizes and switches to Epanechnikov without any manual intervention.

When to override 'auto':

  • Heterogeneous / high-skew classification task (mean |skew| ≳ 0.8): generation_strategy='epanechnikov' directly — Epanechnikov wins consistently when within-partition data is non-Gaussian. On near-Gaussian classification data, bandwidth='auto' (h=0.10) or adaptive_bandwidth=True is competitive or better, particularly at 2×–5× expansion ratios.
  • Small dataset, coarse partitions, regression: bandwidth=0.1 or bandwidth=0.3 — explicit narrow Gaussian if you know partition sizes are large and correlation structure matters.
  • Diagnostic / ablation: pass explicit values (bandwidth=0.3, bandwidth='scott') to isolate the bandwidth effect.

Why Scott's rule underperforms

Scott's rule is AMISE-optimal for iid Gaussian data. HVRT partitions, while locally more homogeneous than the global distribution, are not Gaussian enough for this to hold (mean |skewness| 0.49–1.37 across benchmark datasets). More importantly, the decision tree already captures the primary variance structure of each partition, so the residual within-partition variance is narrower than Scott's formula assumes. The result is systematic over-smoothing: synthetic samples bleed across partition boundaries and dilute the local density structure. Scott's rule won 0 of 18 benchmark conditions.

Wide bandwidths (≥ 0.75) are actively harmful. They produce synthetic data that degrades downstream ML models (TSTR Δ as low as −0.75 R²). Discriminator accuracy can paradoxically improve with wide bandwidths on regression — a metric artifact where spreading matches marginals while destroying joint structure. Use TSTR as the primary quality signal, not disc_err.

Partition granularity

If 'auto' is already in use, increasing n_partitions will automatically trigger the switch to Epanechnikov when partition sizes fall below the threshold. You can also set it explicitly:

# Finer partitions — 'auto' will pick Epanechnikov when sizes drop below threshold
model.expand(n=50000, n_partitions=150)

# Or fix at construction time
model = HVRT(n_partitions=150, min_samples_leaf=10).fit(X)

Benchmark evidence (regression datasets, 5×/10× expansion ratios):

Dataset (d) At auto (~18 parts) best TSTR At 150 parts Epan TSTR
housing (d=6) h=0.30: −0.001 −0.013
multimodal (d=10) h=0.30: +0.004 +0.001
emergence_divergence (d=5) h=0.10: +0.007 +0.004
emergence_bifurcation (d=5) h=0.10: −0.022 −0.118

Note: for the emergence_bifurcation dataset (where the same feature region maps to a bimodal target), all methods remain significantly negative at any partition count. This indicates a structural limit: if the same X values correspond to multiple distinct y outcomes, expansion without conditioning on y cannot reproduce that structure. In such cases consider conditioning expansion on y directly (e.g., expand class-conditional subsets separately).

Hyperparameter optimisation (HPO)

Dataset heterogeneity is the primary driver of how sensitive synthetic quality is to HVRT's parameters. A well-behaved, near-Gaussian dataset with few sub-populations produces good synthetic data at defaults with little room to improve. A dataset with distinct clusters, non-linear interactions, or regime-switching needs finer partitions to achieve local homogeneity within each leaf — and the optimal settings are dataset-specific.

Benchmark evidence: on near-Gaussian data (fraud, housing at auto partition count), TSTR varied by less than 0.01 across all bandwidth candidates. On heterogeneous datasets (emergence_divergence, emergence_bifurcation), TSTR varied by up to 0.20+ between the best and worst methods at the same partition count. If your data is heterogeneous, HPO pays; if it is well-behaved, defaults are sufficient.

When HPO is worth running:

  • TSTR Δ is significantly negative on your downstream task (below −0.05 is a useful rule of thumb)
  • Your dataset has known sub-populations, clusters, non-linear interactions, or regime changes (e.g., different dynamics at different feature values)
  • You are generating at a high ratio (10×+) where compounding errors matter more

Parameter search space:

Parameter Default Suggested search Effect
n_partitions auto None, 20, 30, 50, 75, 100 Primary lever. More partitions → finer local homogeneity. Start here.
min_samples_leaf auto 5, 10, 15, 20 Controls auto-tuner floor; lower allows finer splits when n is large.
bandwidth 'auto' 'auto', 0.05, 0.10, 0.30, epanechnikov 'auto' is usually near-optimal once partition count is right.
variance_weighted False True, False True oversamples high-variance partitions; useful for tail-heavy distributions.
y_weight 0.0 0.1, 0.3, 0.5 Weights target in synthetic target; helps when y governs sub-population identity.

Evaluation metric: Use TSTR Δ (train-on-synthetic, test-on-real minus train-on-real baseline) as the HPO objective. Discriminator accuracy (disc_err) is structurally insensitive — wide bandwidths can lower it by spreading marginals while destroying joint structure. TSTR directly measures what matters: can a model trained on synthetic data perform as well as one trained on real data?

Example HPO loop:

Use HVRTOptimizer for automated Bayesian optimisation with Optuna (install the optional extra first: pip install hvrt[optimizer]):

from hvrt import HVRTOptimizer

opt = HVRTOptimizer(n_trials=50, n_jobs=4, cv=3, random_state=42).fit(X, y)
print(f'Best TSTR Δ: {opt.best_score_:+.4f}')
print(f'Best params: {opt.best_params_}')

X_synth = opt.expand(n=50000)        # uses tuned kernel + params
X_aug   = opt.augment(n=len(X) * 5)  # originals + synthetic

HVRTOptimizer searches over n_partitions, min_samples_leaf, y_weight, kernel / bandwidth, and variance_weighted using TPE sampling, with TRTR pre-computed once to halve GBM fitting overhead. The fitted best_model_ is refitted on the full dataset after tuning.

For a custom objective or manual grid search:

from sklearn.ensemble import GradientBoostingRegressor
from sklearn.metrics import r2_score
from sklearn.model_selection import train_test_split
import numpy as np
from hvrt import HVRT

X_tr, X_te, y_tr, y_te = train_test_split(X, y, test_size=0.2, random_state=42)

def tstr_delta(n_partitions, bandwidth, variance_weighted=False, seed=42):
    XY_tr = np.column_stack([X_tr, y_tr.reshape(-1, 1)])
    model = HVRT(n_partitions=n_partitions, bandwidth=bandwidth,
                 random_state=seed).fit(XY_tr)
    XY_s = model.expand(n=len(X_tr) * 5, variance_weighted=variance_weighted)
    X_s, y_s = XY_s[:, :-1], XY_s[:, -1]
    trtr = r2_score(y_te, GradientBoostingRegressor(
                        random_state=seed).fit(X_tr, y_tr).predict(X_te))
    tstr = r2_score(y_te, GradientBoostingRegressor(
                        random_state=seed).fit(X_s, y_s).predict(X_te))
    return tstr - trtr

best_score, best_cfg = float('-inf'), {}
for n_parts in [None, 30, 50, 100]:   # None = let auto-tune decide
    for bw in ['auto', 0.10, 0.30]:
        score = tstr_delta(n_partitions=n_parts, bandwidth=bw)
        if score > best_score:
            best_score, best_cfg = score, {'n_partitions': n_parts, 'bandwidth': bw}

print(f'Best TSTR Δ={best_score:+.4f}  params={best_cfg}')

Recommended tuning sequence:

  1. Run with defaults. Establish a baseline TSTR Δ. If it is close to zero, stop.
  2. Sweep n_partitions. This has the largest effect on heterogeneous data. Try None (auto), 20, 30, 50, 75, 100. More partitions only help when n is large enough — a rule of thumb is at least 10–15 real samples per partition.
  3. Check bandwidth. With 'auto', HVRT already picks the right kernel for the resulting partition size. If you have prior knowledge (classification → prefer 'epanechnikov'; regression with large partitions → prefer 0.10), override it.
  4. Try variance_weighted=True if your dataset has a long tail or rare events you want the expansion to oversample.
  5. If TSTR remains poor at any partition count, the dataset likely has inherently unpredictable local structure (e.g., the same feature region maps to multiple distinct outcomes). Consider conditioning: split by y quantile or class and expand each subset independently.

What not to try: Expanding synthetically and re-fitting HVRT on that output ("two-phase pipeline") to manufacture fine partitions does not improve TSTR. Phase 1 Gaussian smoothing introduces distribution drift that Phase 2 amplifies, and the net TSTR is worse than single-phase at the auto partition count. Finer partitions must come from more real data.


Benchmarks

Sample reduction

Metric: GBM ROC-AUC on reduced training set as % of full-training-set AUC. n=3 000 train / 2 000 test, seed=42.

Scenario Retention HVRT-fps HVRT-yw Random Stratified
Well-behaved (Gaussian, no noise) 10% 97.1% 98.1% 96.9% 98.0%
Well-behaved (Gaussian, no noise) 20% 98.7% 98.9% 98.3% 99.0%
Noisy labels (20% random flip) 10% 96.1% 91.1% 93.3% 90.4%
Noisy labels (20% random flip) 20% 95.2% 95.9% 93.1% 93.1%
Heavy-tail + label noise + junk features 30% 98.2% 98.2% 94.3% 95.2%
Rare events (5% positive class) 10% 98.0% 99.4% 86.5% 94.1%
Rare events (5% positive class) 20% 98.0% 100.4% 97.9% 99.0%

HVRT-fps: method='fps', variance_weighted=True. HVRT-yw: same + y_weight=0.3.

Reproduce: python benchmarks/reduction_denoising_benchmark.py

Synthetic data expansion

Metrics: discriminator accuracy (target ≈ 50%), marginal fidelity, tail preservation (target = 1.0), Privacy DCR, TSTR Δ. bandwidth='auto', max_n=500 training samples, expansion ratio 1×. Mean across continuous benchmark datasets (fraud, housing, multimodal). Full results: --print-table expand.

Method Marginal Fidelity Disc. Err % ↓ Tail Preservation Privacy DCR TRTR TSTR TSTR Δ Fit time
HVRT-size 0.944 5.0 1.023 0.45 0.846 0.850 +0.004 0.006 s
HVRT-var 0.921 1.8 1.068 0.45 0.846 0.866 +0.020 0.007 s
FastHVRT-size 0.936 1.5 1.018 0.43 0.846 0.805 −0.041 0.006 s
Gaussian Copula 0.937 1.9 0.983 1.17 0.846 0.806 −0.040 0.002 s
GMM (k≤20) 0.878 1.8 1.035 1.17 0.846 0.820 −0.026 0.028 s
Bootstrap + Noise 0.928 0.8 0.971 0.41 0.846 0.833 −0.013 0.000 s
SMOTE 0.902 1.0 0.889 0.30 0.846 0.828 −0.018 0.003 s
CTGAN† 0.421 32.3 1.95 0.769* 0.726 −0.043 ~10 s
TVAE† 0.624 26.1 0.89 0.769* 0.702 −0.067 ~6 s
TabDDPM‡ 0.960 2.0 N/A‡ 120 s
MOSTLY AI‡ 0.975 1.0 N/A‡ 60 s

Disc. Err = |discriminator accuracy − 50%|. Lower = more indistinguishable from real. Target = 0. Note: Bootstrap + Noise achieves 0.8% error by creating near-copies — low discriminator error without genuine novelty. TSTR Δ is the more reliable quality signal. † CTGAN/TVAE run locally (--deep-learning); all metrics including DCR are computed. Poor Disc. Err reflects small n=400 training set — deep-learning methods need more data. ‡ Published numbers only — no local runner. DCR cannot be computed. * CTGAN/TVAE TRTR is 0.769 (mean over housing + multimodal); fraud was not evaluated for these methods, so their baseline differs from other methods' 0.846 (fraud + housing + multimodal). Tail preservation = 1.0 is ideal.

Reproduce: python benchmarks/run_benchmarks.py --tasks expand --deep-learning

Privacy evaluation

The benchmark suite computes two data privacy metrics for every expansion run. Both are available in the full JSON output, the ASCII results table (--print-table expand), and the summary plot (--plot).

Distance-to-Closest-Record (DCR)

DCR = median(min_dist(synthetic_i → real))
    / median(min_dist(real_i → real excluding itself))
DCR range Interpretation
< 0.1 Near-copies: synthetic samples sit very close to specific training records — high record-linkage risk
0.1 – 0.8 Tight generation: samples fit the local distribution well; low risk unless combined with auxiliary data
≈ 1.0 Neutral: synthetic samples at the same typical distances as real-to-real neighbours
> 1.0 Spread generation: samples more dispersed than real data — global models cover empty regions

A tight generative model (HVRT, Bootstrap + Noise) intentionally produces samples close to the training distribution, yielding DCR < 1 on continuous data — this is correct behaviour, not a privacy failure. Global models (Gaussian Copula, GMM) yield DCR ≈ 1.0–1.2 because they sample from the full inferred distribution rather than local neighbourhoods.

The critical threshold is DCR < 0.1: at that level synthetic samples are essentially copies of training records and present a realistic record-linkage risk. HVRT (DCR ≈ 0.45) is 3× safer than Bootstrap + Noise (DCR ≈ 0.16) and 1.5× safer than SMOTE (DCR ≈ 0.30) on continuous data.

Categorical data caveat: on datasets with many near-duplicate records (e.g., binary or low-cardinality features), the real→real NN distance approaches zero, making the DCR ratio unstable. In the benchmark the adult dataset produces DCR values of 10–400× for all methods due to this effect — treat those numbers as unreliable. DCR is most meaningful on fully-continuous feature sets.

Novelty min-distance (novelty_min) is the minimum Euclidean distance from any synthetic sample to any real sample. A value of 0 means at least one exact duplicate of a training record was generated. HVRT's KDE sampling is strictly stochastic and produces novelty_min > 0 for any finite bandwidth.

Full privacy diagnostics per method are printed when you run:

python benchmarks/run_benchmarks.py --tasks expand --deep-learning
python benchmarks/report_results.py            # detailed rankings + radar chart including DCR

Privacy–Fidelity Decision Matrix

bandwidth is the primary lever for controlling Privacy DCR. The table below shows the recommended configuration per privacy profile, selected for highest marginal fidelity within each DCR range (TSTR Δ ≥ −0.05 filter; expansion ratio 2×; averaged across continuous datasets: fraud, housing, multimodal).

Privacy Profile DCR Target n_partitions bandwidth DCR Marginal Fidelity Disc. Err % TRTR TSTR TSTR Δ
Tight [0.00, 0.40) None (auto) 0.1 0.332 0.966 1.83% 0.846 0.834 −0.012
Moderate [0.40, 0.70) None (auto) 'auto' 0.443 0.958 0.79% 0.846 0.834 −0.012
High [0.70, 1.00) None (auto) 0.5 0.797 0.925 1.71% 0.846 0.839 −0.007
Maximum [1.00, ∞) 10 'scott' 1.067 0.856 0.50% 0.846 0.824 −0.022

Reproduce: python benchmarks/dcr_privacy_benchmark.py

As expected, higher DCR trades off against marginal fidelity. The Moderate profile (bandwidth='auto', n_partitions=None) is the default HVRT behaviour. Choosing a privacy profile is a one-parameter decision — only bandwidth changes; n_partitions stays at None for all profiles except Maximum.

# High privacy profile
model = FastHVRT(bandwidth=0.5, random_state=42).fit(X)
X_synth = model.expand(n=50000)   # DCR ≈ 0.80, MF ≈ 0.925

# Maximum privacy profile
model = FastHVRT(n_partitions=10, bandwidth='scott', random_state=42).fit(X)
X_synth = model.expand(n=50000)   # DCR ≈ 1.07, MF ≈ 0.856

Adaptive bandwidth and privacy

adaptive_bandwidth=True provides a significant DCR lift at expansion ratios above 1× without changing constructor parameters. It scales per-partition bandwidth as bw_p = scott_p × max(1, budget_p/n_p)^(1/d).

Expansion ratio adaptive_bandwidth Dataset DCR Marginal Fidelity TRTR TSTR TSTR Δ
False fraud 0.448 0.940 1.000 1.000 0.000
True fraud 0.448 0.940 1.000 1.000 0.000
False housing 0.744 0.962 0.573 0.554 −0.019
True housing 1.387 0.851 0.573 0.586 +0.013
False multimodal 0.136 0.971 0.966 0.949 −0.017
True multimodal 1.060 0.854 0.966 0.947 −0.019
False housing 0.739 0.975 0.573 0.541 −0.032
True housing 1.349 0.825 0.573 0.590 +0.017
False multimodal 0.136 0.975 0.966 0.948 −0.018
True multimodal 1.131 0.831 0.966 0.947 −0.019

adaptive_bandwidth=True moves housing from Moderate (0.74) to Maximum (1.39) and multimodal from Tight (0.14) to Maximum (1.06) at 2× ratio, while also improving TSTR Δ on housing (+0.032 gain). On fraud the dataset is already KDE-bandwidth-dominated and adaptive scaling has no additional effect. Use adaptive_bandwidth=True when expanding at ratios ≥ 2× and a DCR ≥ 1.0 target is required.


Benchmarking Scripts

python benchmarks/run_benchmarks.py
python benchmarks/run_benchmarks.py --tasks reduce --datasets adult housing
python benchmarks/run_benchmarks.py --tasks expand
python benchmarks/strategy_speedup_benchmark.py   # vectorization speedup (new in v2.4)
python benchmarks/speed_benchmark.py              # serial vs parallel wall-clock times
python benchmarks/reduction_denoising_benchmark.py
python benchmarks/adaptive_kde_benchmark.py
python benchmarks/adaptive_full_benchmark.py
python benchmarks/heart_disease_benchmark.py      # requires: pip install ctgan
python benchmarks/bootstrap_failure_benchmark.py
python benchmarks/hpo_benchmark.py               # HPO vs defaults, nested CV (requires: pip install hvrt[optimizer])
python benchmarks/hpo_benchmark.py --quick       # 3 datasets, 10 trials, fast mode
python benchmarks/dcr_privacy_benchmark.py       # privacy–fidelity parameter sweep + decision matrix
python benchmarks/dcr_privacy_benchmark.py --no-adaptive  # grid-only, skip adaptive bandwidth sweep

Backward Compatibility

The v1 API is still importable:

from hvrt import HVRTSampleReducer, AdaptiveHVRTReducer

reducer = HVRTSampleReducer(reduction_ratio=0.2, random_state=42)
X_reduced, y_reduced = reducer.fit_transform(X, y)

The mode constructor parameter is deprecated. Replace with params objects:

# Deprecated
HVRT(mode='reduce')

# Replacement
HVRT(reduce_params=ReduceParams(ratio=0.3))

The plain callable protocol for generation strategies is deprecated (v2.4). Custom callables still work and emit HVRTDeprecationWarning:

# Deprecated (still works)
def my_strategy(X_z, partition_ids, unique_partitions, budgets, random_state):
    ...
    return X_synthetic

model.expand(n=50000, generation_strategy=my_strategy)

# Replacement: implement StatefulGenerationStrategy
from hvrt import StatefulGenerationStrategy

class MyStrategy:
    def prepare(self, X_z, partition_ids, unique_partitions):
        ...   # return a PartitionContext (or subclass)
    def generate(self, context, budgets, random_state):
        ...   # return (sum(budgets), d) ndarray

model.expand(n=50000, generation_strategy=MyStrategy())

The plain callable protocol for selection strategies is also deprecated. Custom callables still work and emit HVRTDeprecationWarning:

# Deprecated (still works)
def my_selector(X_z, partition_ids, unique_partitions, budgets, random_state):
    ...
    return selected_indices

model.reduce(ratio=0.3, method=my_selector)

# Replacement: implement StatefulSelectionStrategy
from hvrt import StatefulSelectionStrategy
from hvrt.reduction_strategies import _build_selection_context

class MySelector:
    def prepare(self, X_z, partition_ids, unique_partitions):
        return _build_selection_context(X_z, partition_ids, unique_partitions)
    def select(self, context, budgets, random_state, n_jobs=1):
        ...   # return 1-D int64 ndarray of global indices

model.reduce(ratio=0.3, method=MySelector())

Testing

pytest
pytest --cov=hvrt --cov-report=term-missing

Citation

@software{hvrt2026,
  author = {Peace, Jake},
  title  = {HVRT: Hierarchical Variance-Retaining Transformer},
  year   = {2026},
  url    = {https://github.com/hotprotato/hvrt}
}

License

GNU Affero General Public License v3 or later (AGPL-3.0-or-later) — see LICENSE.

Acknowledgments

Development assisted by Claude (Anthropic).

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