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+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + diff --git a/docs/value/classwise-shapley.md b/docs/value/classwise-shapley.md new file mode 100644 index 000000000..a6911812a --- /dev/null +++ b/docs/value/classwise-shapley.md @@ -0,0 +1,269 @@ +--- +title: Class-wise Shapley +--- + +# Class-wise Shapley + +Class-wise Shapley (CWS) [@schoch_csshapley_2022] offers a Shapley framework +tailored for classification problems. Given a sample $x_i$ with label $y_i \in +\mathbb{N}$, let $D_{y_i}$ be the subset of $D$ with labels $y_i$, and +$D_{-y_i}$ be the complement of $D_{y_i}$ in $D$. The key idea is that the +sample $(x_i, y_i)$ might improve the overall model performance on $D$, while +being detrimental for the performance on $D_{y_i},$ e.g. because of a wrong +label. To address this issue, the authors introduced + +$$ +v_u(i) = \frac{1}{2^{|D_{-y_i}|}} \sum_{S_{-y_i}} +\left [ +\frac{1}{|D_{y_i}|}\sum_{S_{y_i}} \binom{|D_{y_i}|-1}{|S_{y_i}|}^{-1} +\delta(S_{y_i} | S_{-y_i}) +\right ], +$$ + +where $S_{y_i} \subseteq D_{y_i} \setminus \{i\}$ and $S_{-y_i} \subseteq +D_{-y_i}$ is _arbitrary_ (in particular, not the complement of $S_{y_i}$). The +function $\delta$ is called **set-conditional marginal Shapley value** and is +defined as + +$$ +\delta(S | C) = u( S_{+i} | C ) − u(S | C), +$$ + +for any set $S$ such that $i \notin S, C$ and $S \cap C = \emptyset$. + +In practical applications, estimating this quantity is done both with Monte +Carlo sampling of the powerset, and the set of index permutations +[@castro_polynomial_2009]. Typically, this requires fewer samples than the +original Shapley value, although the actual speed-up depends on the model and +the dataset. + + +!!! Example "Computing classwise Shapley values" + Like all other game-theoretic valuation methods, CWS requires a + [Utility][pydvl.utils.utility.Utility] object constructed with model and + dataset, with the peculiarity of requiring a specific + [ClasswiseScorer][pydvl.value.shapley.classwise.ClasswiseScorer]. The entry + point is the function + [compute_classwise_shapley_values][pydvl.value.shapley.classwise.compute_classwise_shapley_values]: + + ```python + from pydvl.value import * + + model = ... + data = Dataset(...) + scorer = ClasswiseScorer(...) + utility = Utility(model, data, scorer) + values = compute_classwise_shapley_values( + utility, + done=HistoryDeviation(n_steps=500, rtol=5e-2) | MaxUpdates(5000), + truncation=RelativeTruncation(utility, rtol=0.01), + done_sample_complements=MaxChecks(1), + normalize_values=True + ) + ``` + + +### The class-wise scorer + +In order to use the classwise Shapley value, one needs to define a +[ClasswiseScorer][pydvl.value.shapley.classwise.ClasswiseScorer]. This scorer +is defined as + +$$ +u(S) = f(a_S(D_{y_i})) g(a_S(D_{-y_i})), +$$ + +where $f$ and $g$ are monotonically increasing functions, $a_S(D_{y_i})$ is the +**in-class accuracy**, and $a_S(D_{-y_i})$ is the **out-of-class accuracy** (the +names originate from a choice by the authors to use accuracy, but in principle +any other score, like $F_1$ can be used). + +The authors show that $f(x)=x$ and $g(x)=e^x$ have favorable properties and are +therefore the defaults, but we leave the option to set different functions $f$ +and $g$ for an exploration with different base scores. + +!!! Example "The default class-wise scorer" + Constructing the CWS scorer requires choosing a metric and the functions $f$ + and $g$: + + ```python + import numpy as np + from pydvl.value.shapley.classwise import ClasswiseScorer + + # These are the defaults + identity = lambda x: x + scorer = ClasswiseScorer( + "accuracy", + in_class_discount_fn=identity, + out_of_class_discount_fn=np.exp + ) + ``` + +??? "Surface of the discounted utility function" + The level curves for $f(x)=x$ and $g(x)=e^x$ are depicted below. The lines + illustrate the contour lines, annotated with their respective gradients. + ![Level curves of the class-wise + utility](img/classwise-shapley-discounted-utility-function.svg){ align=left width=33% class=invertible } + +## Evaluation + +We illustrate the method with two experiments: point removal and noise removal, +as well as an analysis of the distribution of the values. For this we employ the +nine datasets used in [@schoch_csshapley_2022], using the same pre-processing. +For images, PCA is used to reduce down to 32 the features found by a pre-trained +`Resnet18` model. Standard loc-scale normalization is performed for all models +except gradient boosting, since the latter is not sensitive to the scale of the +features. + +??? info "Datasets used for evaluation" + | Dataset | Data Type | Classes | Input Dims | OpenML ID | + |----------------|-----------|---------|------------|-----------| + | Diabetes | Tabular | 2 | 8 | 37 | + | Click | Tabular | 2 | 11 | 1216 | + | CPU | Tabular | 2 | 21 | 197 | + | Covertype | Tabular | 7 | 54 | 1596 | + | Phoneme | Tabular | 2 | 5 | 1489 | + | FMNIST | Image | 2 | 32 | 40996 | + | CIFAR10 | Image | 2 | 32 | 40927 | + | MNIST (binary) | Image | 2 | 32 | 554 | + | MNIST (multi) | Image | 10 | 32 | 554 | + +We show mean and coefficient of variation (CV) $\frac{\sigma}{\mu}$ of an "inner +metric". The former shows the performance of the method, whereas the latter +displays its stability: we normalize by the mean to see the relative effect of +the standard deviation. Ideally the mean value is maximal and CV minimal. + +Finally, we note that for all sampling-based valuation methods the same number +of _evaluations of the marginal utility_ was used. This is important to make the +algorithms comparable, but in practice one should consider using a more +sophisticated stopping criterion. + +### Dataset pruning for logistic regression (point removal) + +In (best-)point removal, one first computes values for the training set and then +removes in sequence the points with the highest values. After each removal, the +remaining points are used to train the model from scratch and performance is +measured on a test set. This produces a curve of performance vs. number of +points removed which we show below. + +As a scalar summary of this curve, [@schoch_csshapley_2022] define **Weighted +Accuracy Drop** (WAD) as: + +$$ +\text{WAD} = \sum_{j=1}^{n} \left ( \frac{1}{j} \sum_{i=1}^{j} +a_{T_{-\{1 \colon i-1 \}}}(D) - a_{T_{-\{1 \colon i \}}}(D) \right) += a_T(D) - \sum_{j=1}^{n} \frac{a_{T_{-\{1 \colon j \}}}(D)}{j} , +$$ + +where $a_T(D)$ is the accuracy of the model (trained on $T$) evaluated on $D$ +and $T_{-\{1 \colon j \}}$ is the set $T$ without elements from $\{1, \dots , j +\}$. + +We run the point removal experiment for a logistic regression model five times +and compute WAD for each run, then report the mean $\mu_\text{WAD}$ and standard +deviation $\sigma_\text{WAD}$. + +![Mean WAD for best-point removal on logistic regression. Values +computed using LOO, CWS, Beta Shapley, and TMCS +](img/classwise-shapley-metric-wad-mean.svg){ class=invertible } + +We see that CWS is competitive with all three other methods. In all problems +except `MNIST (multi)` it outperforms TMCS, while in that case TMCS has a slight +advantage. + +In order to understand the variability of WAD we look at its coefficient of +variation (lower is better): + +![Coefficient of Variation of WAD for best-point removal on logistic regression. +Values computed using LOO, CWS, Beta Shapley, and TMCS +](img/classwise-shapley-metric-wad-cv.svg){ class=invertible } + +CWS is not the best method in terms of CV. For `CIFAR10`, `Click`, `CPU` and +`MNIST (binary)` Beta Shapley has the lowest CV. For `Diabetes`, `MNIST (multi)` +and `Phoneme` CWS is the winner and for `FMNIST` and `Covertype` TMCS takes the +lead. Besides LOO, TMCS has the highest relative standard deviation. + +The following plot shows accuracy vs number of samples removed. Random values +serve as a baseline. The shaded area represents the 95% bootstrap confidence +interval of the mean across 5 runs. + +![Accuracy after best-sample removal using values from logistic +regression](img/classwise-shapley-weighted-accuracy-drop-logistic-regression-to-logistic-regression.svg){ class=invertible } + +Because samples are removed from high to low valuation order, we expect a steep +decrease in the curve. + +Overall we conclude that in terms of mean WAD, CWS and TMCS perform best, with +CWS's CV on par with Beta Shapley's, making CWS a competitive method. + + +### Dataset pruning for a neural network by value transfer + +Transfer of values from one model to another is probably of greater practical +relevance: values are computed using a cheap model and used to prune the dataset +before training a more expensive one. + +The following plot shows accuracy vs number of samples removed for transfer from +logistic regression to a neural network. The shaded area represents the 95% +bootstrap confidence interval of the mean across 5 runs. + +![Accuracy after sample removal using values transferred from logistic +regression to an MLP +](img/classwise-shapley-weighted-accuracy-drop-logistic-regression-to-mlp.svg){ class=invertible } + +As in the previous experiment samples are removed from high to low valuation +order and hence we expect a steep decrease in the curve. CWS is competitive with +the other methods, especially in very unbalanced datasets like `Click`. In other +datasets, like `Covertype`, `Diabetes` and `MNIST (multi)` the performance is on +par with TMCS. + + +### Detection of mis-labeled data points + +The next experiment tries to detect mis-labeled data points in binary +classification tasks. 20% of the indices is flipped at random (we don't consider +multi-class datasets because there isn't a unique flipping strategy). The +following table shows the mean of the area under the curve (AUC) for five runs. + +![Mean AUC for mis-labeled data point detection. Values computed using LOO, CWS, +Beta Shapley, and +TMCS](img/classwise-shapley-metric-auc-mean.svg){ class=invertible } + +In the majority of cases TMCS has a slight advantage over CWS, except for +`Click`, where CWS has a slight edge, most probably due to the unbalanced nature +of the dataset. The following plot shows the CV for the AUC of the five runs. + +![Coefficient of variation of AUC for mis-labeled data point detection. Values +computed using LOO, CWS, Beta Shapley, and TMCS +](img/classwise-shapley-metric-auc-cv.svg){ class=invertible } + +In terms of CV, CWS has a clear edge over TMCS and Beta Shapley. + +Finally, we look at the ROC curves training the classifier on the $n$ first +samples in _increasing_ order of valuation (i.e. starting with the worst): + +![Mean ROC across 5 runs with 95% bootstrap +CI](img/classwise-shapley-roc-auc-logistic-regression.svg){ class=invertible } + +Although at first sight TMCS seems to be the winner, CWS stays competitive after +factoring in running time. For a perfectly balanced dataset, CWS needs on +average fewer samples than TCMS. + +### Value distribution + +For illustration, we compare the distribution of values computed by TMCS and +CWS. + +![Histogram and estimated density of the values computed by TMCS and +CWS on all nine datasets](img/classwise-shapley-density.svg){ class=invertible } + +For `Click` TMCS has a multi-modal distribution of values. We hypothesize that +this is due to the highly unbalanced nature of the dataset, and notice that CWS +has a single mode, leading to its greater performance on this dataset. + +## Conclusion + +CWS is an effective way to handle classification problems, in particular for +unbalanced datasets. It reduces the computing requirements by considering +in-class and out-of-class points separately. + diff --git a/docs/value/img/classwise-shapley-density.svg b/docs/value/img/classwise-shapley-density.svg new file mode 100644 index 000000000..44d954546 --- /dev/null +++ b/docs/value/img/classwise-shapley-density.svg @@ -0,0 +1 @@ + \ No newline at end of file diff --git a/docs/value/img/classwise-shapley-discounted-utility-function.svg b/docs/value/img/classwise-shapley-discounted-utility-function.svg new file mode 100644 index 000000000..70ed7ab58 --- /dev/null +++ b/docs/value/img/classwise-shapley-discounted-utility-function.svg @@ -0,0 +1 @@ + \ No newline at end of file diff --git a/docs/value/img/classwise-shapley-metric-auc-cv.svg b/docs/value/img/classwise-shapley-metric-auc-cv.svg new file mode 100644 index 000000000..3ddc5f5a4 --- /dev/null +++ b/docs/value/img/classwise-shapley-metric-auc-cv.svg @@ -0,0 +1 @@ + \ No newline at end of file diff --git a/docs/value/img/classwise-shapley-metric-auc-mean.svg b/docs/value/img/classwise-shapley-metric-auc-mean.svg new file mode 100644 index 000000000..197ada82b --- /dev/null +++ b/docs/value/img/classwise-shapley-metric-auc-mean.svg @@ -0,0 +1 @@ + \ No newline at end of file diff --git a/docs/value/img/classwise-shapley-metric-wad-cv.svg b/docs/value/img/classwise-shapley-metric-wad-cv.svg new file mode 100644 index 000000000..696226e83 --- /dev/null +++ b/docs/value/img/classwise-shapley-metric-wad-cv.svg @@ -0,0 +1 @@ + \ No newline at end of file diff --git a/docs/value/img/classwise-shapley-metric-wad-mean.svg b/docs/value/img/classwise-shapley-metric-wad-mean.svg new file mode 100644 index 000000000..7f74a384a --- /dev/null +++ b/docs/value/img/classwise-shapley-metric-wad-mean.svg @@ -0,0 +1 @@ + \ No newline at end of file diff --git a/docs/value/img/classwise-shapley-roc-auc-logistic-regression.svg b/docs/value/img/classwise-shapley-roc-auc-logistic-regression.svg new file mode 100644 index 000000000..0ec200f83 --- /dev/null +++ b/docs/value/img/classwise-shapley-roc-auc-logistic-regression.svg @@ -0,0 +1 @@ + \ No newline at end of file diff --git a/docs/value/img/classwise-shapley-weighted-accuracy-drop-logistic-regression-to-logistic-regression.svg b/docs/value/img/classwise-shapley-weighted-accuracy-drop-logistic-regression-to-logistic-regression.svg new file mode 100644 index 000000000..1071d5f0b --- /dev/null +++ b/docs/value/img/classwise-shapley-weighted-accuracy-drop-logistic-regression-to-logistic-regression.svg @@ -0,0 +1 @@ + \ No newline at end of file diff --git a/docs/value/img/classwise-shapley-weighted-accuracy-drop-logistic-regression-to-mlp.svg b/docs/value/img/classwise-shapley-weighted-accuracy-drop-logistic-regression-to-mlp.svg new file mode 100644 index 000000000..85a3244d8 --- /dev/null +++ b/docs/value/img/classwise-shapley-weighted-accuracy-drop-logistic-regression-to-mlp.svg @@ -0,0 +1 @@ + \ No newline at end of file diff --git a/docs/value/notation.md b/docs/value/notation.md index f14ce6466..83054d5e6 100644 --- a/docs/value/notation.md +++ b/docs/value/notation.md @@ -4,17 +4,24 @@ title: Notation for valuation # Notation for valuation +!!! todo + Organize this page better and use its content consistently throughout the + documentation. + The following notation is used throughout the documentation: Let $D = \{x_1, \ldots, x_n\}$ be a training set of $n$ samples. The utility function $u:\mathcal{D} \rightarrow \mathbb{R}$ maps subsets of $D$ -to real numbers. +to real numbers. In pyDVL, we typically call this mappin a **score** for +consistency with sklearn, and reserve the term **utility** for the triple of +dataset $D$, model $f$ and score $u$, since they are used together to compute +the value. The value $v$ of the $i$-th sample in dataset $D$ wrt. utility $u$ is denoted as $v_u(x_i)$ or simply $v(i)$. -For any $S \subseteq D$, we donote by $S_{-i}$ the set of samples in $D$ +For any $S \subseteq D$, we denote by $S_{-i}$ the set of samples in $D$ excluding $x_i$, and $S_{+i}$ denotes the set $S$ with $x_i$ added. The marginal utility of adding sample $x_i$ to a subset $S$ is denoted as diff --git a/docs/value/shapley.md b/docs/value/shapley.md index 77af2ae2b..6de30f0ab 100644 --- a/docs/value/shapley.md +++ b/docs/value/shapley.md @@ -175,8 +175,9 @@ values = compute_shapley_values(u=utility, mode="knn") ### Group testing -An alternative approach introduced in [@jia_efficient_2019a] first approximates -the differences of values with a Monte Carlo sum. With +An alternative method for the approximation of Shapley values introduced in +[@jia_efficient_2019a] first estimates the differences of values with a Monte +Carlo sum. With $$\hat{\Delta}_{i j} \approx v_i - v_j,$$ diff --git a/docs_includes/abbreviations.md b/docs_includes/abbreviations.md index e0fa67a4c..a89425885 100644 --- a/docs_includes/abbreviations.md +++ b/docs_includes/abbreviations.md @@ -1,15 +1,21 @@ *[CSP]: Constraint Satisfaction Problem +*[CV]: Coefficient of Variation +*[CWS]: Class-wise Shapley +*[DUL]: Data Utility Learning *[GT]: Group Testing +*[IF]: Influence Function +*[iHVP]: inverse Hessian-vector product *[LC]: Least Core +*[LiSSA]: Linear-time Stochastic Second-order Algorithm *[LOO]: Leave-One-Out *[MCLC]: Monte Carlo Least Core *[MCS]: Monte Carlo Shapley *[ML]: Machine Learning +*[MLP]: Multi-Layer Perceptron *[MLRC]: Machine Learning Reproducibility Challenge *[MSE]: Mean Squared Error +*[PCA]: Principal Component Analysis +*[ROC]: Receiver Operating Characteristic *[SV]: Shapley Value *[TMCS]: Truncated Monte Carlo Shapley -*[IF]: Influence Function -*[iHVP]: inverse Hessian-vector product -*[LiSSA]: Linear-time Stochastic Second-order Algorithm -*[DUL]: Data Utility Learning +*[WAD]: Weighted Accuracy Drop diff --git a/mkdocs.yml b/mkdocs.yml index dde7b7e55..c4a80316a 100644 --- a/mkdocs.yml +++ b/mkdocs.yml @@ -193,9 +193,10 @@ nav: - Data Valuation: - Introduction: value/index.md - Notation: value/notation.md - - Shapley Values: value/shapley.md + - Shapley values: value/shapley.md - Semi-values: value/semi-values.md - The core: value/the-core.md + - Classwise Shapley: value/classwise-shapley.md - Examples: - Shapley values: examples/shapley_basic_spotify.ipynb - KNN Shapley: examples/shapley_knn_flowers.ipynb diff --git a/src/pydvl/utils/numeric.py b/src/pydvl/utils/numeric.py index d223673ed..679573a82 100644 --- a/src/pydvl/utils/numeric.py +++ b/src/pydvl/utils/numeric.py @@ -5,7 +5,16 @@ from __future__ import annotations from itertools import chain, combinations -from typing import Collection, Generator, Iterator, Optional, Tuple, TypeVar, overload +from typing import ( + Collection, + Generator, + Iterator, + List, + Optional, + Tuple, + TypeVar, + overload, +) import numpy as np from numpy.typing import NDArray @@ -19,6 +28,7 @@ "random_matrix_with_condition_number", "random_subset", "random_powerset", + "random_powerset_label_min", "random_subset_of_size", "top_k_value_accuracy", ] @@ -133,6 +143,66 @@ def random_powerset( total += 1 +def random_powerset_label_min( + s: NDArray[T], + labels: NDArray[np.int_], + min_elements_per_label: int = 1, + seed: Optional[Seed] = None, +) -> Generator[NDArray[T], None, None]: + """Draws random subsets from `s`, while ensuring that at least + `min_elements_per_label` elements per label are included in the draw. It can be used + for classification problems to ensure that a set contains information for all labels + (or not if `min_elements_per_label=0`). + + Args: + s: Set to sample from + labels: Labels for the samples + min_elements_per_label: Minimum number of elements for each label. + seed: Either an instance of a numpy random number generator or a seed for it. + + Returns: + Generated draw from the powerset of s with `min_elements_per_label` for each + label. + + Raises: + ValueError: If `s` and `labels` are of different length or + `min_elements_per_label` is smaller than 0. + """ + if len(labels) != len(s): + raise ValueError("Set and labels have to be of same size.") + + if min_elements_per_label < 0: + raise ValueError( + f"Parameter min_elements={min_elements_per_label} needs to be bigger or " + f"equal to 0." + ) + + rng = np.random.default_rng(seed) + unique_labels = np.unique(labels) + + while True: + subsets: List[NDArray[T]] = [] + for label in unique_labels: + label_indices = np.asarray(np.where(labels == label)[0]) + subset_size = int( + rng.integers( + min(min_elements_per_label, len(label_indices)), + len(label_indices) + 1, + ) + ) + if subset_size > 0: + subsets.append( + random_subset_of_size(s[label_indices], subset_size, seed=rng) + ) + + if len(subsets) > 0: + subset = np.concatenate(tuple(subsets)) + rng.shuffle(subset) + yield subset + else: + yield np.array([], dtype=s.dtype) + + def random_subset_of_size( s: NDArray[T], size: int, seed: Optional[Seed] = None ) -> NDArray[T]: diff --git a/src/pydvl/utils/score.py b/src/pydvl/utils/score.py index a5d1aceef..f077c9a53 100644 --- a/src/pydvl/utils/score.py +++ b/src/pydvl/utils/score.py @@ -26,7 +26,13 @@ from pydvl.utils.types import SupervisedModel -__all__ = ["Scorer", "compose_score", "squashed_r2", "squashed_variance"] +__all__ = [ + "Scorer", + "ScorerCallable", + "compose_score", + "squashed_r2", + "squashed_variance", +] class ScorerCallable(Protocol): diff --git a/src/pydvl/value/result.py b/src/pydvl/value/result.py index 3e4bc1b73..20def1390 100644 --- a/src/pydvl/value/result.py +++ b/src/pydvl/value/result.py @@ -538,10 +538,14 @@ def __add__( xm[other_pos] = other._values vm[other_pos] = other._variances + # np.maximum(1, n + m) covers case n = m = 0. + n_m_sum = np.maximum(1, n + m) + # Sample mean of n+m samples from two means of n and m samples - xnm = (n * xn + m * xm) / (n + m) + xnm = (n * xn + m * xm) / n_m_sum + # Sample variance of n+m samples from two sample variances of n and m samples - vnm = (n * (vn + xn**2) + m * (vm + xm**2)) / (n + m) - xnm**2 + vnm = (n * (vn + xn**2) + m * (vm + xm**2)) / n_m_sum - xnm**2 if np.any(vnm < 0): if np.any(vnm < -1e-6): @@ -627,6 +631,17 @@ def update(self, idx: int, new_value: float) -> ValuationResult[IndexT, NameT]: ) return self + def scale(self, factor: float, indices: Optional[NDArray[IndexT]] = None): + """ + Scales the values and variances of the result by a coefficient. + + Args: + factor: Factor to scale by. + indices: Indices to scale. If None, all values are scaled. + """ + self._values[self._sort_positions[indices]] *= factor + self._variances[self._sort_positions[indices]] *= factor**2 + def get(self, idx: Integral) -> ValueItem: """Retrieves a ValueItem by data index, as opposed to sort index, like the indexing operator. diff --git a/src/pydvl/value/semivalues.py b/src/pydvl/value/semivalues.py index 95011b1b9..cabe3c3ba 100644 --- a/src/pydvl/value/semivalues.py +++ b/src/pydvl/value/semivalues.py @@ -171,14 +171,6 @@ def _marginal( # deprecated_in="0.8.0", # remove_in="0.9.0", # ) -@deprecated( - target=True, - deprecated_in="0.7.0", - remove_in="0.9.0", - args_mapping={"batch_size": None}, - template_mgs="batch_size is for experimental use and will be removed" - "in future versions.", -) def compute_generic_semivalues( sampler: PowersetSampler[IndexT], u: Utility, @@ -334,14 +326,6 @@ def beta_coefficient_w(n: int, k: int) -> float: return cast(SVCoefficient, beta_coefficient_w) -@deprecated( - target=True, - deprecated_in="0.7.0", - remove_in="0.9.0", - args_mapping={"batch_size": None}, - template_mgs="batch_size is for experimental use and will be removed" - "in future versions.", -) def compute_shapley_semivalues( u: Utility, *, @@ -394,14 +378,6 @@ def compute_shapley_semivalues( ) -@deprecated( - target=True, - deprecated_in="0.7.0", - remove_in="0.9.0", - args_mapping={"batch_size": None}, - template_mgs="batch_size is for experimental use and will be removed" - "in future versions.", -) def compute_banzhaf_semivalues( u: Utility, *, @@ -452,14 +428,6 @@ def compute_banzhaf_semivalues( ) -@deprecated( - target=True, - deprecated_in="0.7.0", - remove_in="0.9.0", - args_mapping={"batch_size": None}, - template_mgs="batch_size is for experimental use and will be removed" - "in future versions.", -) def compute_beta_shapley_semivalues( u: Utility, *, diff --git a/src/pydvl/value/shapley/__init__.py b/src/pydvl/value/shapley/__init__.py index d4730237e..ec1ec44b5 100644 --- a/src/pydvl/value/shapley/__init__.py +++ b/src/pydvl/value/shapley/__init__.py @@ -11,6 +11,7 @@ from ..result import * from ..stopping import * +from .classwise import * from .common import * from .gt import * from .knn import * diff --git a/src/pydvl/value/shapley/classwise.py b/src/pydvl/value/shapley/classwise.py new file mode 100644 index 000000000..438d953c8 --- /dev/null +++ b/src/pydvl/value/shapley/classwise.py @@ -0,0 +1,599 @@ +r""" +Class-wise Shapley (Schoch et al., 2022)[^1] offers a Shapley framework tailored +for classification problems. Let $D$ be a dataset, $D_{y_i}$ be the subset of +$D$ with labels $y_i$, and $D_{-y_i}$ be the complement of $D_{y_i}$ in $D$. The +key idea is that a sample $(x_i, y_i)$, might enhance the overall performance on +$D$, while being detrimental for the performance on $D_{y_i}$. The Class-wise +value is defined as: + +$$ +v_u(i) = \frac{1}{2^{|D_{-y_i}|}} \sum_{S_{-y_i}} \frac{1}{|D_{y_i}|!} +\sum_{S_{y_i}} \binom{|D_{y_i}|-1}{|S_{y_i}|}^{-1} +[u( S_{y_i} \cup \{i\} | S_{-y_i} ) − u( S_{y_i} | S_{-y_i})], +$$ + +where $S_{y_i} \subseteq D_{y_i} \setminus \{i\}$ and $S_{-y_i} \subseteq +D_{-y_i}$. + +!!! tip "Analysis of Class-wise Shapley" + For a detailed analysis of the method, with comparison to other valuation + techniques, please refer to the [main + documentation](../../../../../value/classwise-shapley). + +In practice, the quantity above is estimated using Monte Carlo sampling of +the powerset and the set of index permutations. This results in the estimator + +$$ +v_u(i) = \frac{1}{K} \sum_k \frac{1}{L} \sum_l +[u(\sigma^{(l)}_{:i} \cup \{i\} | S^{(k)} ) − u( \sigma^{(l)}_{:i} | S^{(k)})], +$$ + +with $S^{(1)}, \dots, S^{(K)} \subseteq T_{-y_i},$ $\sigma^{(1)}, \dots, +\sigma^{(L)} \in \Pi(T_{y_i}\setminus\{i\}),$ and $\sigma^{(l)}_{:i}$ denoting +the set of indices in permutation $\sigma^{(l)}$ before the position where $i$ +appears. The sets $T_{y_i}$ and $T_{-y_i}$ are the training sets for the labels +$y_i$ and $-y_i$, respectively. + +??? info "Notes for derivation of test cases" + The unit tests include the following manually constructed data: + Let $D=\{(1,0),(2,0),(3,0),(4,1)\}$ be the test set and $T=\{(1,0),(2,0),(3,1),(4,1)\}$ + the train set. This specific dataset is chosen as it allows to solve the model + + $$y = \max(0, \min(1, \text{round}(\beta^T x)))$$ + + in closed form $\beta = \frac{\text{dot}(x, y)}{\text{dot}(x, x)}$. From the closed-form + solution, the tables for in-class accuracy $a_S(D_{y_i})$ and out-of-class accuracy + $a_S(D_{-y_i})$ can be calculated. By using these tables and setting + $\{S^{(1)}, \dots, S^{(K)}\} = 2^{T_{-y_i}}$ and + $\{\sigma^{(1)}, \dots, \sigma^{(L)}\} = \Pi(T_{y_i}\setminus\{i\})$, + the Monte Carlo estimator can be evaluated ($2^M$ is the powerset of $M$). + The details of the derivation are left to the eager reader. + +# References + +[^1]: Schoch, Stephanie, Haifeng Xu, and + Yangfeng Ji. [CS-Shapley: Class-wise Shapley Values for Data Valuation in + Classification](https://openreview.net/forum?id=KTOcrOR5mQ9). In Proc. of + the Thirty-Sixth Conference on Neural Information Processing Systems + (NeurIPS). New Orleans, Louisiana, USA, 2022. + +""" +import logging +import numbers +from concurrent.futures import FIRST_COMPLETED, Future, wait +from copy import copy +from typing import Callable, Optional, Set, Tuple, Union, cast + +import numpy as np +from numpy.random import SeedSequence +from numpy.typing import NDArray +from tqdm import tqdm + +from pydvl.parallel import ( + ParallelConfig, + effective_n_jobs, + init_executor, + init_parallel_backend, +) +from pydvl.utils import ( + Dataset, + Scorer, + ScorerCallable, + Seed, + SupervisedModel, + Utility, + ensure_seed_sequence, + random_powerset_label_min, +) +from pydvl.value.result import ValuationResult +from pydvl.value.shapley.truncated import TruncationPolicy +from pydvl.value.stopping import MaxChecks, StoppingCriterion + +logger = logging.getLogger(__name__) + +__all__ = ["ClasswiseScorer", "compute_classwise_shapley_values"] + + +class ClasswiseScorer(Scorer): + r"""A Scorer designed for evaluation in classification problems. Its value + is computed from an in-class and an out-of-class "inner score" (Schoch et + al., 2022) 1. Let $S$ be the + training set and $D$ be the valuation set. For each label $c$, $D$ is + factorized into two disjoint sets: $D_c$ for in-class instances and $D_{-c}$ + for out-of-class instances. The score combines an in-class metric of + performance, adjusted by a discounted out-of-class metric. These inner + scores must be provided upon construction or default to accuracy. They are + combined into: + + $$ + u(S_{y_i}) = f(a_S(D_{y_i}))\ g(a_S(D_{-y_i})), + $$ + + where $f$ and $g$ are continuous, monotonic functions. For a detailed + explanation, refer to section four of (Schoch et al., 2022) 1. + + !!! warning Multi-class support + Metrics must support multiple class labels if you intend to apply them + to a multi-class problem. For instance, the metric 'accuracy' supports + multiple classes, but the metric `f1` does not. For a two-class + classification problem, using `f1_weighted` is essentially equivalent to + using `accuracy`. + + Args: + scoring: Name of the scoring function or a callable that can be passed + to [Scorer][pydvl.utils.score.Scorer]. + default: Score to use when a model fails to provide a number, e.g. when + too little was used to train it, or errors arise. + range: Numerical range of the score function. Some Monte Carlo methods + can use this to estimate the number of samples required for a + certain quality of approximation. If not provided, it can be read + from the `scoring` object if it provides it, for instance if it was + constructed with + [compose_score][pydvl.utils.score.compose_score]. + in_class_discount_fn: Continuous, monotonic increasing function used to + discount the in-class score. + out_of_class_discount_fn: Continuous, monotonic increasing function used + to discount the out-of-class score. + initial_label: Set initial label (for the first iteration) + name: Name of the scorer. If not provided, the name of the inner scoring + function will be prefixed by `classwise `. + + !!! tip "New in version 0.7.1" + """ + + def __init__( + self, + scoring: Union[str, ScorerCallable] = "accuracy", + default: float = 0.0, + range: Tuple[float, float] = (0, 1), + in_class_discount_fn: Callable[[float], float] = lambda x: x, + out_of_class_discount_fn: Callable[[float], float] = np.exp, + initial_label: Optional[int] = None, + name: Optional[str] = None, + ): + disc_score_in_class = in_class_discount_fn(range[1]) + disc_score_out_of_class = out_of_class_discount_fn(range[1]) + transformed_range = (0, disc_score_in_class * disc_score_out_of_class) + super().__init__( + scoring=scoring, + range=transformed_range, + default=default, + name=name or f"classwise {str(scoring)}", + ) + self._in_class_discount_fn = in_class_discount_fn + self._out_of_class_discount_fn = out_of_class_discount_fn + self.label = initial_label + + def __str__(self): + return self._name + + def __call__( + self: "ClasswiseScorer", + model: SupervisedModel, + x_test: NDArray[np.float_], + y_test: NDArray[np.int_], + ) -> float: + ( + in_class_score, + out_of_class_score, + ) = self.estimate_in_class_and_out_of_class_score(model, x_test, y_test) + disc_score_in_class = self._in_class_discount_fn(in_class_score) + disc_score_out_of_class = self._out_of_class_discount_fn(out_of_class_score) + return disc_score_in_class * disc_score_out_of_class + + def estimate_in_class_and_out_of_class_score( + self, + model: SupervisedModel, + x_test: NDArray[np.float_], + y_test: NDArray[np.int_], + rescale_scores: bool = True, + ) -> Tuple[float, float]: + r""" + Computes in-class and out-of-class scores using the provided inner + scoring function. The result is + + $$ + a_S(D=\{(x_1, y_1), \dots, (x_K, y_K)\}) = \frac{1}{N} \sum_k s(y(x_k), y_k). + $$ + + In this context, for label $c$ calculations are executed twice: once for $D_c$ + and once for $D_{-c}$ to determine the in-class and out-of-class scores, + respectively. By default, the raw scores are multiplied by $\frac{|D_c|}{|D|}$ + and $\frac{|D_{-c}|}{|D|}$, respectively. This is done to ensure that both + scores are of the same order of magnitude. This normalization is particularly + useful when the inner score function $a_S$ is calculated by an estimator of the + form $\frac{1}{N} \sum_i x_i$, e.g. the accuracy. + + Args: + model: Model used for computing the score on the validation set. + x_test: Array containing the features of the classification problem. + y_test: Array containing the labels of the classification problem. + rescale_scores: If set to True, the scores will be denormalized. This is + particularly useful when the inner score function $a_S$ is calculated by + an estimator of the form $\frac{1}{N} \sum_i x_i$. + + Returns: + Tuple containing the in-class and out-of-class scores. + """ + scorer = self._scorer + label_set_match = y_test == self.label + label_set = np.where(label_set_match)[0] + num_classes = len(np.unique(y_test)) + + if len(label_set) == 0: + return 0, 1 / (num_classes - 1) + + complement_label_set = np.where(~label_set_match)[0] + in_class_score = scorer(model, x_test[label_set], y_test[label_set]) + out_of_class_score = scorer( + model, x_test[complement_label_set], y_test[complement_label_set] + ) + + if rescale_scores: + n_in_class = np.count_nonzero(y_test == self.label) + n_out_of_class = len(y_test) - n_in_class + in_class_score *= n_in_class / (n_in_class + n_out_of_class) + out_of_class_score *= n_out_of_class / (n_in_class + n_out_of_class) + + return in_class_score, out_of_class_score + + +def compute_classwise_shapley_values( + u: Utility, + *, + done: StoppingCriterion, + truncation: TruncationPolicy, + done_sample_complements: Optional[StoppingCriterion] = None, + normalize_values: bool = True, + use_default_scorer_value: bool = True, + min_elements_per_label: int = 1, + n_jobs: int = 1, + config: ParallelConfig = ParallelConfig(), + progress: bool = False, + seed: Optional[Seed] = None, +) -> ValuationResult: + r""" + Computes an approximate Class-wise Shapley value by sampling independent + permutations of the index set for each label and index sets sampled from the + powerset of the complement (with respect to the currently evaluated label), + approximating the sum: + + $$ + v_u(i) = \frac{1}{K} \sum_k \frac{1}{L} \sum_l + [u(\sigma^{(l)}_{:i} \cup \{i\} | S^{(k)} ) − u( \sigma^{(l)}_{:i} | S^{(k)})], + $$ + + where $\sigma_{:i}$ denotes the set of indices in permutation sigma before + the position where $i$ appears and $S$ is a subset of the index set of all other + labels(see [[data-valuation]] for details). + + Args: + u: Utility object containing model, data, and scoring function. The + scorer must be of type + [ClasswiseScorer][pydvl.value.shapley.classwise.ClasswiseScorer]. + done: Function that checks whether the computation needs to stop. + truncation: Callable function that decides whether to interrupt processing a + permutation and set subsequent marginals to zero. + done_sample_complements: Function checking whether computation needs to stop. + Otherwise, it will resample conditional sets until the stopping criterion is + met. + normalize_values: Indicates whether to normalize the values by the variation + in each class times their in-class accuracy. + done_sample_complements: Number of times to resample the complement set + for each permutation. + use_default_scorer_value: The first set of indices is the sampled complement + set. Unless not otherwise specified, the default scorer value is used for + this. If it is set to false, the base score is calculated from the utility. + min_elements_per_label: The minimum number of elements for each opposite + label. + n_jobs: Number of parallel jobs to run. + config: Parallel configuration. + progress: Whether to display a progress bar. + seed: Either an instance of a numpy random number generator or a seed for it. + + Returns: + ValuationResult object containing computed data values. + + !!! tip "New in version 0.7.1" + """ + dim_correct = u.data.y_train.ndim == 1 and u.data.y_test.ndim == 1 + is_integral = all( + map( + lambda v: isinstance(v, numbers.Integral), (*u.data.y_train, *u.data.y_test) + ) + ) + if not dim_correct or not is_integral: + raise ValueError( + "The supplied dataset has to be a 1-dimensional classification dataset." + ) + + if not isinstance(u.scorer, ClasswiseScorer): + raise ValueError( + "Please set a subclass of ClasswiseScorer object as scorer object of the" + " utility. See scoring argument of Utility." + ) + + parallel_backend = init_parallel_backend(config) + u_ref = parallel_backend.put(u) + n_jobs = effective_n_jobs(n_jobs, config) + n_submitted_jobs = 2 * n_jobs + + pbar = tqdm(disable=not progress, position=0, total=100, unit="%") + algorithm = "classwise_shapley" + accumulated_result = ValuationResult.zeros( + algorithm=algorithm, indices=u.data.indices, data_names=u.data.data_names + ) + terminate_exec = False + seed_sequence = ensure_seed_sequence(seed) + + with init_executor(max_workers=n_jobs, config=config) as executor: + pending: Set[Future] = set() + while True: + completed_futures, pending = wait( + pending, timeout=60, return_when=FIRST_COMPLETED + ) + for future in completed_futures: + accumulated_result += future.result() + if done(accumulated_result): + terminate_exec = True + break + + pbar.n = 100 * done.completion() + pbar.refresh() + if terminate_exec: + break + + n_remaining_slots = n_submitted_jobs - len(pending) + seeds = seed_sequence.spawn(n_remaining_slots) + for i in range(n_remaining_slots): + future = executor.submit( + _permutation_montecarlo_classwise_shapley_one_step, + u_ref, + truncation=truncation, + done_sample_complements=done_sample_complements, + use_default_scorer_value=use_default_scorer_value, + min_elements_per_label=min_elements_per_label, + algorithm_name=algorithm, + seed=seeds[i], + ) + pending.add(future) + + result = accumulated_result + if normalize_values: + result = _normalize_classwise_shapley_values(result, u) + + return result + + +def _permutation_montecarlo_classwise_shapley_one_step( + u: Utility, + *, + done_sample_complements: StoppingCriterion = None, + truncation: TruncationPolicy, + use_default_scorer_value: bool = True, + min_elements_per_label: int = 1, + algorithm_name: str = "classwise_shapley", + seed: Optional[SeedSequence] = None, +) -> ValuationResult: + """Helper function for [compute_classwise_shapley_values()] + [pydvl.value.shapley.classwise.compute_classwise_shapley_values]. + + + Args: + u: Utility object containing model, data, and scoring function. The + scorer must be of type [ClasswiseScorer] + [pydvl.value.shapley.classwise.ClasswiseScorer]. + done_sample_complements: Function checking whether computation needs to stop. + Otherwise, it will resample conditional sets until the stopping criterion is + met. + truncation: Callable function that decides whether to interrupt processing a + permutation and set subsequent marginals to zero. + use_default_scorer_value: The first set of indices is the sampled complement + set. Unless not otherwise specified, the default scorer value is used for + this. If it is set to false, the base score is calculated from the utility. + min_elements_per_label: The minimum number of elements for each opposite + label. + algorithm_name: For the results object. + seed: Either an instance of a numpy random number generator or a seed for it. + + Returns: + ValuationResult object containing computed data values. + """ + if done_sample_complements is None: + done_sample_complements = MaxChecks(1) + + result = ValuationResult.zeros( + algorithm=algorithm_name, indices=u.data.indices, data_names=u.data.data_names + ) + rng = np.random.default_rng(seed) + x_train, y_train = u.data.get_training_data(u.data.indices) + unique_labels = np.unique(y_train) + scorer = cast(ClasswiseScorer, copy(u.scorer)) + u.scorer = scorer + + for label in unique_labels: + u.scorer.label = label + class_indices_set, class_complement_indices_set = _split_indices_by_label( + u.data.indices, y_train, label + ) + _, complement_y_train = u.data.get_training_data(class_complement_indices_set) + indices_permutation = rng.permutation(class_indices_set) + done_sample_complements.reset() + + for subset_idx, subset_complement in enumerate( + random_powerset_label_min( + class_complement_indices_set, + complement_y_train, + min_elements_per_label=min_elements_per_label, + seed=rng, + ) + ): + result += _permutation_montecarlo_shapley_rollout( + u, + indices_permutation, + additional_indices=subset_complement, + truncation=truncation, + algorithm_name=algorithm_name, + use_default_scorer_value=use_default_scorer_value, + ) + if done_sample_complements(result): + break + + return result + + +def _normalize_classwise_shapley_values( + result: ValuationResult, u: Utility +) -> ValuationResult: + r""" + Normalize a valuation result specific to classwise Shapley. + + Each value $v_i$ associated with the sample $(x_i, y_i)$ is normalized by + multiplying it with $a_S(D_{y_i})$ and dividing by $\sum_{j \in D_{y_i}} v_j$. For + more details, see (Schoch et al., 2022) 1 + . + + Args: + result: ValuationResult object to be normalized. + u: Utility object containing model, data, and scoring function. The + scorer must be of type [ClasswiseScorer] + [pydvl.value.shapley.classwise.ClasswiseScorer]. + + Returns: + Normalized ValuationResult object. + """ + y_train = u.data.y_train + unique_labels = np.unique(np.concatenate((y_train, u.data.y_test))) + scorer = cast(ClasswiseScorer, u.scorer) + + for idx_label, label in enumerate(unique_labels): + scorer.label = label + active_elements = y_train == label + indices_label_set = np.where(active_elements)[0] + indices_label_set = u.data.indices[indices_label_set] + + u.model.fit(u.data.x_train, u.data.y_train) + scorer.label = label + in_class_acc, _ = scorer.estimate_in_class_and_out_of_class_score( + u.model, u.data.x_test, u.data.y_test + ) + + sigma = np.sum(result.values[indices_label_set]) + if sigma != 0: + result.scale(in_class_acc / sigma, indices=indices_label_set) + + return result + + +def _permutation_montecarlo_shapley_rollout( + u: Utility, + permutation: NDArray[np.int_], + truncation: TruncationPolicy, + algorithm_name: str, + additional_indices: Optional[NDArray[np.int_]] = None, + use_default_scorer_value: bool = True, +) -> ValuationResult: + """ + Represents a truncated version of a permutation-based MC estimator. It iterates over + all subsets starting from the empty set to the full set of indices as specified by + `permutation`. For each subset, the marginal contribution is computed and added to + the result. The computation is interrupted if the truncation policy returns `True`. + + !!! Todo + Reuse in [permutation_montecarlo_shapley()] + [pydvl.value.shapley.montecarlo.permutation_montecarlo_shapley] + + Args: + u: Utility object containing model, data, and scoring function. + permutation: Permutation of indices to be considered. + truncation: Callable which decides whether to interrupt processing a + permutation and set all subsequent marginals to zero. + algorithm_name: For the results object. Used internally by different + variants of Shapley using this subroutine + additional_indices: Set of additional indices for data points which should be + always considered. + use_default_scorer_value: Use default scorer value even if additional_indices + is not None. + + Returns: + ValuationResult object containing computed data values. + """ + if ( + additional_indices is not None + and len(np.intersect1d(permutation, additional_indices)) > 0 + ): + raise ValueError( + "The class label set and the complement set have to be disjoint." + ) + + result = ValuationResult.zeros( + algorithm=algorithm_name, indices=u.data.indices, data_names=u.data.data_names + ) + + prev_score = ( + u.default_score + if ( + use_default_scorer_value + or additional_indices is None + or additional_indices is not None + and len(additional_indices) == 0 + ) + else u(additional_indices) + ) + + truncation_u = u + if additional_indices is not None: + # hack to calculate the correct value in reset. + truncation_indices = np.sort(np.concatenate((permutation, additional_indices))) + truncation_u = Utility( + u.model, + Dataset( + u.data.x_train[truncation_indices], + u.data.y_train[truncation_indices], + u.data.x_test, + u.data.y_test, + ), + u.scorer, + ) + truncation.reset(truncation_u) + + is_terminated = False + for i, idx in enumerate(permutation): + if is_terminated or (is_terminated := truncation(i, prev_score)): + score = prev_score + else: + score = u( + np.concatenate((permutation[: i + 1], additional_indices)) + if additional_indices is not None and len(additional_indices) > 0 + else permutation[: i + 1] + ) + + marginal = score - prev_score + result.update(idx, marginal) + prev_score = score + + return result + + +def _split_indices_by_label( + indices: NDArray[np.int_], labels: NDArray[np.int_], label: int +) -> Tuple[NDArray[np.int_], NDArray[np.int_]]: + """ + Splits the indices into two sets based on the value of `label`, e.g. those samples + with and without that label. + + Args: + indices: The indices to be used for referring to the data. + labels: Corresponding labels for the indices. + label: Label to be used for splitting. + + Returns: + Tuple with two sets of indices. + """ + active_elements = labels == label + class_indices_set = np.where(active_elements)[0] + class_complement_indices_set = np.where(~active_elements)[0] + class_indices_set = indices[class_indices_set] + class_complement_indices_set = indices[class_complement_indices_set] + return class_indices_set, class_complement_indices_set diff --git a/src/pydvl/value/shapley/gt.py b/src/pydvl/value/shapley/gt.py index b193af6e5..2d3be7710 100644 --- a/src/pydvl/value/shapley/gt.py +++ b/src/pydvl/value/shapley/gt.py @@ -17,8 +17,10 @@ ## References [^1]: Jia, R. et al., 2019. - [Towards Efficient Data Valuation Based on the Shapley Value](https://proceedings.mlr.press/v89/jia19a.html). - In: Proceedings of the 22nd International Conference on Artificial Intelligence and Statistics, pp. 1167–1176. PMLR. + [Towards Efficient Data Valuation Based on the Shapley + Value](https://proceedings.mlr.press/v89/jia19a.html). + In: Proceedings of the 22nd International Conference on Artificial + Intelligence and Statistics, pp. 1167–1176. PMLR. """ import logging from collections import namedtuple diff --git a/src/pydvl/value/shapley/truncated.py b/src/pydvl/value/shapley/truncated.py index 5e9f3f729..b54c8f6b3 100644 --- a/src/pydvl/value/shapley/truncated.py +++ b/src/pydvl/value/shapley/truncated.py @@ -8,7 +8,7 @@ """ import abc import logging -from typing import cast +from typing import Optional, cast import numpy as np from deprecate import deprecated @@ -16,7 +16,7 @@ from pydvl.parallel.config import ParallelConfig from pydvl.utils import Utility, running_moments from pydvl.value import ValuationResult -from pydvl.value.stopping import StoppingCriterion +from pydvl.value.stopping import MaxChecks, StoppingCriterion __all__ = [ "TruncationPolicy", @@ -58,7 +58,7 @@ def _check(self, idx: int, score: float) -> bool: ... @abc.abstractmethod - def reset(self): + def reset(self, u: Optional[Utility] = None): """Reset the policy to a state ready for a new permutation.""" ... @@ -84,7 +84,7 @@ class NoTruncation(TruncationPolicy): def _check(self, idx: int, score: float) -> bool: return False - def reset(self): + def reset(self, u: Optional[Utility] = None): pass @@ -115,7 +115,7 @@ def _check(self, idx: int, score: float) -> bool: self.count += 1 return self.count >= self.max_marginals - def reset(self): + def reset(self, u: Optional[Utility] = None): self.count = 0 @@ -134,14 +134,18 @@ def __init__(self, u: Utility, rtol: float): super().__init__() self.rtol = rtol logger.info("Computing total utility for permutation truncation.") - self.total_utility = u(u.data.indices) + self.total_utility = self.reset(u) + self._u = u def _check(self, idx: int, score: float) -> bool: # Explicit cast for the benefit of mypy 🤷 return bool(np.allclose(score, self.total_utility, rtol=self.rtol)) - def reset(self): - pass + def reset(self, u: Optional[Utility] = None): + if u is None: + u = self._u + + self.total_utility = u(u.data.indices) class BootstrapTruncation(TruncationPolicy): @@ -179,7 +183,7 @@ def _check(self, idx: int, score: float) -> bool: self.sigmas * np.sqrt(self.variance) ) - def reset(self): + def reset(self, u: Optional[Utility] = None): self.count = 0 self.variance = self.mean = 0 diff --git a/src/pydvl/value/stopping.py b/src/pydvl/value/stopping.py index f2a236340..4ce4b27e8 100644 --- a/src/pydvl/value/stopping.py +++ b/src/pydvl/value/stopping.py @@ -226,6 +226,9 @@ def completion(self) -> float: return 0.0 return float(np.mean(self.converged).item()) + def reset(self): + pass + @property def converged(self) -> NDArray[np.bool_]: """Returns a boolean array indicating whether the values have converged @@ -413,7 +416,7 @@ def __init__(self, n_checks: Optional[int], modify_result: bool = True): def _check(self, result: ValuationResult) -> Status: if self.n_checks: self._count += 1 - if self._count > self.n_checks: + if self._count >= self.n_checks: self._converged = np.ones_like(result.values, dtype=bool) return Status.Converged return Status.Pending @@ -423,6 +426,9 @@ def completion(self) -> float: return min(1.0, self._count / self.n_checks) return 0.0 + def reset(self): + self._count = 0 + def __str__(self): return f"MaxChecks(n_checks={self.n_checks})" @@ -546,6 +552,9 @@ def completion(self) -> float: return 0.0 return (time() - self.start) / self.max_seconds + def reset(self): + self.start = time() + def __str__(self): return f"MaxTime(seconds={self.max_seconds})" @@ -622,7 +631,7 @@ def _check(self, r: ValuationResult) -> Status: quots = np.divide(diffs, curr[ii], out=diffs, where=curr[ii] != 0) # quots holds the quotients when the denominator is non-zero, and # the absolute difference, which is just the memory, otherwise. - if np.mean(quots) < self.rtol: + if len(quots) > 0 and np.mean(quots) < self.rtol: self._converged = self.update_op( self._converged, r.counts > self.n_steps ) # type: ignore @@ -630,5 +639,8 @@ def _check(self, r: ValuationResult) -> Status: return Status.Converged return Status.Pending + def reset(self): + self._memory = None # type: ignore + def __str__(self): return f"HistoryDeviation(n_steps={self.n_steps}, rtol={self.rtol})" diff --git a/tests/utils/test_numeric.py b/tests/utils/test_numeric.py index 13423b286..b722c24f8 100644 --- a/tests/utils/test_numeric.py +++ b/tests/utils/test_numeric.py @@ -5,6 +5,7 @@ powerset, random_matrix_with_condition_number, random_powerset, + random_powerset_label_min, random_subset_of_size, running_moments, ) @@ -248,3 +249,27 @@ def test_running_moments(): true_variances = [np.var(vv) for vv in values] assert np.allclose(means, true_means) assert np.allclose(variances, true_variances) + + +@pytest.mark.parametrize( + "min_elements_per_label,num_elements_per_label,num_labels,check_num_samples", + [(0, 10, 3, 1000), (1, 10, 3, 1000), (2, 10, 3, 1000)], +) +def test_random_powerset_label_min( + min_elements_per_label: int, + num_elements_per_label: int, + num_labels: int, + check_num_samples: int, +): + s = np.arange(num_labels * num_elements_per_label) + labels = np.arange(num_labels).repeat(num_elements_per_label) + + for idx, subset in enumerate( + random_powerset_label_min(s, labels, min_elements_per_label) + ): + assert np.all(np.isin(subset, s)) + for group in np.unique(labels): + assert np.sum(group == labels[subset]) >= min_elements_per_label + + if idx == check_num_samples: + break diff --git a/tests/value/shapley/test_classwise.py b/tests/value/shapley/test_classwise.py new file mode 100644 index 000000000..bd4f55a5d --- /dev/null +++ b/tests/value/shapley/test_classwise.py @@ -0,0 +1,416 @@ +from typing import Dict, Tuple, cast + +import numpy as np +import pandas as pd +import pytest +from numpy.typing import NDArray + +from pydvl.utils import Dataset, Utility, powerset +from pydvl.value import MaxChecks, ValuationResult +from pydvl.value.shapley.classwise import ( + ClasswiseScorer, + compute_classwise_shapley_values, +) +from pydvl.value.shapley.truncated import NoTruncation +from tests.value import check_values + + +@pytest.fixture(scope="function") +def classwise_shapley_exact_solution() -> Tuple[Dict, ValuationResult, Dict]: + """ + See [classwise.py][pydvl.value.shapley.classwise] for details of the derivation. + """ + return ( + { + "normalize_values": False, + }, + ValuationResult( + values=np.array( + [ + 1 / 6 * np.exp(1 / 4), + 1 / 3 * np.exp(1 / 4), + 1 / 12 * np.exp(1 / 4) + 1 / 24 * np.exp(1 / 2), + 1 / 8 * np.exp(1 / 2), + ] + ) + ), + {"atol": 0.05}, + ) + + +@pytest.fixture(scope="function") +def classwise_shapley_exact_solution_normalized( + classwise_shapley_exact_solution, +) -> Tuple[Dict, ValuationResult, Dict]: + """ + It additionally normalizes the values using the argument `normalize_values`. See + [classwise.py][pydvl.value.shapley.classwise] for details of the derivation. + """ + values = classwise_shapley_exact_solution[1].values + label_zero_coefficient = 1 / np.exp(1 / 4) + label_one_coefficient = 1 / (1 / 3 * np.exp(1 / 4) + 2 / 3 * np.exp(1 / 2)) + + return ( + { + "normalize_values": True, + }, + ValuationResult( + values=np.array( + [ + values[0] * label_zero_coefficient, + values[1] * label_zero_coefficient, + values[2] * label_one_coefficient, + values[3] * label_one_coefficient, + ] + ) + ), + {"atol": 0.05}, + ) + + +@pytest.fixture(scope="function") +def classwise_shapley_exact_solution_no_default() -> Tuple[Dict, ValuationResult, Dict]: + """ + Note that this special case doesn't set the utility to 0 if the permutation is + empty. See [classwise.py][pydvl.value.shapley.classwise] for details of the + derivation. + """ + return ( + { + "use_default_scorer_value": False, + "normalize_values": False, + }, + ValuationResult( + values=np.array( + [ + 1 / 24 * np.exp(1 / 4), + 5 / 24 * np.exp(1 / 4), + 1 / 12 * np.exp(1 / 4) + 1 / 24 * np.exp(1 / 2), + 1 / 8 * np.exp(1 / 2), + ] + ) + ), + {"atol": 0.05}, + ) + + +@pytest.fixture(scope="function") +def classwise_shapley_exact_solution_no_default_allow_empty_set() -> ( + Tuple[Dict, ValuationResult, Dict] +): + r""" + Note that this special case doesn't set the utility to 0 if the permutation is + empty and additionally allows $S^{(k)} = \emptyset$. See + [classwise.py][pydvl.value.shapley.classwise] for details of the derivation. + """ + return ( + { + "use_default_scorer_value": False, + "min_elements_per_label": 0, + "normalize_values": False, + }, + ValuationResult( + values=np.array( + [ + 3 / 32 + 1 / 32 * np.exp(1 / 4), + 3 / 32 + 5 / 32 * np.exp(1 / 4), + 5 / 32 * np.exp(1 / 4) + 1 / 32 * np.exp(1 / 2), + 1 / 32 * np.exp(1 / 4) + 3 / 32 * np.exp(1 / 2), + ] + ) + ), + {"atol": 0.05}, + ) + + +@pytest.mark.parametrize("n_samples", [500], ids=lambda x: "n_samples={}".format(x)) +@pytest.mark.parametrize( + "n_resample_complement_sets", + [1], + ids=lambda x: "n_resample_complement_sets={}".format(x), +) +@pytest.mark.parametrize( + "exact_solution", + [ + "classwise_shapley_exact_solution", + "classwise_shapley_exact_solution_normalized", + "classwise_shapley_exact_solution_no_default", + "classwise_shapley_exact_solution_no_default_allow_empty_set", + ], +) +def test_classwise_shapley( + classwise_shapley_utility: Utility, + exact_solution: Tuple[Dict, ValuationResult, Dict], + n_samples: int, + n_resample_complement_sets: int, + request, +): + args, exact_solution, check_args = request.getfixturevalue(exact_solution) + values = compute_classwise_shapley_values( + classwise_shapley_utility, + done=MaxChecks(n_samples), + truncation=NoTruncation(), + done_sample_complements=MaxChecks(n_resample_complement_sets), + **args, + progress=True, + ) + check_values(values, exact_solution, **check_args) + assert np.all(values.counts == n_samples * n_resample_complement_sets) + + +def test_classwise_scorer_representation(): + """ + Tests the (string) representation of the ClassWiseScorer. + """ + + scorer = ClasswiseScorer("accuracy", initial_label=0) + assert str(scorer) == "classwise accuracy" + assert repr(scorer) == "ClasswiseAccuracy (scorer=make_scorer(accuracy_score))" + + +@pytest.mark.parametrize("n_element, left_margin, right_margin", [(101, 0.3, 0.4)]) +def test_classwise_scorer_utility(dataset_left_right_margins): + """ + Tests whether the ClassWiseScorer returns the expected utility value. + See [classwise.py][pydvl.value.shapley.classwise] for more details. + """ + scorer = ClasswiseScorer("accuracy", initial_label=0) + x, y, info = dataset_left_right_margins + n_element = len(x) + target_in_cls_acc_0 = (info["left_margin"] * 100 + 1) / n_element + target_out_of_cls_acc_0 = (info["right_margin"] * 100 + 1) / n_element + + model = ThresholdClassifier() + in_cls_acc_0, out_of_cls_acc_0 = scorer.estimate_in_class_and_out_of_class_score( + model, x, y + ) + assert np.isclose(in_cls_acc_0, target_in_cls_acc_0) + assert np.isclose(out_of_cls_acc_0, target_out_of_cls_acc_0) + + value = scorer(model, x, y) + assert np.isclose(value, in_cls_acc_0 * np.exp(out_of_cls_acc_0)) + + scorer.label = 1 + value = scorer(model, x, y) + assert np.isclose(value, out_of_cls_acc_0 * np.exp(in_cls_acc_0)) + + +@pytest.mark.parametrize("n_element, left_margin, right_margin", [(101, 0.3, 0.4)]) +def test_classwise_scorer_is_symmetric( + dataset_left_right_margins, +): + """ + Tests whether the ClassWiseScorer is symmetric. For a two-class classification the + in-class accuracy for the first label needs to match the out-of-class accuracy for + the second label. See [classwise.py][pydvl.value.shapley.classwise] for more + details. + """ + scorer = ClasswiseScorer("accuracy", initial_label=0) + x, y, info = dataset_left_right_margins + model = ThresholdClassifier() + in_cls_acc_0, out_of_cls_acc_0 = scorer.estimate_in_class_and_out_of_class_score( + model, x, y + ) + scorer.label = 1 + in_cls_acc_1, out_of_cls_acc_1 = scorer.estimate_in_class_and_out_of_class_score( + model, x, y + ) + assert in_cls_acc_1 == out_of_cls_acc_0 + assert in_cls_acc_0 == out_of_cls_acc_1 + + +def test_classwise_scorer_accuracies_manual_derivation( + classwise_shapley_utility: Utility, +): + """ + Tests whether the model of the scorer is fitted correctly and returns the expected + in-class and out-of-class accuracies. See + [classwise.py][pydvl.value.shapley.classwise] for more details. + """ + subsets_zero = list(powerset(np.array((0, 1)))) + subsets_one = list(powerset(np.array((2, 3)))) + subsets_zero = [tuple(s) for s in subsets_zero] + subsets_one = [tuple(s) for s in subsets_one] + target_accuracies_zero = pd.DataFrame( + [ + [0, 1 / 4, 1 / 4, 1 / 4], + [3 / 4, 1 / 4, 1 / 2, 1 / 4], + [3 / 4, 1 / 2, 1 / 2, 1 / 2], + [3 / 4, 1 / 2, 1 / 2, 1 / 2], + ], + index=subsets_zero, + columns=subsets_one, + ) + target_accuracies_one = pd.DataFrame( + [ + [0, 1 / 4, 1 / 4, 1 / 4], + [0, 1 / 4, 1 / 4, 1 / 4], + [0, 1 / 4, 1 / 4, 1 / 4], + [0, 1 / 4, 1 / 4, 1 / 4], + ], + index=subsets_zero, + columns=subsets_one, + ) + model = classwise_shapley_utility.model + scorer = cast(ClasswiseScorer, classwise_shapley_utility.scorer) + scorer.label = 0 + + for set_zero_idx in range(len(subsets_zero)): + for set_one_idx in range(len(subsets_one)): + indices = list(subsets_zero[set_zero_idx] + subsets_one[set_one_idx]) + ( + x_train, + y_train, + ) = classwise_shapley_utility.data.get_training_data(indices) + classwise_shapley_utility.model.fit(x_train, y_train) + + ( + x_test, + y_test, + ) = classwise_shapley_utility.data.get_test_data() + ( + in_cls_acc_0, + in_cls_acc_1, + ) = scorer.estimate_in_class_and_out_of_class_score(model, x_test, y_test) + assert ( + in_cls_acc_0 == target_accuracies_zero.iloc[set_zero_idx, set_one_idx] + ) + assert in_cls_acc_1 == target_accuracies_one.iloc[set_zero_idx, set_one_idx] + + +@pytest.mark.parametrize("n_element, left_margin, right_margin", [(101, 0.3, 0.4)]) +def test_classwise_scorer_accuracies_left_right_margins(dataset_left_right_margins): + """ + Tests whether the model of the scorer is fitted correctly and returns the expected + in-class and out-of-class accuracies. See + [classwise.py][pydvl.value.shapley.classwise] for more details. + """ + scorer = ClasswiseScorer("accuracy", initial_label=0) + x, y, info = dataset_left_right_margins + n_element = len(x) + + target_in_cls_acc_0 = (info["left_margin"] * 100 + 1) / n_element + target_out_of_cls_acc_0 = (info["right_margin"] * 100 + 1) / n_element + + model = ThresholdClassifier() + in_cls_acc_0, out_of_cls_acc_0 = scorer.estimate_in_class_and_out_of_class_score( + model, x, y + ) + assert np.isclose(in_cls_acc_0, target_in_cls_acc_0) + assert np.isclose(out_of_cls_acc_0, target_out_of_cls_acc_0) + + +def test_closed_form_linear_classifier( + classwise_shapley_utility: Utility, +): + """ + Tests whether the model is fitted correctly and contains the right $\beta$ + parameter. See [classwise.py][pydvl.value.shapley.classwise] for more details. + """ + subsets_zero = list(powerset(np.array((0, 1)))) + subsets_one = list(powerset(np.array((2, 3)))) + subsets_zero = [tuple(s) for s in subsets_zero] + subsets_one = [tuple(s) for s in subsets_one] + target_betas = pd.DataFrame( + [ + [np.nan, 1 / 3, 1 / 4, 7 / 25], + [0, 3 / 10, 4 / 17, 7 / 26], + [0, 3 / 13, 1 / 5, 7 / 29], + [0, 3 / 14, 4 / 21, 7 / 30], + ], + index=subsets_zero, + columns=subsets_one, + ) + scorer = cast(ClasswiseScorer, classwise_shapley_utility.scorer) + scorer.label = 0 + + for set_zero_idx in range(len(subsets_zero)): + for set_one_idx in range(len(subsets_one)): + indices = list(subsets_zero[set_zero_idx] + subsets_one[set_one_idx]) + ( + x_train, + y_train, + ) = classwise_shapley_utility.data.get_training_data(indices) + classwise_shapley_utility.model.fit(x_train, y_train) + fitted_beta = classwise_shapley_utility.model._beta # noqa + target_beta = target_betas.iloc[set_zero_idx, set_one_idx] + assert ( + np.isnan(fitted_beta) + if np.isnan(target_beta) + else fitted_beta == target_beta + ) + + +class ThresholdClassifier: + def fit(self, x: NDArray, y: NDArray) -> float: + raise NotImplementedError("Mock model") + + def predict(self, x: NDArray) -> NDArray: + y = 0.5 < x + return y[:, 0].astype(int) + + def score(self, x: NDArray, y: NDArray) -> float: + raise NotImplementedError("Mock model") + + +class ClosedFormLinearClassifier: + def __init__(self): + self._beta = None + + def fit(self, x: NDArray, y: NDArray) -> float: + v = x[:, 0] + self._beta = np.dot(v, y) / np.dot(v, v) + return -1 + + def predict(self, x: NDArray) -> NDArray: + if self._beta is None: + raise AttributeError("Model not fitted") + + x = x[:, 0] + probs = self._beta * x + return np.clip(np.round(probs + 1e-10), 0, 1).astype(int) + + def score(self, x: NDArray, y: NDArray) -> float: + pred_y = self.predict(x) + return np.sum(pred_y == y) / 4 + + +@pytest.fixture(scope="function") +def classwise_shapley_utility( + dataset_manual_derivation: Dataset, +) -> Utility: + return Utility( + ClosedFormLinearClassifier(), + dataset_manual_derivation, + ClasswiseScorer("accuracy"), + catch_errors=False, + ) + + +@pytest.fixture(scope="function") +def dataset_manual_derivation() -> Dataset: + """ + See [classwise.py][pydvl.value.shapley.classwise] for more details. + """ + x_train = np.arange(1, 5).reshape([-1, 1]) + y_train = np.array([0, 0, 1, 1]) + x_test = x_train + y_test = np.array([0, 0, 0, 1]) + return Dataset(x_train, y_train, x_test, y_test) + + +@pytest.fixture(scope="function") +def dataset_left_right_margins( + n_element: int, left_margin: float, right_margin: float +) -> Tuple[NDArray[np.float_], NDArray[np.int_], Dict[str, float]]: + """ + The label set is represented as 0000011100011111, with adjustable left and right + margins. The left margin denotes the percentage of zeros at the beginning, while the + right margin denotes the percentage of ones at the end. Accuracy can be efficiently + calculated using a closed-form solution. + """ + x = np.linspace(0, 1, n_element) + y = ((left_margin <= x) & (x < 0.5)) | ((1 - right_margin) <= x) + y = y.astype(int) + x = np.expand_dims(x, -1) + return x, y, {"left_margin": left_margin, "right_margin": right_margin} diff --git a/tests/value/test_stopping.py b/tests/value/test_stopping.py index c57d5f56f..7399dc9c3 100644 --- a/tests/value/test_stopping.py +++ b/tests/value/test_stopping.py @@ -193,6 +193,6 @@ def test_max_checks(): assert not done(v) done = MaxChecks(5) - for _ in range(5): + for _ in range(4): assert not done(v) assert done(v)