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Probabilistic classification

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Inmachine learning, aprobabilistic classifier is aclassifier that is able to predict, given an observation of an input, aprobability distribution over aset of classes, rather than only outputting the most likely class that the observation should belong to. Probabilistic classifiers provide classification that can be useful in its own right[1] or when combining classifiers intoensembles.

Types of classification

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Formally, an "ordinary" classifier is some rule, orfunction, that assigns to a samplex a class labelŷ:

y^=f(x){\displaystyle {\hat {y}}=f(x)}

The samples come from some setX (e.g., the set of alldocuments, or the set of allimages), while the class labels form a finite setY defined prior to training.

Probabilistic classifiers generalize this notion of classifiers: instead of functions, they areconditional distributionsPr(Y|X){\displaystyle \Pr(Y\vert X)}, meaning that for a givenxX{\displaystyle x\in X}, they assign probabilities to allyY{\displaystyle y\in Y} (and these probabilities sum to one). "Hard" classification can then be done using theoptimal decision rule[2]: 39–40 

y^=argmaxyPr(Y=y|X){\displaystyle {\hat {y}}=\operatorname {\arg \max } _{y}\Pr(Y=y\vert X)}

or, in English, the predicted class is that which has the highest probability.

Binary probabilistic classifiers are also calledbinary regression models instatistics. Ineconometrics, probabilistic classification in general is calleddiscrete choice.

Some classification models, such asnaive Bayes,logistic regression andmultilayer perceptrons (when trained under an appropriateloss function) are naturally probabilistic. Other models such assupport vector machines are not, butmethods exist to turn them into probabilistic classifiers.

Generative and conditional training

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Some models, such aslogistic regression, are conditionally trained: they optimize the conditional probabilityPr(Y|X){\displaystyle \Pr(Y\vert X)} directly on a training set (seeempirical risk minimization). Other classifiers, such asnaive Bayes, are trainedgeneratively: at training time, the class-conditional distributionPr(X|Y){\displaystyle \Pr(X\vert Y)} and the classpriorPr(Y){\displaystyle \Pr(Y)} are found, and the conditional distributionPr(Y|X){\displaystyle \Pr(Y\vert X)} is derived usingBayes' rule.[2]: 43 

Probability calibration

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Main article:Calibration (statistics)

Not all classification models are naturally probabilistic, and some that are, notably naive Bayes classifiers,decision trees andboosting methods, produce distorted class probability distributions.[3] In the case of decision trees, wherePr(y|x) is the proportion of training samples with labely in the leaf wherex ends up, these distortions come about because learning algorithms such asC4.5 orCART explicitly aim to produce homogeneous leaves (giving probabilities close to zero or one, and thus highbias) while using few samples to estimate the relevant proportion (highvariance).[4]

An example calibration plot

Calibration can be assessed using acalibration plot (also called areliability diagram).[3][5] A calibration plot shows the proportion of items in each class for bands of predicted probability or score (such as a distorted probability distribution or the "signed distance to the hyperplane" in a support vector machine). Deviations from the identity function indicate a poorly-calibrated classifier for which the predicted probabilities or scores can not be used as probabilities. In this case one can use a method to turn these scores into properlycalibrated class membership probabilities.

For thebinary case, a common approach is to applyPlatt scaling, which learns alogistic regression model on the scores.[6]An alternative method usingisotonic regression[7] is generally superior to Platt's method when sufficient training data is available.[3]

In themulticlass case, one can use a reduction to binary tasks, followed by univariate calibration with an algorithm as described above and further application of the pairwise coupling algorithm by Hastie and Tibshirani.[8]

Evaluating probabilistic classification

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Models are assessed via Accuracy, Calibration, Sharpness (minimal uncertainty), and Dispersion (similar uncertainties everywhere).

A method used to assign scores to pairs of predicted probabilities and actual discrete outcomes, so that different predictive methods can be compared, is called ascoring rule. Scoring rules are used to compare the predicted probability to observed outcomes, these include for examplelog loss,Brier score,Continuous ranked probability score and others.

Specific aspects like accuracy, calibration, sharpness or dispersion may vary from one probabilistic classifier to another one and may be specifically investigated.

Calibration errors metrics aim to quantify the extent to which a probabilistic classifier's outputs arewell-calibrated. AsPhilip Dawid put it, "a forecaster is well-calibrated if, for example, of those events to which he assigns a probability 30 percent, the long-run proportion that actually occurs turns out to be 30 percent".[9] Foundational work in the domain of measuring calibration error is the Expected Calibration Error (ECE) metric.[10] More recent works propose variants to ECE that address limitations of the ECE metric that may arise when classifier scores concentrate on narrow subset of the [0,1], including the Adaptive Calibration Error (ACE)[11] and Test-based Calibration Error (TCE).[12]

Software Implementations

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  • MoRPE[13] is a trainable probabilistic classifier that usesisotonic regression for probability calibration. It solves themulticlass case by reduction to binary tasks. It is a type of kernel machine that uses an inhomogeneous polynomial kernel.

References

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  1. ^Hastie, Trevor; Tibshirani, Robert; Friedman, Jerome (2009).The Elements of Statistical Learning. p. 348. Archived fromthe original on 2015-01-26.[I]ndata mining applications the interest is often more in the class probabilitiesp(x),=1,,K{\displaystyle p_{\ell }(x),\ell =1,\dots ,K} themselves, rather than in performing a class assignment.
  2. ^abBishop, Christopher M. (2006).Pattern Recognition and Machine Learning. Springer.
  3. ^abcNiculescu-Mizil, Alexandru; Caruana, Rich (2005).Predicting good probabilities with supervised learning(PDF). ICML.doi:10.1145/1102351.1102430. Archived fromthe original(PDF) on 2014-03-11.
  4. ^Zadrozny, Bianca; Elkan, Charles (2001).Obtaining calibrated probability estimates from decision trees and naive Bayesian classifiers(PDF). ICML. pp. 609–616.
  5. ^"Probability calibration".jmetzen.github.io. Retrieved2019-06-18.
  6. ^Platt, John (1999)."Probabilistic outputs for support vector machines and comparisons to regularized likelihood methods".Advances in Large Margin Classifiers.10 (3):61–74.
  7. ^Zadrozny, Bianca; Elkan, Charles (2002)."Transforming classifier scores into accurate multiclass probability estimates"(PDF).Proceedings of the eighth ACM SIGKDD international conference on Knowledge discovery and data mining - KDD '02. pp. 694–699.CiteSeerX 10.1.1.164.8140.doi:10.1145/775047.775151.ISBN 978-1-58113-567-1.S2CID 3349576.CiteSeerX:10.1.1.13.7457.
  8. ^Hastie, Trevor; Tibshirani, Robert (1998). "Classification by pairwise coupling".The Annals of Statistics.26 (2):451–471.CiteSeerX 10.1.1.309.4720.doi:10.1214/aos/1028144844.Zbl 0932.62071.CiteSeerX:10.1.1.46.6032.
  9. ^Dawid, A. P (1982). "The Well-Calibrated Bayesian".Journal of the American Statistical Association.77 (379):605–610.doi:10.1080/01621459.1982.10477856.
  10. ^Naeini, M.P.; Cooper, G.; Hauskrecht, M. (2015)."Obtaining well calibrated probabilities using bayesian binning"(PDF).Proceedings of the AAAI Conference on Artificial Intelligence.
  11. ^Nixon, J.; Dusenberry, M.W.; Zhang, L.; Jerfel, G.; Tran, D. (2019)."Measuring Calibration in Deep Learning"(PDF).CVPR workshops.
  12. ^Matsubara, T.; Tax, N.; Mudd, R.; Guy, I. (2023). "TCE: A Test-Based Approach to Measuring Calibration Error".Proceedings of the Thirty-Ninth Conference on Uncertainty in Artificial Intelligence (UAI).arXiv:2306.14343.
  13. ^"MoRPE".GitHub. Retrieved17 February 2023.
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