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 Konstantinov, Andrei V.


A novel gradient-based method for decision trees optimizing arbitrary differential loss functions

arXiv.org Machine Learning

There are many approaches for training decision trees. This work introduces a novel gradient-based method for constructing decision trees that optimize arbitrary differentiable loss functions, overcoming the limitations of heuristic splitting rules. Unlike traditional approaches that rely on heuristic splitting rules, the proposed method refines predictions using the first and second derivatives of the loss function, enabling the optimization of complex tasks such as classification, regression, and survival analysis. We demonstrate the method's applicability to classification, regression, and survival analysis tasks, including those with censored data. Numerical experiments on both real and synthetic datasets compare the proposed method with traditional decision tree algorithms, such as CART, Extremely Randomized Trees, and SurvTree. The implementation of the method is publicly available, providing a practical tool for researchers and practitioners. This work advances the field of decision tree-based modeling, offering a more flexible and accurate approach for handling structured data and complex tasks. By leveraging gradient-based optimization, the proposed method bridges the gap between traditional decision trees and modern machine learning techniques, paving the way for further innovations in interpretable and high-performing models.


Survival Concept-Based Learning Models

arXiv.org Machine Learning

Concept-based learning enhances prediction accuracy and interpretability by leveraging high-level, human-understandable concepts. However, existing CBL frameworks do not address survival analysis tasks, which involve predicting event times in the presence of censored data -- a common scenario in fields like medicine and reliability analysis. To bridge this gap, we propose two novel models: SurvCBM (Survival Concept-based Bottleneck Model) and SurvRCM (Survival Regularized Concept-based Model), which integrate concept-based learning with survival analysis to handle censored event time data. The models employ the Cox proportional hazards model and the Beran estimator. SurvCBM is based on the architecture of the well-known concept bottleneck model, offering interpretable predictions through concept-based explanations. SurvRCM uses concepts as regularization to enhance accuracy. Both models are trained end-to-end and provide interpretable predictions in terms of concepts. Two interpretability approaches are proposed: one leveraging the linear relationship in the Cox model and another using an instance-based explanation framework with the Beran estimator. Numerical experiments demonstrate that SurvCBM outperforms SurvRCM and traditional survival models, underscoring the importance and advantages of incorporating concept information. The code for the proposed algorithms is publicly available.


SurvBETA: Ensemble-Based Survival Models Using Beran Estimators and Several Attention Mechanisms

arXiv.org Artificial Intelligence

Many ensemble-based models have been proposed to solve machine learning problems in the survival analysis framework, including random survival forests, the gradient boosting machine with weak survival models, ensembles of the Cox models. To extend the set of models, a new ensemble-based model called SurvBETA (the Survival Beran estimator Ensemble using Three Attention mechanisms) is proposed where the Beran estimator is used as a weak learner in the ensemble. The Beran estimator can be regarded as a kernel regression model taking into account the relationship between instances. Outputs of weak learners in the form of conditional survival functions are aggregated with attention weights taking into account the distance between the analyzed instance and prototypes of all bootstrap samples. The attention mechanism is used three times: for implementation of the Beran estimators, for determining specific prototypes of bootstrap samples and for aggregating the weak model predictions. The proposed model is presented in two forms: in a general form requiring to solve a complex optimization problem for its training; in a simplified form by considering a special representation of the attention weights by means of the imprecise Huber's contamination model which leads to solving a simple optimization problem. Numerical experiments illustrate properties of the model on synthetic data and compare the model with other survival models on real data. A code implementing the proposed model is publicly available.


FI-CBL: A Probabilistic Method for Concept-Based Learning with Expert Rules

arXiv.org Machine Learning

A method for solving concept-based learning (CBL) problem is proposed. The main idea behind the method is to divide each concept-annotated image into patches, to transform the patches into embeddings by using an autoencoder, and to cluster the embeddings assuming that each cluster will mainly contain embeddings of patches with certain concepts. To find concepts of a new image, the method implements the frequentist inference by computing prior and posterior probabilities of concepts based on rates of patches from images with certain values of the concepts. Therefore, the proposed method is called the Frequentist Inference CBL (FI-CBL). FI-CBL allows us to incorporate the expert rules in the form of logic functions into the inference procedure. An idea behind the incorporation is to update prior and conditional probabilities of concepts to satisfy the rules. The method is transparent because it has an explicit sequence of probabilistic calculations and a clear frequency interpretation. Numerical experiments show that FI-CBL outperforms the concept bottleneck model in cases when the number of training data is small. The code of proposed algorithms is publicly available.


Incorporating Expert Rules into Neural Networks in the Framework of Concept-Based Learning

arXiv.org Machine Learning

A problem of incorporating the expert rules into machine learning models for extending the concept-based learning is formulated in the paper. It is proposed how to combine logical rules and neural networks predicting the concept probabilities. The first idea behind the combination is to form constraints for a joint probability distribution over all combinations of concept values to satisfy the expert rules. The second idea is to represent a feasible set of probability distributions in the form of a convex polytope and to use its vertices or faces. We provide several approaches for solving the stated problem and for training neural networks which guarantee that the output probabilities of concepts would not violate the expert rules. The solution of the problem can be viewed as a way for combining the inductive and deductive learning. Expert rules are used in a broader sense when any logical function that connects concepts and class labels or just concepts with each other can be regarded as a rule. This feature significantly expands the class of the proposed results. Numerical examples illustrate the approaches. The code of proposed algorithms is publicly available.


Generating Survival Interpretable Trajectories and Data

arXiv.org Machine Learning

A new model for generating survival trajectories and data based on applying an autoencoder of a specific structure is proposed. It solves three tasks. First, it provides predictions in the form of the expected event time and the survival function for a new generated feature vector on the basis of the Beran estimator. Second, the model generates additional data based on a given training set that would supplement the original dataset. Third, the most important, it generates a prototype time-dependent trajectory for an object, which characterizes how features of the object could be changed to achieve a different time to an event. The trajectory can be viewed as a type of the counterfactual explanation. The proposed model is robust during training and inference due to a specific weighting scheme incorporating into the variational autoencoder. The model also determines the censored indicators of new generated data by solving a classification task. The paper demonstrates the efficiency and properties of the proposed model using numerical experiments on synthetic and real datasets. The code of the algorithm implementing the proposed model is publicly available.


Dual feature-based and example-based explanation methods

arXiv.org Artificial Intelligence

A new approach to the local and global explanation is proposed. It is based on selecting a convex hull constructed for the finite number of points around an explained instance. The convex hull allows us to consider a dual representation of instances in the form of convex combinations of extreme points of a produced polytope. Instead of perturbing new instances in the Euclidean feature space, vectors of convex combination coefficients are uniformly generated from the unit simplex, and they form a new dual dataset. A dual linear surrogate model is trained on the dual dataset. The explanation feature importance values are computed by means of simple matrix calculations. The approach can be regarded as a modification of the well-known model LIME. The dual representation inherently allows us to get the example-based explanation. The neural additive model is also considered as a tool for implementing the example-based explanation approach. Many numerical experiments with real datasets are performed for studying the approach. The code of proposed algorithms is available.


SurvBeNIM: The Beran-Based Neural Importance Model for Explaining the Survival Models

arXiv.org Machine Learning

One of the important types of data in several applications is censored survival data processed in the framework of survival analysis [1, 2]. This type of data can be found in applications where objects are characterized by times to some events of interest, for example, by times to failure in reliability, times to recovery or times to death in medicine, times to bankruptcy of a bank or times to an economic crisis in economics. The important peculiarity of survival data is that the corresponding event does not necessarily occur during its observation period. In this case, we say about the so-called censored or right-censored data [3]. There are many machine learning models dealing with survival data, including models based on applying and extending the Cox proportional hazard model [4], for example, models presented in [5, 6], models based on a survival modification of random forests and called random survival forests (RSF) [7, 8, 9, 10, 11], models extending the neural networks [6, 12, 13, 14]. These models have gained considerable attention for their ability to analyze time-to-event data and to predict survival outcomes accurately. However, most models are perceived as black boxes, lacking interpretability.


SurvBeX: An explanation method of the machine learning survival models based on the Beran estimator

arXiv.org Artificial Intelligence

An explanation method called SurvBeX is proposed to interpret predictions of the machine learning survival black-box models. The main idea behind the method is to use the modified Beran estimator as the surrogate explanation model. Coefficients, incorporated into Beran estimator, can be regarded as values of the feature impacts on the black-box model prediction. Following the well-known LIME method, many points are generated in a local area around an example of interest. For every generated example, the survival function of the black-box model is computed, and the survival function of the surrogate model (the Beran estimator) is constructed as a function of the explanation coefficients. In order to find the explanation coefficients, it is proposed to minimize the mean distance between the survival functions of the black-box model and the Beran estimator produced by the generated examples. Many numerical experiments with synthetic and real survival data demonstrate the SurvBeX efficiency and compare the method with the well-known method SurvLIME. The method is also compared with the method SurvSHAP. The code implementing SurvBeX is available at: https://github.com/DanilaEremenko/SurvBeX


A New Computationally Simple Approach for Implementing Neural Networks with Output Hard Constraints

arXiv.org Artificial Intelligence

A new computationally simple method of imposing hard convex constraints on the neural network output values is proposed. The key idea behind the method is to map a vector of hidden parameters of the network to a point that is guaranteed to be inside the feasible set defined by a set of constraints. The mapping is implemented by the additional neural network layer with constraints for output. The proposed method is simply extended to the case when constraints are imposed not only on the output vectors, but also on joint constraints depending on inputs. The projection approach to imposing constraints on outputs can simply be implemented in the framework of the proposed method. It is shown how to incorporate different types of constraints into the proposed method, including linear and quadratic constraints, equality constraints, and dynamic constraints, constraints in the form of boundaries. An important feature of the method is its computational simplicity. Complexities of the forward pass of the proposed neural network layer by linear and quadratic constraints are O(n*m) and O(n^2*m), respectively, where n is the number of variables, m is the number of constraints. Numerical experiments illustrate the method by solving optimization and classification problems. The code implementing the method is publicly available.