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Machine learning algorithms for generating molecular structures offer a promising new approach to drug discovery. We cast molecular optimization as a translation problem, where the goal is to map an input compound to a target compound with…
Structured data is well handled by gradient-boosted decision trees (GBDT), which are usually trained on vertically partitioned features across mutually distrustful parties. High speed and interpretability make GBDTs popular in finance and…
Real-life machine learning problems exhibit distributional shifts in the data from one time to another or from one place to another. This behavior is beyond the scope of the traditional empirical risk minimization paradigm, which assumes…
Attribution methods calculate attributions that visually explain the predictions of deep neural networks (DNNs) by highlighting important parts of the input features. In particular, gradient-based attribution (GBA) methods are widely used…
Gradient boosting for decision tree algorithms are increasingly used in actuarial applications as they show superior predictive performance over traditional generalised linear models. Many enhancements to the first gradient boosting machine…
Interpretability has become incredibly important as machine learning is increasingly used to inform consequential decisions. We propose to construct global explanations of complex, blackbox models in the form of a decision tree…
Note that a newer expanded version of this paper is now available at: arXiv:1802.03888 It is critical in many applications to understand what features are important for a model, and why individual predictions were made. For tree ensemble…
Attribution methods shed light on the explainability of data-driven approaches such as deep learning models by uncovering the most influential features in a to-be-explained decision. While determining feature attributions via gradients…
Pricing actuaries typically operate within the framework of generalized linear models (GLMs). With the upswing of data analytics, our study puts focus on machine learning methods to develop full tariff plans built from both the frequency…
The analysis of DNA sequences has become critical in numerous fields, from evolutionary biology to understanding gene regulation and disease mechanisms. While deep neural networks can achieve remarkable predictive performance, they…
Mean texture depth (MTD) is pivotal in assessing the skid resistance of asphalt pavements and ensuring road safety. This study focuses on developing an automated system for extracting texture features and evaluating MTD based on pavement…
The purported "black box" nature of neural networks is a barrier to adoption in applications where interpretability is essential. Here we present DeepLIFT (Deep Learning Important FeaTures), a method for decomposing the output prediction of…
The Gradient Boosting Classifier (GBC) is a widely used machine learning algorithm for binary classification, which builds decision trees iteratively to minimize prediction errors. This document explains the GBC's training and prediction…
Gradient boosting has become a cornerstone of machine learning, enabling base learners such as decision trees to achieve exceptional predictive performance. While existing algorithms primarily handle scalar or Euclidean outputs,…
The study of the attribution of input features to the output of neural network models is an active area of research. While numerous Explainable AI (XAI) techniques have been proposed to interpret these models, the systematic and automated…
Training data used for developing machine learning classifiers can exhibit biases against specific protected attributes. Such biases typically originate from historical discrimination or certain underlying patterns that disproportionately…
In recent years, XAI researchers have been formalizing proposals and developing new methods to explain black box models, with no general consensus in the community on which method to use to explain these models, with this choice being…
Supervised machine learning often operates on the data-driven paradigm, wherein internal model parameters are autonomously optimized to converge predicted outputs with the ground truth, devoid of explicitly programming rules or a priori…
This paper investigates the integration of gradient boosted decision trees and varying coefficient models. We introduce the tree boosted varying coefficient framework which justifies the implementation of decision tree boosting as the…
Gradient Boosting Machines (GBM) are among the go-to algorithms on tabular data, which produce state of the art results in many prediction tasks. Despite its popularity, the GBM framework suffers from a fundamental flaw in its base…