The ABACOC Algorithm: a Novel Approach for Nonparametric Classification of Data Streams

Stream mining poses unique challenges to machine learning: predictive models are required to be scalable, incrementally trainable, must remain bounded in size (even when the data stream is arbitrarily long), and be nonparametric in order to achieve high accuracy even in complex and dynamic environments. Moreover, the learning system must be parameterless ---traditional tuning methods are problematic in streaming settings--- and avoid requiring prior knowledge of the number of distinct class labels occurring in the stream. In this paper, we introduce a new algorithmic approach for nonparametric learning in data streams. Our approach addresses all above mentioned challenges by learning a model that covers the input space using simple local classifiers. The distribution of these classifiers dynamically adapts to the local (unknown) complexity of the classification problem, thus achieving a good balance between model complexity and predictive accuracy. We design four variants of our approach of increasing adaptivity. By means of an extensive empirical evaluation against standard nonparametric baselines, we show state-of-the-art results in terms of accuracy versus model size. For the variant that imposes a strict bound on the model size, we show better performance against all other methods measured at the same model size value. Our empirical analysis is complemented by a theoretical performance guarantee which does not rely on any stochastic assumption on the source generating the stream

Inductive queries for a drug designing robot scientist

It is increasingly clear that machine learning algorithms need to be integrated in an iterative scientific discovery loop, in which data is queried repeatedly by means of inductive queries and where the computer provides guidance to the experiments that are being performed. In this chapter, we summarise several key challenges in achieving this integration of machine learning and data mining algorithms in methods for the discovery of Quantitative Structure Activity Relationships (QSARs). We introduce the concept of a robot scientist, in which all steps of the discovery process are automated; we discuss the representation of molecular data such that knowledge discovery tools can analyse it, and we discuss the adaptation of machine learning and data mining algorithms to guide QSAR experiments