kLog: A Language for Logical and Relational Learning with Kernels

We introduce kLog, a novel approach to statistical relational learning. Unlike standard approaches, kLog does not represent a probability distribution directly. It is rather a language to perform kernel-based learning on expressive logical and relational representations. kLog allows users to specify learning problems declaratively. It builds on simple but powerful concepts: learning from interpretations, entity/relationship data modeling, logic programming, and deductive databases. Access by the kernel to the rich representation is mediated by a technique we call graphicalization: the relational representation is first transformed into a graph --- in particular, a grounded entity/relationship diagram. Subsequently, a choice of graph kernel defines the feature space. kLog supports mixed numerical and symbolic data, as well as background knowledge in the form of Prolog or Datalog programs as in inductive logic programming systems. The kLog framework can be applied to tackle the same range of tasks that has made statistical relational learning so popular, including classification, regression, multitask learning, and collective classification. We also report about empirical comparisons, showing that kLog can be either more accurate, or much faster at the same level of accuracy, than Tilde and Alchemy. kLog is GPLv3 licensed and is available at http://klog.dinfo.unifi.it along with tutorials

Learning and Interpreting Multi-Multi-Instance Learning Networks

We introduce an extension of the multi-instance learning problem where examples are organized as nested bags of instances (e.g., a document could be represented as a bag of sentences, which in turn are bags of words). This framework can be useful in various scenarios, such as text and image classification, but also supervised learning over graphs. As a further advantage, multi-multi instance learning enables a particular way of interpreting predictions and the decision function. Our approach is based on a special neural network layer, called bag-layer, whose units aggregate bags of inputs of arbitrary size. We prove theoretically that the associated class of functions contains all Boolean functions over sets of sets of instances and we provide empirical evidence that functions of this kind can be actually learned on semi-synthetic datasets. We finally present experiments on text classification, on citation graphs, and social graph data, which show that our model obtains competitive results with respect to accuracy when compared to other approaches such as convolutional networks on graphs, while at the same time it supports a general approach to interpret the learnt model, as well as explain individual predictions.Comment: JML

Combining multiple resolutions into hierarchical representations for kernel-based image classification

Geographic object-based image analysis (GEOBIA) framework has gained increasing interest recently. Following this popular paradigm, we propose a novel multiscale classification approach operating on a hierarchical image representation built from two images at different resolutions. They capture the same scene with different sensors and are naturally fused together through the hierarchical representation, where coarser levels are built from a Low Spatial Resolution (LSR) or Medium Spatial Resolution (MSR) image while finer levels are generated from a High Spatial Resolution (HSR) or Very High Spatial Resolution (VHSR) image. Such a representation allows one to benefit from the context information thanks to the coarser levels, and subregions spatial arrangement information thanks to the finer levels. Two dedicated structured kernels are then used to perform machine learning directly on the constructed hierarchical representation. This strategy overcomes the limits of conventional GEOBIA classification procedures that can handle only one or very few pre-selected scales. Experiments run on an urban classification task show that the proposed approach can highly improve the classification accuracy w.r.t. conventional approaches working on a single scale.Comment: International Conference on Geographic Object-Based Image Analysis (GEOBIA 2016), University of Twente in Enschede, The Netherland

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