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

Acquiring Word-Meaning Mappings for Natural Language Interfaces

This paper focuses on a system, WOLFIE (WOrd Learning From Interpreted Examples), that acquires a semantic lexicon from a corpus of sentences paired with semantic representations. The lexicon learned consists of phrases paired with meaning representations. WOLFIE is part of an integrated system that learns to transform sentences into representations such as logical database queries. Experimental results are presented demonstrating WOLFIE's ability to learn useful lexicons for a database interface in four different natural languages. The usefulness of the lexicons learned by WOLFIE are compared to those acquired by a similar system, with results favorable to WOLFIE. A second set of experiments demonstrates WOLFIE's ability to scale to larger and more difficult, albeit artificially generated, corpora. In natural language acquisition, it is difficult to gather the annotated data needed for supervised learning; however, unannotated data is fairly plentiful. Active learning methods attempt to select for annotation and training only the most informative examples, and therefore are potentially very useful in natural language applications. However, most results to date for active learning have only considered standard classification tasks. To reduce annotation effort while maintaining accuracy, we apply active learning to semantic lexicons. We show that active learning can significantly reduce the number of annotated examples required to achieve a given level of performance

On the Potential of Generic Modeling for VANET Data Aggregation Protocols

In-network data aggregation is a promising communication mechanism to reduce bandwidth requirements of applications in vehicular ad-hoc networks (VANETs). Many aggregation schemes have been proposed, often with varying features. Most aggregation schemes are tailored to specific application scenarios and for specific aggregation operations. Comparative evaluation of different aggregation schemes is therefore difficult. An application centric view of aggregation does also not tap into the potential of cross application aggregation. Generic modeling may help to unlock this potential. We outline a generic modeling approach to enable improved comparability of aggregation schemes and facilitate joint optimization for different applications of aggregation schemes for VANETs. This work outlines the requirements and general concept of a generic modeling approach and identifies open challenges

Emergent behaviors in the Internet of things: The ultimate ultra-large-scale system

To reach its potential, the Internet of Things (IoT) must break down the silos that limit applications' interoperability and hinder their manageability. Doing so leads to the building of ultra-large-scale systems (ULSS) in several areas, including autonomous vehicles, smart cities, and smart grids. The scope of ULSS is both large and complex. Thus, the authors propose Hierarchical Emergent Behaviors (HEB), a paradigm that builds on the concepts of emergent behavior and hierarchical organization. Rather than explicitly programming all possible decisions in the vast space of ULSS scenarios, HEB relies on the emergent behaviors induced by local rules at each level of the hierarchy. The authors discuss the modifications to classical IoT architectures required by HEB, as well as the new challenges. They also illustrate the HEB concepts in reference to autonomous vehicles. This use case paves the way to the discussion of new lines of research.Damian Roca work was supported by a Doctoral Scholarship provided by Fundación La Caixa. This work has been supported by the Spanish Government (Severo Ochoa grants SEV2015-0493) and by the Spanish Ministry of Science and Innovation (contracts TIN2015-65316-P).Peer ReviewedPostprint (author's final draft