31,058 research outputs found

    Designing algorithms to aid discovery by chemical robots

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    Recently, automated robotic systems have become very efficient, thanks to improved coupling between sensor systems and algorithms, of which the latter have been gaining significance thanks to the increase in computing power over the past few decades. However, intelligent automated chemistry platforms for discovery orientated tasks need to be able to cope with the unknown, which is a profoundly hard problem. In this Outlook, we describe how recent advances in the design and application of algorithms, coupled with the increased amount of chemical data available, and automation and control systems may allow more productive chemical research and the development of chemical robots able to target discovery. This is shown through examples of workflow and data processing with automation and control, and through the use of both well-used and cutting-edge algorithms illustrated using recent studies in chemistry. Finally, several algorithms are presented in relation to chemical robots and chemical intelligence for knowledge discovery

    Exploring movement – similarity analysis of moving objects

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    Extracting knowledge about the movement of different types of mobile agents (e.g. human, animals, vehicles) and dynamic phenomena (e.g. hurricanes) requires new exploratory data analysis methods for massive movement datasets. Different types of moving objects share similarities but also express differences in terms of their dynamic behavior and the nature of their movement. Extracting such similarities can significantly contribute to the prediction, modeling and simulation dynamic phenomena. Therefore, with the development of a quantitative methodology this research intends to investigate and explore similarities in the dynamics of moving objects by using methods of GIScience in knowledge discovery. This paper presents a summary of the ongoing Ph.D. research project

    Beyond Sentiment: The Manifold of Human Emotions

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    Sentiment analysis predicts the presence of positive or negative emotions in a text document. In this paper we consider higher dimensional extensions of the sentiment concept, which represent a richer set of human emotions. Our approach goes beyond previous work in that our model contains a continuous manifold rather than a finite set of human emotions. We investigate the resulting model, compare it to psychological observations, and explore its predictive capabilities. Besides obtaining significant improvements over a baseline without manifold, we are also able to visualize different notions of positive sentiment in different domains.Comment: 15 pages, 7 figure

    A visual embedding for the unsupervised extraction of abstract semantics

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    Vector-space word representations obtained from neural network models have been shown to enable semantic operations based on vector arithmetic. In this paper, we explore the existence of similar information on vector representations of images. For that purpose we define a methodology to obtain large, sparse vector representations of image classes, and generate vectors through the state-of-the-art deep learning architecture GoogLeNet for 20 K images obtained from ImageNet. We first evaluate the resultant vector-space semantics through its correlation with WordNet distances, and find vector distances to be strongly correlated with linguistic semantics. We then explore the location of images within the vector space, finding elements close in WordNet to be clustered together, regardless of significant visual variances (e.g., 118 dog types). More surprisingly, we find that the space unsupervisedly separates complex classes without prior knowledge (e.g., living things). Afterwards, we consider vector arithmetics. Although we are unable to obtain meaningful results on this regard, we discuss the various problem we encountered, and how we consider to solve them. Finally, we discuss the impact of our research for cognitive systems, focusing on the role of the architecture being used.This work is partially supported by the Joint Study Agreement no. W156463 under the IBM/BSC Deep Learning Center agreement, by the Spanish Government through Programa Severo Ochoa (SEV-2015-0493), by the Spanish Ministry of Science and Technology through TIN2015-65316-P project and by the Generalitat de Catalunya (contracts 2014-SGR-1051), and by the Core Research for Evolutional Science and Technology (CREST) program of Japan Science and Technology Agency (JST).Peer ReviewedPostprint (published version

    Computational physics of the mind

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    In the XIX century and earlier such physicists as Newton, Mayer, Hooke, Helmholtz and Mach were actively engaged in the research on psychophysics, trying to relate psychological sensations to intensities of physical stimuli. Computational physics allows to simulate complex neural processes giving a chance to answer not only the original psychophysical questions but also to create models of mind. In this paper several approaches relevant to modeling of mind are outlined. Since direct modeling of the brain functions is rather limited due to the complexity of such models a number of approximations is introduced. The path from the brain, or computational neurosciences, to the mind, or cognitive sciences, is sketched, with emphasis on higher cognitive functions such as memory and consciousness. No fundamental problems in understanding of the mind seem to arise. From computational point of view realistic models require massively parallel architectures

    Representative factor generation for the interactive visual analysis of high-dimensional data

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    Datasets with a large number of dimensions per data item (hundreds or more) are challenging both for computational and visual analysis. Moreover, these dimensions have different characteristics and relations that result in sub-groups and/or hierarchies over the set of dimensions. Such structures lead to heterogeneity within the dimensions. Although the consideration of these structures is crucial for the analysis, most of the available analysis methods discard the heterogeneous relations among the dimensions. In this paper, we introduce the construction and utilization of representative factors for the interactive visual analysis of structures in high-dimensional datasets. First, we present a selection of methods to investigate the sub-groups in the dimension set and associate representative factors with those groups of dimensions. Second, we introduce how these factors are included in the interactive visual analysis cycle together with the original dimensions. We then provide the steps of an analytical procedure that iteratively analyzes the datasets through the use of representative factors. We discuss how our methods improve the reliability and interpretability of the analysis process by enabling more informed selections of computational tools. Finally, we demonstrate our techniques on the analysis of brain imaging study results that are performed over a large group of subjects
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