Effective data visualization is a key part of the discovery process in the era of “big data”. It is the bridge between the quantitative content of the data and human intuition, and thus an essential component of the scientific path from data into knowledge and understanding. Visualization is also essential in the data mining process, directing the choice of the applicable algorithms, and in helping to identify and remove bad data from the analysis. However, a high complexity or a high dimensionality of modern data sets represents a critical obstacle. How do we visualize interesting structures and patterns that may exist in hyper-dimensional data spaces? A better understanding of how we can perceive and interact with multidimensional information poses some deep questions in the field of cognition technology and human-computer interaction. To this effect, we are exploring the use of immersive virtual reality platforms for scientific data visualization, both as software and inexpensive commodity hardware. These potentially powerful and innovative tools for multi-dimensional data visualization can also provide an easy and natural path to a collaborative data visualization and exploration, where scientists can interact with their data and their colleagues in the same visual space. Immersion provides benefits beyond the traditional “desktop” visualization tools: it leads to a demonstrably better perception of a datascape geometry, more intuitive data understanding, and a better retention of the perceived relationships in the data.

The nature of scientific and technological data collection is evolving rapidly: data volumes and rates grow exponentially, with increasing complexity and information content, and there has been a transition from static data sets to data streams that must be analyzed in real time. Interesting or anomalous phenomena must be quickly characterized and followed up with additional measurements via optimal deployment of limited assets. Modern astronomy presents a variety of such phenomena in the form of transient events in digital synoptic sky surveys, including cosmic explosions (supernovae, gamma ray bursts), relativistic phenomena (black hole formation, jets), potentially hazardous asteroids, etc. We have been developing a set of machine learning tools to detect, classify and plan a response to transient events for astronomy applications, using the Catalina Real-time Transient Survey (CRTS) as a scientific and methodological testbed. The ability to respond rapidly to the potentially most interesting events is a key bottleneck that limits the scientific returns from the current and anticipated synoptic sky surveys. Similar challenge arise in other contexts, from environmental monitoring using sensor networks to autonomous spacecraft systems. Given the exponential growth of data rates, and the time-critical response, we need a fully automated and robust approach. We describe the results obtained to date, and the possible future developments.

The amount of collected data in many scientific fields is increasing, all of them requiring a common task: extract knowledge from massive, multi parametric data sets, as rapidly and efficiently possible. This is especially true in astronomy where synoptic sky surveys are enabling new research frontiers in the time domain astronomy and posing several new object classification challenges in multi dimensional spaces; given the high number of parameters available for each object, feature selection is quickly becoming a crucial task in analyzing astronomical data sets. Using data sets extracted from the ongoing Catalina Real-Time Transient Surveys (CRTS) and the Kepler Mission we illustrate a variety of feature selection strategies used to identify the subsets that give the most information and the results achieved applying these techniques to three major astronomical problems.

An automated, rapid classification of transient events detected in the modern synoptic sky surveys is essential for their scientific utility and effective follow-up using scarce resources. This presents some unusual challenges: the data are sparse, heterogeneous and incomplete; evolving in time; and most of the relevant information comes not from the data stream itself, but from a variety of archival data and contextual information (spatial, temporal, and multi-wavelength). We are exploring a variety of novel techniques, mostly Bayesian, to respond to these challenges, using the ongoing CRTS sky survey as a testbed. The current surveys are already overwhelming our ability to effectively follow all of the potentially interesting events, and these challenges will grow by orders of magnitude over the next decade as the more ambitious sky surveys get under way. While we focus on an application in a specific domain (astrophysics), these challenges are more broadly relevant for event or anomaly detection and knowledge discovery in massive data streams.

MOTIVATION: The huge growth in gene expression data calls for the implementation of automatic tools for data processing and interpretation. RESULTS: We present a new and comprehensive machine learning data mining framework consisting in a non-linear PCA neural network for feature extraction, and probabilistic principal surfaces combined with an agglomerative approach based on Negentropy aimed at clustering gene microarray data. The method, which provides a user-friendly visualization interface, can work on noisy data with missing points and represents an automatic procedure to get, with no a priori assumptions, the number of clusters present in the data. Cell-cycle dataset and a detailed analysis confirm the biological nature of the most significant clusters. AVAILABILITY: The software described here is a subpackage part of the ASTRONEURAL package and is available upon request from the corresponding author. SUPPLEMENTARY INFORMATION: Supplementary data are available at Bioinformatics online.

Bioinformatics systems benefit from the use of data mining strategies to locate interesting and pertinent relationships within massive information. For example, data mining methods can ascertain and summarize the set of genes responding to a certain level of stress in an organism. Even a cursory glance through the literature in journals, reveals the persistent role of data mining in experimental biology. Integrating data mining within the context of experimental investigations is central to bioinformatics software. In this paper we describe the framework of probabilistic principal surfaces, a latent variable model which offers a large variety of appealing visualization capabilities and which can be successfully integrated in the context of microarray analysis. A preprocessing phase consisting of a nonlinear PCA neural network which seems to be very useful to deal with noisy and time dependent nature of microarray data has been added to this framework.

The recent technological advances are producing huge data sets in almost all fields of scientific research, from astronomy to genetics. Although each research field often requires ad-hoc, fine tuned, procedures to properly exploit all the available information inherently present in the data, there is an urgent need for a new generation of general computational theories and tools capable to boost most human activities of data analysis. Here, we propose probabilistic principal surfaces (PPS) as an effective high-D data visualization and clustering tool for data mining applications, emphasizing its flexibility and generality of use in data-rich field. In order to better illustrate the potentialities of the method, we also provide a real world case-study by discussing the use of PPS for the analysis of yeast gene expression levels from microarray chips.