Density-based algorithms for active and anytime clustering

Data intensive applications like biology, medicine, and neuroscience require effective and efficient data mining technologies. Advanced data acquisition methods produce a constantly increasing volume and complexity. As a consequence, the need of new data mining technologies to deal with complex data has emerged during the last decades. In this thesis, we focus on the data mining task of clustering in which objects are separated in different groups (clusters) such that objects inside a cluster are more similar than objects in different clusters. Particularly, we consider density-based clustering algorithms and their applications in biomedicine. The core idea of the density-based clustering algorithm DBSCAN is that each object within a cluster must have a certain number of other objects inside its neighborhood. Compared with other clustering algorithms, DBSCAN has many attractive benefits, e.g., it can detect clusters with arbitrary shape and is robust to outliers, etc. Thus, DBSCAN has attracted a lot of research interest during the last decades with many extensions and applications. In the first part of this thesis, we aim at developing new algorithms based on the DBSCAN paradigm to deal with the new challenges of complex data, particularly expensive distance measures and incomplete availability of the distance matrix. Like many other clustering algorithms, DBSCAN suffers from poor performance when facing expensive distance measures for complex data. To tackle this problem, we propose a new algorithm based on the DBSCAN paradigm, called Anytime Density-based Clustering (A-DBSCAN), that works in an anytime scheme: in contrast to the original batch scheme of DBSCAN, the algorithm A-DBSCAN first produces a quick approximation of the clustering result and then continuously refines the result during the further run. Experts can interrupt the algorithm, examine the results, and choose between (1) stopping the algorithm at any time whenever they are satisfied with the result to save runtime and (2) continuing the algorithm to achieve better results. Such kind of anytime scheme has been proven in the literature as a very useful technique when dealing with time consuming problems. We also introduced an extended version of A-DBSCAN called A-DBSCAN-XS which is more efficient and effective than A-DBSCAN when dealing with expensive distance measures. Since DBSCAN relies on the cardinality of the neighborhood of objects, it requires the full distance matrix to perform. For complex data, these distances are usually expensive, time consuming or even impossible to acquire due to high cost, high time complexity, noisy and missing data, etc. Motivated by these potential difficulties of acquiring the distances among objects, we propose another approach for DBSCAN, called Active Density-based Clustering (Act-DBSCAN). Given a budget limitation B, Act-DBSCAN is only allowed to use up to B pairwise distances ideally to produce the same result as if it has the entire distance matrix at hand. The general idea of Act-DBSCAN is that it actively selects the most promising pairs of objects to calculate the distances between them and tries to approximate as much as possible the desired clustering result with each distance calculation. This scheme provides an efficient way to reduce the total cost needed to perform the clustering. Thus it limits the potential weakness of DBSCAN when dealing with the distance sparseness problem of complex data. As a fundamental data clustering algorithm, density-based clustering has many applications in diverse fields. In the second part of this thesis, we focus on an application of density-based clustering in neuroscience: the segmentation of the white matter fiber tracts in human brain acquired from Diffusion Tensor Imaging (DTI). We propose a model to evaluate the similarity between two fibers as a combination of structural similarity and connectivity-related similarity of fiber tracts. Various distance measure techniques from fields like time-sequence mining are adapted to calculate the structural similarity of fibers. Density-based clustering is used as the segmentation algorithm. We show how A-DBSCAN and A-DBSCAN-XS are used as novel solutions for the segmentation of massive fiber datasets and provide unique features to assist experts during the fiber segmentation process.Datenintensive Anwendungen wie Biologie, Medizin und Neurowissenschaften erfordern effektive und effiziente Data-Mining-Technologien. Erweiterte Methoden der Datenerfassung erzeugen stetig wachsende Datenmengen und Komplexit\"at. In den letzten Jahrzehnten hat sich daher ein Bedarf an neuen Data-Mining-Technologien f\"ur komplexe Daten ergeben. In dieser Arbeit konzentrieren wir uns auf die Data-Mining-Aufgabe des Clusterings, in der Objekte in verschiedenen Gruppen (Cluster) getrennt werden, so dass Objekte in einem Cluster untereinander viel \"ahnlicher sind als Objekte in verschiedenen Clustern. Insbesondere betrachten wir dichtebasierte Clustering-Algorithmen und ihre Anwendungen in der Biomedizin. Der Kerngedanke des dichtebasierten Clustering-Algorithmus DBSCAN ist, dass jedes Objekt in einem Cluster eine bestimmte Anzahl von anderen Objekten in seiner Nachbarschaft haben muss. Im Vergleich mit anderen Clustering-Algorithmen hat DBSCAN viele attraktive Vorteile, zum Beispiel kann es Cluster mit beliebiger Form erkennen und ist robust gegen\"uber Ausrei{\ss}ern. So hat DBSCAN in den letzten Jahrzehnten gro{\ss}es Forschungsinteresse mit vielen Erweiterungen und Anwendungen auf sich gezogen. Im ersten Teil dieser Arbeit wollen wir auf die Entwicklung neuer Algorithmen eingehen, die auf dem DBSCAN Paradigma basieren, um mit den neuen Herausforderungen der komplexen Daten, insbesondere teurer Abstandsma{\ss}e und unvollst\"andiger Verf\"ugbarkeit der Distanzmatrix umzugehen. Wie viele andere Clustering-Algorithmen leidet DBSCAN an schlechter Per- formanz, wenn es teuren Abstandsma{\ss}en f\"ur komplexe Daten gegen\"uber steht. Um dieses Problem zu l\"osen, schlagen wir einen neuen Algorithmus vor, der auf dem DBSCAN Paradigma basiert, genannt Anytime Density-based Clustering (A-DBSCAN), der mit einem Anytime Schema funktioniert. Im Gegensatz zu dem urspr\"unglichen Schema DBSCAN, erzeugt der Algorithmus A-DBSCAN zuerst eine schnelle Ann\"aherung des Clusterings-Ergebnisses und verfeinert dann kontinuierlich das Ergebnis im weiteren Verlauf. Experten k\"onnen den Algorithmus unterbrechen, die Ergebnisse pr\"ufen und w\"ahlen zwischen (1) Anhalten des Algorithmus zu jeder Zeit, wann immer sie mit dem Ergebnis zufrieden sind, um Laufzeit sparen und (2) Fortsetzen des Algorithmus, um bessere Ergebnisse zu erzielen. Eine solche Art eines "Anytime Schemas" ist in der Literatur als eine sehr n\"utzliche Technik erprobt, wenn zeitaufwendige Problemen anfallen. Wir stellen auch eine erweiterte Version von A-DBSCAN als A-DBSCAN-XS vor, die effizienter und effektiver als A-DBSCAN beim Umgang mit teuren Abstandsma{\ss}en ist. Da DBSCAN auf der Kardinalit\"at der Nachbarschaftsobjekte beruht, ist es notwendig, die volle Distanzmatrix auszurechen. F\"ur komplexe Daten sind diese Distanzen in der Regel teuer, zeitaufwendig oder sogar unm\"oglich zu errechnen, aufgrund der hohen Kosten, einer hohen Zeitkomplexit\"at oder verrauschten und fehlende Daten. Motiviert durch diese m\"oglichen Schwierigkeiten der Berechnung von Entfernungen zwischen Objekten, schlagen wir einen anderen Ansatz f\"ur DBSCAN vor, namentlich Active Density-based Clustering (Act-DBSCAN). Bei einer Budgetbegrenzung B, darf Act-DBSCAN nur bis zu B ideale paarweise Distanzen verwenden, um das gleiche Ergebnis zu produzieren, wie wenn es die gesamte Distanzmatrix zur Hand h\"atte. Die allgemeine Idee von Act-DBSCAN ist, dass es aktiv die erfolgversprechendsten Paare von Objekten w\"ahlt, um die Abst\"ande zwischen ihnen zu berechnen, und versucht, sich so viel wie m\"oglich dem gew\"unschten Clustering mit jeder Abstandsberechnung zu n\"ahern. Dieses Schema bietet eine effiziente M\"oglichkeit, die Gesamtkosten der Durchf\"uhrung des Clusterings zu reduzieren. So schr\"ankt sie die potenzielle Schw\"ache des DBSCAN beim Umgang mit dem Distance Sparseness Problem von komplexen Daten ein. Als fundamentaler Clustering-Algorithmus, hat dichte-basiertes Clustering viele Anwendungen in den unterschiedlichen Bereichen. Im zweiten Teil dieser Arbeit konzentrieren wir uns auf eine Anwendung des dichte-basierten Clusterings in den Neurowissenschaften: Die Segmentierung der wei{\ss}en Substanz bei Faserbahnen im menschlichen Gehirn, die vom Diffusion Tensor Imaging (DTI) erfasst werden. Wir schlagen ein Modell vor, um die \"Ahnlichkeit zwischen zwei Fasern als einer Kombination von struktureller und konnektivit\"atsbezogener \"Ahnlichkeit von Faserbahnen zu beurteilen. Verschiedene Abstandsma{\ss}e aus Bereichen wie dem Time-Sequence Mining werden angepasst, um die strukturelle \"Ahnlichkeit von Fasern zu berechnen. Dichte-basiertes Clustering wird als Segmentierungsalgorithmus verwendet. Wir zeigen, wie A-DBSCAN und A-DBSCAN-XS als neuartige L\"osungen f\"ur die Segmentierung von sehr gro{\ss}en Faserdatens\"atzen verwendet werden, und bieten innovative Funktionen, um Experten w\"ahrend des Fasersegmentierungsprozesses zu unterst\"utzen

Density-based algorithms for active and anytime clustering

Data intensive applications like biology, medicine, and neuroscience require effective and efficient data mining technologies. Advanced data acquisition methods produce a constantly increasing volume and complexity. As a consequence, the need of new data mining technologies to deal with complex data has emerged during the last decades. In this thesis, we focus on the data mining task of clustering in which objects are separated in different groups (clusters) such that objects inside a cluster are more similar than objects in different clusters. Particularly, we consider density-based clustering algorithms and their applications in biomedicine. The core idea of the density-based clustering algorithm DBSCAN is that each object within a cluster must have a certain number of other objects inside its neighborhood. Compared with other clustering algorithms, DBSCAN has many attractive benefits, e.g., it can detect clusters with arbitrary shape and is robust to outliers, etc. Thus, DBSCAN has attracted a lot of research interest during the last decades with many extensions and applications. In the first part of this thesis, we aim at developing new algorithms based on the DBSCAN paradigm to deal with the new challenges of complex data, particularly expensive distance measures and incomplete availability of the distance matrix. Like many other clustering algorithms, DBSCAN suffers from poor performance when facing expensive distance measures for complex data. To tackle this problem, we propose a new algorithm based on the DBSCAN paradigm, called Anytime Density-based Clustering (A-DBSCAN), that works in an anytime scheme: in contrast to the original batch scheme of DBSCAN, the algorithm A-DBSCAN first produces a quick approximation of the clustering result and then continuously refines the result during the further run. Experts can interrupt the algorithm, examine the results, and choose between (1) stopping the algorithm at any time whenever they are satisfied with the result to save runtime and (2) continuing the algorithm to achieve better results. Such kind of anytime scheme has been proven in the literature as a very useful technique when dealing with time consuming problems. We also introduced an extended version of A-DBSCAN called A-DBSCAN-XS which is more efficient and effective than A-DBSCAN when dealing with expensive distance measures. Since DBSCAN relies on the cardinality of the neighborhood of objects, it requires the full distance matrix to perform. For complex data, these distances are usually expensive, time consuming or even impossible to acquire due to high cost, high time complexity, noisy and missing data, etc. Motivated by these potential difficulties of acquiring the distances among objects, we propose another approach for DBSCAN, called Active Density-based Clustering (Act-DBSCAN). Given a budget limitation B, Act-DBSCAN is only allowed to use up to B pairwise distances ideally to produce the same result as if it has the entire distance matrix at hand. The general idea of Act-DBSCAN is that it actively selects the most promising pairs of objects to calculate the distances between them and tries to approximate as much as possible the desired clustering result with each distance calculation. This scheme provides an efficient way to reduce the total cost needed to perform the clustering. Thus it limits the potential weakness of DBSCAN when dealing with the distance sparseness problem of complex data. As a fundamental data clustering algorithm, density-based clustering has many applications in diverse fields. In the second part of this thesis, we focus on an application of density-based clustering in neuroscience: the segmentation of the white matter fiber tracts in human brain acquired from Diffusion Tensor Imaging (DTI). We propose a model to evaluate the similarity between two fibers as a combination of structural similarity and connectivity-related similarity of fiber tracts. Various distance measure techniques from fields like time-sequence mining are adapted to calculate the structural similarity of fibers. Density-based clustering is used as the segmentation algorithm. We show how A-DBSCAN and A-DBSCAN-XS are used as novel solutions for the segmentation of massive fiber datasets and provide unique features to assist experts during the fiber segmentation process.Datenintensive Anwendungen wie Biologie, Medizin und Neurowissenschaften erfordern effektive und effiziente Data-Mining-Technologien. Erweiterte Methoden der Datenerfassung erzeugen stetig wachsende Datenmengen und Komplexit\"at. In den letzten Jahrzehnten hat sich daher ein Bedarf an neuen Data-Mining-Technologien f\"ur komplexe Daten ergeben. In dieser Arbeit konzentrieren wir uns auf die Data-Mining-Aufgabe des Clusterings, in der Objekte in verschiedenen Gruppen (Cluster) getrennt werden, so dass Objekte in einem Cluster untereinander viel \"ahnlicher sind als Objekte in verschiedenen Clustern. Insbesondere betrachten wir dichtebasierte Clustering-Algorithmen und ihre Anwendungen in der Biomedizin. Der Kerngedanke des dichtebasierten Clustering-Algorithmus DBSCAN ist, dass jedes Objekt in einem Cluster eine bestimmte Anzahl von anderen Objekten in seiner Nachbarschaft haben muss. Im Vergleich mit anderen Clustering-Algorithmen hat DBSCAN viele attraktive Vorteile, zum Beispiel kann es Cluster mit beliebiger Form erkennen und ist robust gegen\"uber Ausrei{\ss}ern. So hat DBSCAN in den letzten Jahrzehnten gro{\ss}es Forschungsinteresse mit vielen Erweiterungen und Anwendungen auf sich gezogen. Im ersten Teil dieser Arbeit wollen wir auf die Entwicklung neuer Algorithmen eingehen, die auf dem DBSCAN Paradigma basieren, um mit den neuen Herausforderungen der komplexen Daten, insbesondere teurer Abstandsma{\ss}e und unvollst\"andiger Verf\"ugbarkeit der Distanzmatrix umzugehen. Wie viele andere Clustering-Algorithmen leidet DBSCAN an schlechter Per- formanz, wenn es teuren Abstandsma{\ss}en f\"ur komplexe Daten gegen\"uber steht. Um dieses Problem zu l\"osen, schlagen wir einen neuen Algorithmus vor, der auf dem DBSCAN Paradigma basiert, genannt Anytime Density-based Clustering (A-DBSCAN), der mit einem Anytime Schema funktioniert. Im Gegensatz zu dem urspr\"unglichen Schema DBSCAN, erzeugt der Algorithmus A-DBSCAN zuerst eine schnelle Ann\"aherung des Clusterings-Ergebnisses und verfeinert dann kontinuierlich das Ergebnis im weiteren Verlauf. Experten k\"onnen den Algorithmus unterbrechen, die Ergebnisse pr\"ufen und w\"ahlen zwischen (1) Anhalten des Algorithmus zu jeder Zeit, wann immer sie mit dem Ergebnis zufrieden sind, um Laufzeit sparen und (2) Fortsetzen des Algorithmus, um bessere Ergebnisse zu erzielen. Eine solche Art eines "Anytime Schemas" ist in der Literatur als eine sehr n\"utzliche Technik erprobt, wenn zeitaufwendige Problemen anfallen. Wir stellen auch eine erweiterte Version von A-DBSCAN als A-DBSCAN-XS vor, die effizienter und effektiver als A-DBSCAN beim Umgang mit teuren Abstandsma{\ss}en ist. Da DBSCAN auf der Kardinalit\"at der Nachbarschaftsobjekte beruht, ist es notwendig, die volle Distanzmatrix auszurechen. F\"ur komplexe Daten sind diese Distanzen in der Regel teuer, zeitaufwendig oder sogar unm\"oglich zu errechnen, aufgrund der hohen Kosten, einer hohen Zeitkomplexit\"at oder verrauschten und fehlende Daten. Motiviert durch diese m\"oglichen Schwierigkeiten der Berechnung von Entfernungen zwischen Objekten, schlagen wir einen anderen Ansatz f\"ur DBSCAN vor, namentlich Active Density-based Clustering (Act-DBSCAN). Bei einer Budgetbegrenzung B, darf Act-DBSCAN nur bis zu B ideale paarweise Distanzen verwenden, um das gleiche Ergebnis zu produzieren, wie wenn es die gesamte Distanzmatrix zur Hand h\"atte. Die allgemeine Idee von Act-DBSCAN ist, dass es aktiv die erfolgversprechendsten Paare von Objekten w\"ahlt, um die Abst\"ande zwischen ihnen zu berechnen, und versucht, sich so viel wie m\"oglich dem gew\"unschten Clustering mit jeder Abstandsberechnung zu n\"ahern. Dieses Schema bietet eine effiziente M\"oglichkeit, die Gesamtkosten der Durchf\"uhrung des Clusterings zu reduzieren. So schr\"ankt sie die potenzielle Schw\"ache des DBSCAN beim Umgang mit dem Distance Sparseness Problem von komplexen Daten ein. Als fundamentaler Clustering-Algorithmus, hat dichte-basiertes Clustering viele Anwendungen in den unterschiedlichen Bereichen. Im zweiten Teil dieser Arbeit konzentrieren wir uns auf eine Anwendung des dichte-basierten Clusterings in den Neurowissenschaften: Die Segmentierung der wei{\ss}en Substanz bei Faserbahnen im menschlichen Gehirn, die vom Diffusion Tensor Imaging (DTI) erfasst werden. Wir schlagen ein Modell vor, um die \"Ahnlichkeit zwischen zwei Fasern als einer Kombination von struktureller und konnektivit\"atsbezogener \"Ahnlichkeit von Faserbahnen zu beurteilen. Verschiedene Abstandsma{\ss}e aus Bereichen wie dem Time-Sequence Mining werden angepasst, um die strukturelle \"Ahnlichkeit von Fasern zu berechnen. Dichte-basiertes Clustering wird als Segmentierungsalgorithmus verwendet. Wir zeigen, wie A-DBSCAN und A-DBSCAN-XS als neuartige L\"osungen f\"ur die Segmentierung von sehr gro{\ss}en Faserdatens\"atzen verwendet werden, und bieten innovative Funktionen, um Experten w\"ahrend des Fasersegmentierungsprozesses zu unterst\"utzen

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