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Introduction to Information Retrieval TDT4215 Webintelligence Based on slides by: Hinrich Schütze and Christina Lioma Hinrich Schütze and Christina Lioma Chapter 16: Flat Clustering 1 Introduction to Information Retrieval Overview Cl t i It d ti Clustering: Introduction Clustering in IR Clustering in IR Kmeans K means Evaluation How many clusters? 2

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Page 1: Introduction to Information Retrieval - NTNU Flat... · Introduction to Information Retrieval Data set with clear cluster structure Propose algorithm for finding the cluster structure

Introduction to Information RetrievalIntroduction to Information Retrieval

Introduction to

Information Retrieval

TDT4215 Web‐intelligenceg

Based on slides by:

Hinrich Schütze and Christina LiomaHinrich Schütze and Christina Lioma

Chapter 16: Flat Clustering

1

Introduction to Information RetrievalIntroduction to Information Retrieval

Overview

❶ Cl t i I t d ti❶ Clustering: Introduction

❸ Clustering in IR❸ Clustering in IR

❹ K‐means❹ K means

❺ Evaluation❺

❻ How many clusters?

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Introduction to Information RetrievalIntroduction to Information Retrieval

Outline

❶ Cl t i I t d ti❶ Clustering: Introduction

❸ Clustering in IR❸ Clustering in IR

❹ K‐means❹ K means

❺ Evaluation❺

❻ How many clusters?

3

Introduction to Information RetrievalIntroduction to Information Retrieval

Clustering: Definition

(Document) clustering is the process of grouping a set of documents into clusters of similar documents.

Documents within a cluster should be similar.

Documents from different clusters should be dissimilar.

Clustering is the most common form of unsupervisedlearning.

Unsupervised = there are no labeled or annotated data.

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Data set with clear cluster structure

Propose algorithm for finding the gcluster structure in this example

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Introduction to Information RetrievalIntroduction to Information Retrieval

Classification vs. Clustering

Classification: supervised learning

Clustering: unsupervised learningClustering: unsupervised learning

Classification: Classes are human‐defined and part of the input to the learning algorithm.p g g

Clustering: Clusters are inferred from the data without human input.p

However, there are many ways of influencing the outcome of clustering: number of clusters, similarity measure, representation of documents, . . .

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Introduction to Information RetrievalIntroduction to Information Retrieval

Outline

❶ Cl t i I t d ti❶ Clustering: Introduction

❸ Clustering in IR❸ Clustering in IR

❹ K‐means❹ K means

❺ Evaluation❺

❻ How many clusters?

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Introduction to Information RetrievalIntroduction to Information Retrieval

The cluster hypothesis

Cluster hypothesis. Documents in the same cluster behavesimilarly with respect to relevance to information needs. Ally papplications of clustering in IR are based (directly or indirectly) onthe cluster hypothesis. Van Rijsbergen’s original wording: “closely associated documents tend to be relevant to the same requests”.

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Applications of clustering in IR

Application What isclustered?

Benefit

Search result clustering search more effectiveSearch result clustering searchresults

more effectiveinformationpresentation to user

Scatter‐Gather (subsetsof) collection

alternative userinterface: “searchwithout typing”

Collection clustering collection effective informationt ti fpresentation for

exploratory browsing

Cluster based retrieval collection higher efficiency:

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Cluster‐based retrieval collection higher efficiency:faster search

Introduction to Information RetrievalIntroduction to Information Retrieval

Search result clustering for better navigation (1)

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Search result clustering for better navigation (2)

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Introduction to Information RetrievalIntroduction to Information Retrieval

Scatter‐Gather

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Global navigation: Yahoo

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Introduction to Information RetrievalIntroduction to Information Retrieval

Global navigation: MESH (upper level)

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Navigational hierarchies: Manual vs. automatic creation

Note: Yahoo/MESH are not examples of clustering. But they are well known examples for using a global y p g ghierarchy for navigation.

Some examples for global navigation/exploration based on clustering: Cartia ThemescapesThemescapes Google News

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Global navigation combined with visualization (1)

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Global navigation combined with visualization (2)

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Introduction to Information RetrievalIntroduction to Information Retrieval

Clustering for improving recall

To improve search recall:

Cluster docs in collection a prioriCluster docs in collection a priori

When a query matches a doc d, also return other docs in the cluster containing d

Hope: if we do this: the query “car” will also return docs containing “automobile”

Because the clustering algorithm groups together docs containing “car” with those containing “automobile”.

Both types of documents contain words like “parts”, “dealer”, “mercedes”, “road trip”.

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Data set with clear cluster structure

Propose algorithm for finding the gcluster structure in this example

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Introduction to Information RetrievalIntroduction to Information Retrieval

Desiderata for clustering

General goal: put related docs in the same cluster, put unrelated docs in different clusters.

How do we formalize this?

The number of clusters should be appropriate for the data set l iwe are clustering.

Initially, we will assume the number of clusters K is given.

i i h d f d i i Later: Semiautomatic methods for determining K

Secondary goals in clustering

Avoid very small and very large clusters

Define clusters that are easy to explain to the user

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Many others . . .

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Flat vs. Hierarchical clustering

Flat algorithms

Usually start with a random (partial) partitioning of docs into groups

Refine iteratively

l h Main algorithm: K‐means

Hierarchical algorithms

Create a hierarchy

Bottom‐up, agglomerative

Top‐down, divisive

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Hard vs. Soft clustering

Hard clustering: Each document belongs to exactly one Hard clustering: Each document belongs to exactly one cluster. More common and easier to do

Soft clustering: A document can belong to more than one cluster.

k f l l k b bl Makes more sense for applications like creating browsablehierarchies You may want to put sneakers in two clusters:ou ay a t to put s ea e s t o c uste s

sports apparel shoes

You can only do that with a soft clustering approach You can only do that with a soft clustering approach. We will do flat, hard clustering only in this class. See IIR 16.5, IIR 17, IIR 18 for soft clustering and hierarchical

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gclustering

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Flat algorithms

Flat algorithms compute a partition of N documents into a set of K clusters.

Given: a set of documents and the number K

Find: a partition into K clusters that optimizes the chosen p ppartitioning criterion

Global optimization: exhaustively enumerate partitions, p y ppick optimal one

Not tractable

Effective heuristic method: K‐means algorithm

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Introduction to Information RetrievalIntroduction to Information Retrieval

Outline

❶ Cl t i I t d ti❶ Clustering: Introduction

❸ Clustering in IR❸ Clustering in IR

❹ K‐means❹ K means

❺ Evaluation❺

❻ How many clusters?

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K‐means

Perhaps the best known clustering algorithm

Simple, works well in many cases

Use as default / baseline for clustering documents

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Introduction to Information RetrievalIntroduction to Information Retrieval

Document representations in clustering

Vector space model

As in vector space classification, we measure relatedness between vectors by Euclidean distance . . .

. . .which is almost equivalent to cosine similarity.

Almost: centroids are not length‐normalized.

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K‐means

h l i i d fi d b id Each cluster in K‐means is defined by a centroid. Objective/partitioning criterion: minimize the average squared difference from the centroidsquared difference from the centroid

Recall definition of centroid:

h d lwhere we use ω to denote a cluster. We try to find the minimum average squared difference by iterating two steps:iterating two steps: reassignment: assign each vector to its closest centroid recomputation: recompute each centroid as the average of

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the vectors that were assigned to it in reassignment

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Introduction to Information RetrievalIntroduction to Information Retrieval

K‐means algorithm

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Worked Example: Set of to be clustered

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Introduction to Information RetrievalIntroduction to Information Retrieval

Worked Example: Random selection of initial centroids

Exercise: (i) Guess what theExercise: (i) Guess what the

optimal clustering into two clusters is in this case; (ii) compute the

centroids of the clusters

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centroids of the clusters

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Worked Example: Assign points to closest center

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Introduction to Information RetrievalIntroduction to Information Retrieval

Worked Example: Assignment

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Worked Example: Recompute cluster centroids

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Introduction to Information RetrievalIntroduction to Information Retrieval

Worked Example: Assign points to closest centroid

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Worked Example: Assignment

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Introduction to Information RetrievalIntroduction to Information Retrieval

Worked Example: Recompute cluster centroids

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Worked Example: Assign points to closest centroid

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Introduction to Information RetrievalIntroduction to Information Retrieval

Worked Example: Assignment

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Worked Example: Recompute cluster centroids

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Introduction to Information RetrievalIntroduction to Information Retrieval

Worked Example: Assign points to closest centroid

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Worked Example: Assignment

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Introduction to Information RetrievalIntroduction to Information Retrieval

Worked Example: Recompute cluster centroids

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Worked Example: Assign points to closest centroid

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Introduction to Information RetrievalIntroduction to Information Retrieval

Worked Example: Assignment

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Worked Example: Recompute cluster centroids

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Introduction to Information RetrievalIntroduction to Information Retrieval

Worked Example: Assign points to closest centroid

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Worked Example: Assignment

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Introduction to Information RetrievalIntroduction to Information Retrieval

Worked Example: Recompute cluster centroids

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Worked Example: Assign points to closest centroid

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Introduction to Information RetrievalIntroduction to Information Retrieval

Worked Example: Assignment

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Worked Example: Recompute cluster caentroids

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Introduction to Information RetrievalIntroduction to Information Retrieval

Worked Ex.: Centroids and assignments after convergence

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K‐means is guaranteed to converge: Proof

RSS = sum of all squared distances between document vector and closest centroid

RSS decreases during each reassignment step.

because each vector is moved to a closer centroid

RSS decreases during each recomputation step.

see next slide

There is only a finite number of clusterings.

Thus: We must reach a fixed point.

Assumption: Ties are broken consistently.

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Recomputation decreases average distance

the residual sum of squares (the “goodness”– the residual sum of squares (the goodnessmeasure)

The last line is the componentwise definition of the centroid! Wepminimize RSSk when the old centroid is replaced with the newcentroid. RSS, the sum of the RSSk , must then also decrease

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during recomputation.

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K‐means is guaranteed to converge

But we don’t know how long convergence will take!

If we don’t care about a few docs switching back and forth, th i ll f t ( 10 20 it ti )then convergence is usually fast (< 10‐20 iterations).

However, complete convergence can take many more iterationsiterations.

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Introduction to Information RetrievalIntroduction to Information Retrieval

Optimality of K‐means

Convergence does not mean that we converge to the optimal clustering!

Thi i th t k f K This is the great weakness of K‐means.

If we start with a bad set of seeds, the resulting clustering can be horriblecan be horrible.

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Convergence Exercise: Suboptimal clustering

Wh t i th ti l l t i f K 2? What is the optimal clustering for K = 2?

Do we converge on this clustering for arbitrary seeds di , dj?

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Introduction to Information RetrievalIntroduction to Information Retrieval

Initialization of K‐means

Random seed selection is j st one of man a s K means Random seed selection is just one of many ways K‐means can be initialized.

Random seed selection is not very robust: It’s easy to get a Random seed selection is not very robust: It s easy to get a suboptimal clustering.

Better ways of computing initial centroids: Better ways of computing initial centroids:

Select seeds not randomly, but using some heuristic (e.g., filter out outliers or find a set of seeds that has “good coverage” of g gthe document space)

Use hierarchical clustering to find good seeds

Select i (e.g., i = 10) different random sets of seeds, do a K‐means clustering for each, select the clustering with lowest RSS

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Time complexity of K‐means

Computing one distance of two vectors is O(M).

Reassignment step: O(KNM) (we need to compute KNdocument‐centroid distances)

Recomputation step: O(NM) (we need to add each of the document’s < M values to one of the centroids)

Assume number of iterations bounded by I

Overall complexity: O(IKNM) – linear in all important dimensions

However: This is not a real worst‐case analysis.

In pathological cases, complexity can be worse than linear.

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Introduction to Information RetrievalIntroduction to Information Retrieval

Outline

❶ Cl t i I t d ti❶ Clustering: Introduction

❸ Clustering in IR❸ Clustering in IR

❹ K‐means❹ K means

❺ Evaluation❺

❻ How many clusters?

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What is a good clustering?

Internal criteria

Example of an internal criterion: RSS in K‐meansExample of an internal criterion: RSS in K means

But an internal criterion often does not evaluate the actual utility of a clustering in the application.y g pp

Alternative: External criteria

Evaluate with respect to a human‐defined classificationp

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External criteria for clustering quality

Based on a gold standard data set, e.g., the Reuters collection we also used for the evaluation of classification

Goal: Clustering should reproduce the classes in the gold standard

(But we only want to reproduce how documents are divided into groups, not the class labels.)

First measure for how well we were able to reproduce the classes: purity

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External criterion: Purity

Ω= ω1, ω2, . . . , ωK is the set of clusters andΩ ω1, ω2, . . . , ωK is the set of clusters and C = c1, c2, . . . , cJ is the set of classes.

For each cluster ωk : find class cj with most members nkj in ωkk j kj k

Sum all nkj and divide by total number of points

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Example for computing purity

To compute purity: 5 = maxj |ω1 ∩ cj | (class x, cluster 1);4 | | ( l l 2) d 3 | |4 = maxj |ω2 ∩ cj | (class o, cluster 2); and 3 = maxj |ω3 ∩ cj | (class ⋄, cluster 3). Purity is (1/17) × (5 + 4 + 3) ≈ 0.71.

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Rand index

Definition:

Based on 2x2 contingency table of all pairs of documents: Based on 2x2 contingency table of all pairs of documents:

TP+FN+FP+TN is the total number of pairs. There are pairs for N documents. Example: = 136 in o/⋄/x example Each pair is either positive or negative (the clustering puts Each pair is either positive or negative (the clustering puts the two documents in the same or in different clusters) . . .

. . . and either “true” (correct) or “false” (incorrect): the

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( ) ( )clustering decision is correct or incorrect.

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Introduction to Information RetrievalIntroduction to Information Retrieval

Rand Index: ExampleAs an example we compute RI for the o/⋄/x example We firstAs an example, we compute RI for the o/⋄/x example. We firstcompute TP + FP. The three clusters contain 6, 6, and 5 points,respectively, so the total number of “positives” or pairs ofdocuments that are in the same cluster is:

Of these the x pairs in cluster 1 the o pairs in cluster 2 the ⋄Of these, the x pairs in cluster 1, the o pairs in cluster 2, the ⋄pairs in cluster 3, and the x pair in cluster 3 are true positives:

Th FP 40 20 20 FN d TN t d i il l

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Thus, FP = 40 − 20 = 20. FN and TN are computed similarly.

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Rand measure for the o/ /x example

(20 + 72)/(20 + 20 + 24 + 72) ≈ 0.68.

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Two other external evaluation measures

Two other measures

Normalized mutual information (NMI)

How much information does the clustering contain about the gclassification?

Singleton clusters (number of clusters = number of docs) have maximumMI

Therefore: normalize by entropy of clusters and classes

F measure

Like Rand, but “precision” and “recall” can be weighted

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Evaluation results for the o/ /x example

All four measures range from 0 (really bad clustering) to 1 (perfectclustering).

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Introduction to Information RetrievalIntroduction to Information Retrieval

Outline

❶ Cl t i I t d ti❶ Clustering: Introduction

❸ Clustering in IR❸ Clustering in IR

❹ K‐means❹ K means

❺ Evaluation❺

❻ How many clusters?

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How many clusters?

Number of clusters K is given in many applications.

E.g., there may be an external constraint on K. Example: In the case of Scatter‐Gather, it was hard to show more than 10–20 clusters on a monitor in the 90s.

Wh if h i l i ? I h “ i h ” What if there is no external constraint? Is there a “right” number of clusters?

O t d fi ti i ti it i One way to go: define an optimization criterion

Given docs, find K for which the optimum is reached.

Wh t ti i ti it i ? What optimiation criterion can we use?

We can’t use RSS or average squared distance from centroid as criterion: always chooses K = N clusters

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criterion: always chooses K = N clusters.

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Introduction to Information RetrievalIntroduction to Information Retrieval

Simple objective function for K

Basic idea: Basic idea:

Start with 1 cluster (K = 1)

Keep adding clusters (= keep increasing K) Keep adding clusters (= keep increasing K)

Add a penalty for each new cluster (= cost λ)

Trade off cluster penalties against average squared distance Trade off cluster penalties against average squared distance from centroid

Choose the value of K with the best tradeoff Choose the value of K with the best tradeoff

Still need to determine good value for λ . . .

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Finding the “knee” in the curve

Pick the number of

clusters where curve

“flattens”. Here: 4 or 9.

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Take‐away today

What is clustering? What is clustering?

Applications of clustering in information retrieval

K l ith K‐means algorithm

Evaluation of clustering

l ? How many clusters?

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Resources

Chapter 16 of IIRChapter 16 of IIR

Resources at http://ifnlp.org/ir

K‐means exampleK means example

Keith van Rijsbergen on the cluster hypothesis (he was one of

the originators)the originators)

Bing/Carrot2/Clusty: search result clustering

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