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A DIAMOND method of inducing classification rules for biological data

Han-Lin Li



, Yao-Huei Huang

Institute of Information Management, National Chiao Tung University, Management Building 2, 1001 Ta-Hsueh Road, Hsinchu 300, Taiwan

a r t i c l e

i n f o

Article history: Received 17 August 2010 Accepted 2 May 2011 Keywords: DIAMOND Cubes Classification rules Integer program

a b s t r a c t

Identifying the classification rules for patients, based on a given dataset, is an important role in medical tasks. For example, the rules for estimating the likelihood of survival for patients undergoing breast cancer surgery are critical in treatment planning. Many well-known classification methods (as decision tree methods and hyper-plane methods) assume that classes can be separated by a linear function. However, these methods suffer when the boundaries between the classes are non-linear. This study presents a novel method, called DIAMOND, to induce classification rules from datasets containing non-linear interactions between the input data and the classes to be predicted. Given a set of objects with some classes, DIAMOND separates the objects into different cubes, and assigns each cube to a class. Via the unions of these cubes, DIAMOND uses mixed-integer programs to induce classification rules with better rates of accuracy, support and compact. This study uses three practical datasets (Iris flower, HSV patients, and breast cancer patients) to illustrate the advantages of DIAMOND over some current methods.

&2011 Published by Elsevier Ltd.

1. Introduction

Classification, the separation of data into distinct classes, is one of the most common tasks in data mining. Recent studies demonstrate that classification can be applied to analyze the effects of clinical, environmental, and demographic factors on diseases. Classification can also be utilized to response to treat-ment, and the risk of side effects[1].

Classifying objects and recognizing patterns in biological datasets, such as identifying species or predicting the survival for a cancer patient, are generally difficult tasks. Most supervised learning and classification methods are inductive, i.e., they extract general patterns from data. There are two restrictions for some of well-known classification methods (such as decision tree meth-ods and hyper-plane methmeth-ods):

(i) A restriction on the linear relationship between the input data and the classes to be predicted [2]. Decision tree methods, hyper-plane methods, and many statistical methods assume that classes can be separated by a linear function. These methods will suffer if the boundaries between the classes are non-linear. This linearity is normally represented by a linear discriminant function calculated fromPwixi, where xiare the

attributes and wiare the weights of each attribute. In fact, the

linearity assumption prohibits the practical applications of these classification methods, since many biological datasets have complicated non-linear interactions between attributes and predicted classes.

(ii) A restriction on finding only the rules with high accuracy[3]. Many classification methods regard the accuracy of the induced rules as the single objective to achieve. As a result, many current methods generate rules which either cover only a narrow part of the object or require numerous attributes to explain a classification. In fact, as Einstein stated: ‘‘The best explanation should be kept as simple as possible, but not simpler.’’ As Altman and Royston[4]suggested the usefulness of a rule is determined by how well a model works in practice, and not by how many as there are in associated p values.

This study proposes another method of inducing classification rules. The proposed method is applicable to current classification problems in biology and medicine, which typically have the following features:

(i) Our method can treat the classification problems where the relationship between the attributes and the class being predicted can be non-linear. Consider the two attribute classification problem inFig. 1. Where  represents an object of the first class and  represents an object of the second class.Fig. 1(a) clearly shows that there is a linear boundary between the objects of these two classes, while

Fig. 1(b) depicts a situation in which there is no clear linear

relationship between the objects of two classes. Decision tree methods and hyper-plane methods focus on inducing classi-fication rules for the cases inFig. 1(a). Our proposed method can treat the cases inFig. 1(a) and (b).

(ii) Our method can fit the classification problems which are not only to find the rules with high accuracy, but to induce the rules which are more general and simpler. A more general Contents lists available atScienceDirect

journal homepage:www.elsevier.com/locate/cbm

Computers in Biology and Medicine

0010-4825/$ - see front matter & 2011 Published by Elsevier Ltd. doi:10.1016/j.compbiomed.2011.05.002



Corresponding author.

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rule means it can cover more objects. A simpler rule means it can use less number of required attributes to explain a class.

Given a biological dataset with several objects, where each object has some attributes and belongs to a specific class, the rules for classifying these objects are the combinations of attributes that best describe the features of a specific class. Li and Chen[5]described three criteria for evaluating the quality of a rule:

(i) Accuracy rate: The rule fitting a class should not cover the objects of other classes.

(ii) Support rate: The rule fitting a class should be supported by a large number of objects of the same class.

(iii) Compact rate: The rule should include as small number of attributes as possible.

Decision tree methods, support vector hyper-plane methods, and integer programming hyper-plane methods are three well-known classification methods; reviewed as follows:

(i) Decision tree methods: Decision tree methods[6–8] are heur-istics in nature and are similar to the techniques of statistical inference approaches. These methods recursively split the data into hyper-rectangular regions using a single variable. Backward propagation is preformed to prevent over-fitting of the datasets. Attributes leading to substantial entropy reduction are included as condition attributes to partition the data. The main shortcoming of these methods is a fundamentally greedy approach, which may only find a feasible solution, instead of finding an optimal solution with respect to the maximal rates of accuracy, coverage, and compactness.

(ii) Support vector plane methods: Support vector hyper-plane methods [9–11] separate different classes by various hyper-planes, where the optimal separating hyper-plane is modeled as a convex quadratic programming problem. Since the number of variables must equal the number of training data, the training becomes tedious for a large dataset. (iii) Integer program hyper-plane methods: Bertsimas and Shioda[12]

recently used a mixed-integer optimization method[5]to solve the classical statistical problems of classification and regression. Their method separates data points into different regions by using hyper-planes. Each region is assigned a class during the classification. Solving this mixed-integer program, the rules with high rate of accuracy can be induced. However, this approach may generate too many polyhedral regions, which decrease the rate of compact in the induced rules. Using integer programming techniques, Li and Chen[5]developed a multiple criteria method to induce classification rules. Their method clusters data points into polyhedral regions, and yield highly accurate. However, since their approach is based on the concept

of the separating hyper-planes, it may also generate many complicated hyper-planes, and especially for dataset containing a large number of attributes.

Some hyper-sphere methods [13–16] have been developed for classifying objects, which use a sphere-structured support vector machine to partition the sample space. This type of approach constructs a minimum bounding sphere for each class, and the smallest sphere encloses the training data as much as possible. However, these methods need to formulate a classification problem as a non-convex program which is hard to reach an optimal solution. This study proposes a novel method called DIAMOND to improve current classification techniques. For a dataset with objects of various classes, the DIAMOND method clusters these objects into some sets of hyper-cubes. Each object is assigned to a cube by iteratively solving mixed 0–1 programs. This ensures that the most of objects are assigned to a proper set of cubes, where the number of total cubes is minimized.

The following list compares the features of the DIAMOND method with the decision tree methods, hyper-plane methods, and sphere methods mentioned above.

(i) Both hyper-plane methods and decision tree methods need to assume a linear boundary among various classes of objects. The DIAMOND method does not need this assumption.

(ii) Decision tree methods are heuristic approach which can only induce feasible rules. The DIAMOND method is an optimization approach which can find the optimal rules with high rates of accuracy, support and compact. In addition, decision tree meth-ods split the data into hyper-rectangular regions using a single variable, which may generate large number of branches. The DIAMOND method clusters data into cubes based on multiple variables, where the number of cubes can be pre-specified. Thus, the rules induced by the DIAMOND method are more precise than the rules generated by decision tree methods.

(iii) Hyper-plane methods used numerous hyper-planes to sepa-rate objects of different classes, and divide the objects in a dataset into indistinct groups. Which may generate a large number of hyper-planes and associated rules with low rates of coverage. The DIAMOND method classifies objects into cubes, then to unify the related cubes as a class. Which is better able to induce rules with high rates of coverage. (iv) Sphere methods can induce classification rules with better

accuracy level than hyper-plane methods. However, these sphere methods need a non-convex form to express a sphere. This prevents the application in classifying large size data. The DIAMOND method is converted into a linear mixed-integer model, which is more convenient to find an optimal solution. To examine the efficiency of DIAMOND method, this study tests three practical datasets: one of Iris flowers, another of HSV

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patients and a third of breast cancer patients. The results clearly illustrate the advantages of the DIAMOND method over current decision tree methods and separating hyper-plane methods.

This study is organized as follows. Section 2 uses an example to illustrate the basic idea of the DIAMOND method. Section 3 is the formulation of optimization program for the proposed model. Section 4 reports numerical experiments.

2. Basic concepts of the DIAMOND method

This section uses an example to express the basic concepts of the DIAMOND method.

Example 1. Considers the dataset T in Table 1 containing 15 objects ðx1, . . . ,x15Þ, two attributes ða1,a2Þ, and an index of classes

(c). The dataset T is expressed as T ¼ fxiðai,1,ai,2; ciÞji ¼ 1, . . . ,15g.

The domain values of c are f1,2,3g. Since there are only two attributes, these 15 objects can be plotted on a plane (seeFig. 2). A hyper-plane method requires 14 hyper-planes to discriminate the objects in Table 1 shown in Fig. 3. This makes it more complicated to combine these 14 hyper-planes to form the regions for the objects of each class.

Alternatively, a sphere method can use ‘‘5 spheres’’ to classify these objects as Fig. 4(a) shows. Consider A1 in Fig. 4(a) for

instance, sphere A1 contains three objects x1, x2, and x3. Denote

the centroid of A1 as ðb01,b02Þ and radius of A1 as r10 as

Fig. 4(b) shows. The situation in which an object xiðai,1,ai,2; ciÞis

covered by A1is expressed as

ðai,1b01Þ2þ ðai,2b02Þ2rr01 8i ¼ 1,2, . . . ,5: ð1Þ

The situation that an object xiis ‘‘not’’ covered by A1is expressed as

ðai,1b01Þ2þ ðai,2b02Þ24r01 8i ¼ 1,2, . . . ,5: ð2Þ

Sphere methods can classify objects with better accuracy than hyper-plane methods. However, inequality (2) is non-convex, and is difficult to be linearized during the optimization process. Therefore, this study proposes another method, so called the DIAMOND method, to classify these objects.

Instead of using ‘‘hyper-planes’’, DIAMOND uses ‘‘cubes’’ (shaped like diamonds) to classify these objects, where a rule is expressed by the union of cubes which belong to the same class. The DIAMOND method attempts to use the minimal number of cubes to classify these objects, subjected to the constraints that a cube must cover as many objects of a target class as possible.

Fig. 2shows that a good way to classify these 15 objects is to

cluster them using five cubes (see Fig. 5(a)), where Cube S1,1

contains ðx1,x2,x3,x4Þ; Cube S1,2 contains ðx4,x5,x6Þ; Cube S2,1

contains ðx7,x8,x9Þ; Cube S3,1contains ðx12,x13,x14Þ; and Cube S2,2

contains ðx10,x11Þ. Note that x15is not covered by any cube, and is

regarded as a noisy data. The terms Sk,l, pk,l, and rk,l, respectively,

denote the cube, centroid, and radius of the l0th cube for class k.

The radius of a cube is the distance between its centroid point and one of its corner points (Fig. 5(b)). The attribute values of pk,l

are denoted as ðbk,l,1,bk,l,2Þ. The situation that an object

xiðai,1,ai,2; ciÞis covered by a cube Sk,l is expressed as

jai,1bk,l,1j þ jai,2bk,l,2jrrk,l 8i ¼ 1,2, . . . ,5: ð3Þ

The situation that an object xi is not covered by a cube Sk,l is

expressed as

jai,1bk,l,1j þ jai,2bk,l,2j4rk,l 8i ¼ 1,2, . . . ,5: ð4Þ

Comparing (4) with (2), (4) is much easier to linearize by adding two binary variables, as described in Appendix A.

In this study, each cube should cover at least two objects. Since object x15is not covered by any cubes, it is regarded as an outlier.

A rule for class 1 can then be expressed as follows:

‘‘If an object xiis covered by a Cube S1,1or S1,2then xibelongs

to class 1’’. This can be rewritten as

R1: if xiis covered by S1,1[S1,2then ci¼1.

Mathematically, R1can be expressed as

R1: if jai,1b1,1,1j þ jai,2b1,1,2jrr1,1or

jai,1b1,2,1j þ jai,2b1,2,2jrr1,2 then xi is covered by

S1,1[S1,2.

Fig. 4 shows that the objects x1, . . . ,x6 are covered by R1.

Similarly, rule 2 (for classifying class 2) and rule 3 (for classifying class 3) can be expressed as below.

Table 1

Dataset of Example 1.

Object a1 a2 c Symbol Object a1 a2 c Symbol

x1 6 8 1 3 x9 22 15 2 n x2 12 20 1 3 x10 30 11 2 n x3 13 8 1 3 x11 33.5 7.5 2 n x4 18 12.5 1 3 x12 24.5 3.5 3  x5 21 19 1 3 x13 26.5 8 3  x6 23.5 14.5 1 3 x14 23.5 7.5 3  x7 17.5 17.5 2 n x15 6 30 3  x8 22 17 2 n

Fig. 2. Plot of objects.

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R2: if xiis covered by S2,1[S2,2, then ci¼2.

R3: if xiis covered by S3,1, then ci¼3.

Note that cubes S1,1and S1,2.

According to Li and Chen [1], the rates of accuracy, support, and compactness in R1, R2 and R3 can be specified below. These

values are used to measures the quality of a rule. The accuracy rate of a rule Rkis specified as

ARðRkÞ ¼

number of objects covered correctly by Rk

number of objects covered by Rk

: ð5Þ

For instance, ARðR1Þ ¼66¼1.

An object xi is called covered correctly by Rk, if ci¼k.

The support rate of a rule Rkis specified as

SRðRkÞ ¼

number of objects covered correctly by Rk

number of objects of the class k : ð6Þ

For instance, SRðR1Þ ¼66¼1, SRðR2Þ ¼55¼1, but SRðR3Þ ¼34¼0:75.

The compact rate for a set of rules is specified as

CR ¼ number of classes

total number of cubes and unions of cubes, ð7Þ where a union of cubes means the object is covered by different cubes as shown inFig. 6.

TakeFig. 6for instance, where there are three classes, three

cubes (i.e., S2,1, S2,2, S3,1Þand one union of cubes (i.e., S1,1[S1,2)

generated by rules R1, R2and R3. Therefore, CRðR1,R2,R3Þ ¼34.

3. Proposed DIAMOND method and algorithm

3.1. DIAMOND method

Consider a dataset T with n objects. Each object has m attributes fa1, . . . ,amg and belongs to a class, expressed as

T ¼ fxiðai,1, . . . ,ai,m; ciÞji ¼ 1, . . . ,ng where ciAf1, . . . ,gg. Denote the number of objects at the k0th class as numðkÞ, 1rkrg.

Fig. 4. Classify by the spheres. (a) Classify by the sphere method. (b) The radius of sphere Sk,l.

Fig. 5. Classify by proposed method. (a) Classify by cubes. (b) The radius of cube Sk,l.

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Notation 1. An object xiin T is specified as xi¼ ðai,1,ai,2, . . . ,ai,m; ciÞ,

where ai,jis the value of the j0th attribute for the i0th object, and ciis

the class to which the i0th object belongs to c

iAf1, . . . ,gg.

Notation 2. A rule Rkis used to classify the objects of the k0th class

which is specified by the union of a set of qkcubes, expressed as

Rk¼Sk,1[Sk,2[    [Sk,qk.

Notation 3. A l0th cube in the k0th class, denoted as S

k,l, is specified by

its centroid and radius, expressed as Sk,l¼ ðbk,l,1, . . . ,bk,l,m; rk,lÞ, where

bk,l,j is the centroid’s value at the j0th dimension, and rk,l is its radius.

Remark 1. The total number of cubes isPgk ¼ 1qk.

Referring to (3), this yields the following definitions.

Definition 1. An object xi¼ ðai,1, . . . ,ai,m; ciÞis covered by a cube

Sk,l¼ ðbk,l,1, . . . ,bk,l,m; rk,lÞif

Xm j ¼ 1

jai,jbk,l,jjrrk,l: ð8Þ

Remark 2. An object xi is not covered by a cube

Sk,l¼ ðbk,l,1, . . . ,bk,l,m; rk,lÞif and only if

Xm j ¼ 1

jai,jbk,l,jj4rk,l: ð9Þ

Notation 4. Consider a cube Sk,land two objects xiðai,1, . . . ,ai,m; ciÞ

and xi0ðai0,1, . . . ,ai0,m; ci0Þ, where ci¼k and ci0ak. Denote uk,l,i and

vk,l,i0as the two binary variables specified below:

(i) uk,l,i¼1 if object xi is covered by Sk,l, and uk,l,i¼0 otherwise.

(ii) vk,l,i0¼1 if object xi0 is covered by Sk,l, and vk,l,i0¼0 otherwise.

That means if an object xiis covered correctly by a cube Sk,lof

the same class, then uk,l,i¼1. However, if the object xi0is covered

by a cube Sk,l, which is not the same class (i.e., ci0akÞ, then

vk,l,i0¼1.

Definition 2. The accuracy rate of a rule Rkdenoted as ARðRkÞis

specified by referring to (5): ARðRkÞ ¼JR kJPnumðk 0Þ i0¼1 Pqk l ¼ 1vk,l,i0 JRkJ , ð10Þ

where JRkJ indicates the number of total objects covered by Rk.

Definition 3. The support rate of a rule Rk, denoted as SRðRkÞ, is

specified by referring to (6): SRðRkÞ ¼ PnumðkÞ i ¼ 1 Pqk l ¼ 1uk,l,i numðkÞ : ð11Þ

Definition 4. The compact rate of a set of rules R1, . . . ,Rg, denoted

as CRðR1, . . . ,RgÞ, is expressed by referring to (7): CRðR1, . . . ,RgÞ ¼g Xg k ¼ 1 Uk , , ð12Þ

where Ukrepresents the number of cubes and the unions of cubes

for class k.

The DIAMOND model generates a set of diamonds (cubes) to induce a rule that maximizes the support rate subject to the constraint that the accuracy rate must exceed a threshold value. This study also design an iterative algorithm to keep the rate of compact as high as possible. The proposed model of classification is formulated below:

Model 1 (Non-linear DIAMOND model)

MaximizeX qk l ¼ 1 XnðkÞ i ¼ 1 uk,l,i: ð13Þ

For a cube Sk,l, the following constraints must be satisfied:

Xm j ¼ 1

jai,jbk,l,jjrrk,lþMð1uk,l,iÞ, 8xi, where ci¼k, ð14Þ

Xm j ¼ 1

jai0,jbk,l,jj4rk,lMvk,l,i0 8xi0, where ci0ak, ð15Þ

ARðRkÞ ¼JR kJPnumðk0Þi0 ¼ 1 Pqk l ¼ 1vk,l,i0 JRkJ ZThreshold value, ð16Þ

where M ¼ maxfai,j 8i ¼ 1, . . . ,n and j ¼ 1, . . . ,mg; bk,l,jZ0,rk,lZ0, uk,l,i,vk,l,i0Af0,1g; and ai,jand ai0,jare constants.

The objective function (13) is to maximize the support rate. Constraints (14) and (15) come from (8) and (9). Constraint (16) ensures that the accuracy rate should exceed a threshold value. Constraint (14) implies that if a cube Sk,lcovers an object xiof the

same class, then uk,l,i¼1, and uk,l,i¼0 otherwise. Constraint (15)

implies that if a cube Sk,ldoes not cover an object xi0of another

class, then vk,l,i0¼0, and vk,l,i0¼1 otherwise.

Inequalities (14) and (15) are non-linear, which need to be linearized. The related techniques in linearizing Model 1 are expressed by three propositions listed in Appendix A.

Model 1 can then be reformulated as the following linear mixed-binary program:

Model 2 (Linearized DIAMOND model) Maximize ð13Þ

subject to ð16Þ,

Xm j ¼ 1

ai,jbk,l,jþ2ek,l,i,jrrk,lþMð1uk,l,iÞ

ai,jbk,l,jþei,k,l,jZ0 Xm

j ¼ 1

ðai0,jbk,l,j2ai0,j

l

k,l,i0,jþ2zk,l,i0,jÞ4rk,lMvk,l,i0

ai0,jbk,l,j2ai0,j

l

k,l,i0,jþ2zk,l,i0,jZ0

bjð

l

k,l,i0,j1Þ þbk,l,jrzk,l,i0,jrbk,l,jþbjð1

l

k,l,i0,jÞ

0rzk,l,i0,jrbj

l

k,l,i0,j

l

k,l,i,jr

l

k,l,i0,j 8i and i0, where ai,j4ai0,j:

3.2. A solution algorithm

The solution algorithm is listed below. This algorithm attempts to find the rules where the compact rate is as high as possible.

Step 1. Initialization: k¼ 1 and l ¼1 specify the threshold value in (16).

Step 2. Solve Model 2 to obtain the l0th cube of class k. Remove

the objects covered by Sk,lfrom the dataset.

Step 3. Let l ¼ l þ1, and resolve Model 2 until all objects in class k are assigned to the cubes of same class.

Step 4. Let k ¼ k þ 1, and reiterate Step 2 until all classes are assigned.

Step 5. Check the unions of cubes Sk,l; k¼1 and l ¼1.

Step 6. Find the overlapped cubes Sk,l (i.e., l¼l þ1) which cover

the same objects for all l in class k.

Step 7. Let k ¼ k þ 1 and l¼ 1, and reiterate Step 6 until all cubes containing same objects are merged into one.

According to the above algorithm, we can induce all rules for classifying objects in a dataset.Fig. 7presents a flowchart of the algorithm.

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4. Numerical examples

This section tests three datasets to assess the performance of the proposed method. One is the Iris flower dataset introduced by Sir Ronald Aylmer Fisher (1936)[17], another is the HSV (highly selective vagotomy) patients dataset of F. Raszeja Memorial Hospital in Poland [18,19], and the third is the breast cancer patients dataset of the University of Chicago’s Billings Hospital (1976) [20]. The following subsections compare the proposed model with related methods using IBM ILOG CPLEX (2009)[21]. All tests were run on a PC, equipped with an Intel Pentium (D) 2.8 GHz CPU and 2 GB RAM.

4.1. Iris flower dataset

The Iris flower dataset[17]contains 150 objects. Each object described by four attributes (1: sepal length; 2: sepal width; 3: petal length; 4: petal width) and classified by three classes (1: Setosa; 2: Versicolor; 3: Virginica). By utilizing DIAMOND method, the induced classification rules are reported inTable 2.

Table 2contains three rules R1, R2, and R3.

Rule R1is expressed by a cube S1,1, which means that



if jsepal length5:1j þ jsepal width3:2j þ jpetal length1:85j þ jpetal width0:5jr2:45 then the Iris belongs to Setosa. Rule R2is the union of two cubes S2,1and S2,2, which implies that



if jsepal length6:7j þ jsepal width2:6j þ jpetal length3:5j þ jpetal width1:2jr2:5 or jsepal length5:9jþ jsepal width 3:15j þjpetal length4j þ jpetal width1:3jr1:55 then the Iris belongs to Versicolor.

Rule R3is also the union of two cubes S3,1and S3,2, which shows

that



if jsepal length6:2j þjsepal width2:9j þj petal length6:6jþ jpetal width2:4jr2:7orjsepal length5:3jþjsepal width2:45jþ jpetal length4:9j þ jpetal width1:6jr 1:05 then the Iris belongs to Virginica.

Decision tree method[7](seeFig. 8(a)) and polynomial hyper-plane support vector method [22] were also used to induce classification rules for the same data.Fig. 8(a) is the partial Iris classification tree, which only lists the best path for each class. For example, from the following branches know that



if (petal length o3Þ then the Iris belongs to Setosa;



if (petal length Z 3Þ and (petal width Z1:8Þ then the Iris belongs to Virginica.

Table 2

Centroid points for the Iris dataset by the DIAMOND method.

Rule # Union of cubes Sk,l bk,l,1 bk,l,2 bk,l,3 bk,l,4 rk,l

R1 S1,1 S1,1 5.1 3.2 1.85 0.5 2.45 R2 S2,1[S2,2 S2,1 6.7 2.6 3.5 1.2 2.5 S2,2 5.9 3.15 4 1.3 1.55 R3 S3,1[S3,2 S3,1 6.2 2.9 6.6 2.4 2.7 S3,2 5.3 2.45 4.9 1.6 1.05 = = = + = = = + = + =

Fig. 7. Flowchart of the proposed algorithm.

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Table 3lists these results, which demonstrates that

(i) The accuracy rates for R1, R2, and R3 are expressed as

ARðR1,R2,R3Þ ¼ ð1,1,1Þ. The accuracy rate of R1is 1, which means

none of the objects in class 2 or class 3 are covered by S1,1. The

support rates for R1, R2, and R3are SRðR1,R2,R3Þ ¼ ð1,0:98,0:98Þ.

The compact rate of these three rules is CR¼1.

(ii) For the rule of class 1 (i.e., R1), all three methods perform

very well in the rates of accuracy and support. However, for the rules of classes 2 and 3 (i.e., R2 and R3), the DIAMOND

method has the best performance.

(iii) The DIAMOND method achieves the highest rate of compact. Which means that the DIAMOND method can induce rules more compact than other.

The details of the rules found by these three methods are listed

inTables 8–10of Appendix B.

4.2. HSV dataset

The HSV dataset contains 122 patients[5,17–19]. The patients are classified into four classes (1: excellent; 2: very good; 3: satisfactory; 4: unsatisfactory), and each patient has 11 pre-operating attributes (1: gender; 2: age; 3: duration of disease; 4: complication of ulcer; 5: HCL concentration; 6: volume of gastric juice per 1 h; 7: volume of residual gastric juice; 8: basic acid output (BAO); 9: HCL concentra-tion; 10: volume of gastric juice per 1 h; 11: maximal acid output).

The details are expressed by[23]. To maximize the support rate with respect to the constraint that AR Z 0:9 and to minimize the number of cubes, the DIAMOND method generates eight unions of cubes iteratively.Table 4shows the centroids and radiuses of these cubes. The decision tree method was also applied to induce rules for the same dataset, creating 24 branches shown in Fig. 8(b).

Fig. 8(b) is the partial HSV classification tree. For example, from

the branches below know that



if (maximal acid output o12:2Þ and (duration of disease o0:83Þ then the patient belongs to satisfactory;



if (maximal acid output o12:2Þ and (duration of disease Z0:83Þ and (volume of gastric juice per 1 h Z 133Þ and (HCL concentration o5Þ then the patient belongs to excellent. The polynomial hyper-plane method[22]was also applied to find rules for HSV dataset, which has 45 hyper-planes. Table 5also shows that the DIAMOND method can find rules with higher (or equal) rates of AR, SR and CR than the other two methods. These details are reported inTables 11–13of Appendix B.

The experiments demonstrated that for all classes, the DIAMOND method generated rules with highest rates of accuracy, support, and compactness.

4.3. Breast cancer dataset

The breast cancer dataset used in this study contains 294 patients

[20]. Surviving patients are classified into two classes (1: the patient survived 5 years or longer; 2: the patient died within 5 year), and each patient has three attributes (1: age of patient at time of operation; 2: patient’s year of operation; 3: number of positive auxillary nodes detected). For this dataset, the DIAMOND method generates four unions of cubes for classifying 294 patients. The centroids and radiuses of these cubes are listed in Tables 6 and 7

compare the results. Table 7 further indicates that the DIAMOND method achieves better performance is better than the other

Table 4

Centroid points for HSV data by the DIAMOND method.

Rule # Union of cubes Sk,l bk,l,1 bk,l,2 bk,l,3 bk,l,4 bk,l,5 bk,l,6 bk,l,7 bk,l,8 bk,l,9 bk,l,10 bk,l,11 rk,l

R1 S1,1[    [S1,11 S1,1 0 63 14 2 14.7 86.5 180 13.8 23.3 627 61.8 565.5 S1,2 1 35.2 11 1 11.7 29 66.75 10.3 20.8 139.1 53.8 180.15 S1,3 1 38.1 8 3 4.1 159 118.45 21.6 5.3 115 49.8 205.85 S1,4 1 33 0 2 8.1 82 29.15 1.7 14.7 232 78.2 146.65 S1,5 0 59 16.05 2 2.5 34 32 12.8 16.7 81.5 16.95 142.5 S1,6 1 38 30 3 20.9 389.7 120 39.1 14.7 174.25 78.2 419.45 S1,7 1 40 5 2 8.6 122 5 8.7 34.5 336 8.4 221.2 S1,8 0 50 12 0 15.7 140 14.05 11.8 12.3 199 93.1 147.35 S1,9 1 35.1 4 3 4 149.35 38 15.7 12.5 128 8.45 100.4 S1,10 1 42 14 2.1 12.6 83.5 170.25 24.7 14.8 818.7 70.25 739.3 S1,11 1 60 10 3 4.2 97 112.75 26.8 13.9 163 104.2 241.75 R2 S2,1[    [S2,6 S2,1 0 27 16.45 4 11.7 198 88 11.4 34.5 172 10.9 152.35 S2,2 1 32 5 2 15.9 185 56.95 13.2 11 223 13.8 113.55 S2,3 1 50 32 3.9 10 191 6 1.1 12.3 199 13.7 146.1 S2,4 1 56 9 4 10.3 76 6 8.5 9.8 165.7 93.1 153.2 S2,5 1 32 4 1 8.3 118 60 9.2 27.5 163 13 99.3 S2,6 1 27 2 4 20.9 213 26 14.6 6.5 266 85.1 167.6 R3 S3,1[    [S3,5 S3,1 1 56 6 0 4 170.3 120 6.1 21 232 13.8 156.9 S3,2 1 27 20 3 6.8 91.25 67.15 5.2 19 87.2 12 103.8 S3,3 0 54 7 2 7.1 194.4 131.05 9.2 19 391.1 15.2 240.85 S3,4 1 56 4 2 14.1 212 78 14.6 16.7 41 6.3 201.5 S3,5 1 33 3 4 6.8 224.88 132 3.9 11 175.2 19.8 166 R4 S4,1 S4,1 1 27 8 3 26.1 69 13 2.6 11.8 58.15 10.3 82.75 S4,2 S4,2 1 51 11 4 21 474.2 50 3.6 38.7 387 151.4 527.3 S4,3 S4,3 1 60 8 4 6 225 43.75 7.9 5.6 183 56.6 150.75 S4,4 S4,4 1 28 11 1 7.5 143 32 36.1 16.7 202.85 17.2 95.85 S4,5 S4,5 1 46 12 2 7.4 35.7 21.1 4.4 17.8 165 12.2 88.3 Table 3

Comparison results for the Iris dataset ðR1,R2,R3Þ.

Items DIAMOND Decision tree Hyper-plane support vector ARðR1,R2,R3Þ (1,1,1) (1,0.98,0.98) (1,0.98,0.96)

SRðR1,R2,R3Þ (1,0.98,0.98) (1,0.98,0.98) (1,0.96,0.98)

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two methods. Detailed results for all three methods are reported in

Tables 14–16of Appendix B.

5. Implications and limitations of the DIAMOND method

The implications and limitations of using DIAMOND method to classify biological datasets are discussed as follows:

(i) The DIAMOND model in this paper is implemented by CPLEX (2009)[21], one of the most powerful mixed-integer program-ming packages. The program size for a linearized DIAMOND model (i.e., Model 2) is listed below:



number of binary variables: nq,



number of continuous variables: mnq,



number of linear constraints: 5mnq,

where n is the number of objects, m is the number of attributes, and q is the number of classes. A PC version CPLEX can typically solve a program containing around 1000 binary variables, 10,000 continuous variables and 100,000 linear constraints. Thus, using a PC version CPLEX, the DIAMOND method is capable of solving classification programs including 250 objects (n¼250), eight attributes (m ¼8) and four classes (q¼4), or solving the programs with n¼450, m¼10 and q¼10.

(ii) The computing time for solving a mixed-integer program grows rapidly as the number of binary variables increases. Therefore, the computing time of the DIAMOND method is slower than decision tree methods, especially for large size datasets. For instance, for running the breast cancer dataset[20](294 patients, three attributes and two classes) by the DIAMOND method on a PC version CPLEX takes about 10 min. While a decision tree method takes only 5 min for solving the same problem. Recently, Li and Lu[24]developed a logarithmic method to accelerate the solution speed of solving an integer program, which may be helpful in enhancing the DIAMOND method.

(iii) Existing genomic fingerprinting techniques, such as single nucleotide polymorphisms (SNPs) and gene expression micro-arrays, often yield records with thousands of entries that are usually interpreted as binary. Therefore we need to use a

Table 5

Comparison of results for the HSV dataset ðR1,R2,R3,R4Þ.

Items DIAMOND Decision tree Hyper-plane support vector

ARðR1,R2,R3,R4Þ (1,1,1,1) (0.93,0.81,0.7,0.71) (0.9,1,1,0.9)

SRðR1,R2,R3,R4Þ (0.98,0.89,0.89,0.79) (0.93,0.72,0.78,0.71) (0.9,0.72,0.67,0.69)

CR 0.5 0.17 0.09

Table 6

Centroid points for breast cancer data by the DIAMOND method.

Rule # Union of cubes Sk,l bk,l,1 bk,l,2 bk,l,3 rk,l Sk,l bk,l,1 bk,l,2 bk,l,3 rk,l

R1 S1,1[    [S1,32 S1,1 54.503 60.998 0 6.495 S1,2 37.5 61.498 4.003 9.995 S1,3 65.5 67 0 6.495 S1,4 50.003 67.995 0.003 5.995 S1,5 48.5 60.003 1.503 4.995 S1,6 58.498 60.498 0 5.995 S1,7 57.498 69 1.998 5.495 S1,8 32 68.998 2.498 11.495 S1,9 40.003 66.003 15 10.995 S1,10 41.998 65.498 2 4.495 S1,11 73.003 69 0.498 7.495 S1,12 44.5 61 1 4.495 S1,13 64 58 6.503 8.498 S1,14 49.503 61 6 5.498 S1,15 63 63.503 3 5.498 S1,16 60 69 28.498 14.498 S1,17 38 58 1.5 6.495 S1,18 76 59.003 2 7.998 S1,19 48.998 64 4.498 5.495 S1,20 60 64 12.498 6.498 S1,21 69 61.5 0 4.495 S1,22 38.998 61.998 12 11.995 S1,23 33 69 44.5 28.495 S1,24 45.5 64 2 4.495 S1,25 55 60 19 7.995 S1,26 48 58 5.998 4.998 S1,27 46.998 67.503 1 3.5 S1,28 59.5 64 3.998 4.498 S1,29 59 61 10 6.995 S1,30 34 58 19.498 12.498 S1,31 49.498 69 17.998 9.495 S1,32 51 67.998 19.498 8.495 R2 S2,1[    [S1,24 S2,1 53 64.5 13 8.495 S2,2 48.503 58 24.498 14.995 S2,3 61 62 16.003 9.998 S2,4 54.5 65 5.003 5.498 S2,5 44 64.5 9 7.495 S2,6 44 63 38.5 21.495 S2,7 52 58 3 2.995 S2,8 41.003 68.998 3 5 S2,9 67 64 7 7.995 S2,10 61.503 60 3.997 4.494 S2,11 52.503 66.003 3.5 4 S2,12 71.003 62.003 5.003 6.997 S2,13 83 62.003 2.497 9.494 S2,14 55.503 61.494 8.003 4.994 S2,15 44 58 1.003 2.997 S2,16 45.997 65.003 2.5 4.494 S2,17 45.003 68.503 7 5.494 S2,18 66 65.997 10.003 7.994 S2,19 56 62 5 5.994 S2,20 46.003 65.494 3.003 4.494 S2,21 72.003 63.003 6.503 7.497 S2,22 83 58 3.503 13.497 S2,23 43.503 59 5.5 4.997 S2,24 55.503 58.503 4.5 4.494 S2,25 S2,25 43 64 0 0.994 S2,26 S2,26 60.5 65.5 1 2.994 Table 7

Comparison of results for the breast cancer dataset ðR1,R2Þ.

Items DIAMOND Decision tree Hyper-plane

support vector ARðR1,R2Þ (1,1) (0.92,0.77) (0.8,0.6)

SR ðR1,R2Þ (0.98,0.81) (0.92,0.77) (0.92,0.7)

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mainframe version CPLEX to solve a large size classification problem. Some current bioinformatics or biological problems are formulated as a mixed-integer linear programs (MILP) and solved by CPLEX software carrying out on mainframe versions. Klau et al.[25]formed a linear program for solving minimal set of probe selection on a microarray for each biological sample; Li and Fu[26]and Deng et al.[27]proposed a MILP for solving DNA microarray. Their methods were to minimize the number of non-unique probes and can identify the algorithm complexity (i.e., O(n)) and error tolerance, and some of the experiments were carried out on Sun Fire 280 R with Solaris 8. Than et al.[28]

and Rockville[29]used MILP to solve genome-scale multi-locus datasets and large scale biological datasets on mainframe computers (such as Linux). By referring to their reports on computation, we can estimate the problem size solvable by a DIAMOND model on mainframe system as



number of binary variables: nq620,000,



number of continuous variables: mnq6100,000,



number of linear constraints: 5mnq6500,000,

which implies the DIAMOND method, operated under a main-frame system, can solve classification problems over 2000 object, 10 attributes and 10 classes.

(iv) The DIAMOND method uses mixed-integer techniques to find separated cubes of various classes, which is an optimization process of achieving an optimal solution. However, in con-necting the cubes of the same class, the DIAMOND method uses a heuristic process which may only reach a feasible solution. How to use an optimal process to connect the cubes of the same class is an interesting issue for further study.

6. Conclusion

This study presents a method, called DIAMOND, to classify objects with various classes. In solving a mixed 0–1 linear program, DIA-MOND generates a set of cubes to cluster objects of the same class. This approach achieves an accuracy rate (AR) higher than a threshold value, and maximizes the associated support rate (SR). The DIAMOND method also keeps the compact rate (CR) for all rules as high as possible via an iterative solution algorithm. Three commonly used datasets (Iris, HSV, and the breast cancer) were tested to illustrate that, comparing with a decision tree method and a hyper-plane support vector method, the DIAMOND method can induce rules with higher AR, SR, and CR values. Owing to the capacity restriction of current mixed-integer programs, the DIAMOND method cannot solve a classification problem containing thousands of objects in reasonable time. More efforts are needed to accelerate the computation speed of the DIAMOND method.

Acknowledgement

This study has been supported partially by NSC 98-2221-E-009-050-MY3 of National Science Council of Taiwan, R.O.C.

Appendix A

Proposition 1. Inequality (14) is linearized as follows referring to Li[30]:

Xm j ¼ 1

ðai,jbk,l,jþ2ek,l,i,jÞrrk,lþMð1uk,l,iÞ, ð17Þ

ai,jbk,l,jþek,l,i,jZ0, ð18Þ

where ek,l,i,jZ0.

Proof.

(i) If ai,jbk,l,jZ0 then ek,l,i,j¼0. Which results in

ai,jbk,l,jþ2ek,l,i,j¼ai,jbk,l,j¼ jai,jbk,l,jj.

(ii) If bk,l,jai,jZ0 then ek,l,i,jZbk,l,jai,jZ0. Which results in ai,jbk,l,jþ2ek,l,i,jZbk,l,jai,j¼ jai,jbk,l,jj. &

Proposition 2. Inequality (15) can be linearized as follows: Xm j ¼ 1 jai0,jbk,l,jj ð19Þ ¼X m j ¼ 1 ð12

l

k,l,i0,jÞðai0,jbk,l,jÞ ð20Þ ¼X m j ¼ 1

ðai0,jbk,l,j2ai0,j

l

k,l,i0,jþ2zk,l,i0,jÞ4rk,lMvk,l,i0, ð21Þ

where

ai0,jbk,l,j2ai0,j

l

k,l,i0,jþ2zk,l,i0,jZ0, ð22Þ

bjð

l

k,l,i0,j1Þ þbk,l,jrzk,l,i0,jrbk,l,jþbjð1

l

k,l,i0,jÞ, ð23Þ

0rzk,l,i0,jrbj

l

k,l,i0,j, ð24Þ

bjis constant,bj¼maxfai0,j; 8i02ig= and

l

k,l,i0,jAf0,1g: ð25Þ

Proof.

(i) If

l

k,l,i0,j¼0 then zk,l,i0,j¼0 from (23), which results in

jai0,jbk,l,jj ¼ai0,jbk,l,j.

(ii) If

l

k,l,i0,j¼1 then zk,l,i0,j¼bk,l,j from (22), which results in

jai0,jbk,l,jj ¼ai0,jbk,l,j2ai0,jþ2bk,l,j¼bk,l,jai0,j. &

Appendix B

Tables 8–16.

Table 8

Classification results for the Iris dataset by the DIAMOND method. Rule Unions of cubes Covered objects (#) AR SR Correctly Incorrectly R1 S1,1 1–50 None 1 1 R2 S2,1[S2,1 51, 52, 53, 54, 55, 56, 57, 58, 59, None 1 0.98 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, 100 R3 S3,1[S3,1 101, 102, 103, 104, 105, 106, 107, None 1 0.98 108, 109, 110, 111, 112, 113, 114, 115, 116, 117, 118, 119, 120, 121, 122, 123, 124, 125, 126, 127, 128, 129, 130, 131, 133, 134, 135, 136, 137, 138, 139, 140, 141, 142, 143, 144, 145, 146, 147, 148, 149, 150 CRðR1,R2,R3Þ ¼33¼1.

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Table 11

Classification results for the HSV data by the DIAMOND method.

Rule Unions of cubes Covered objects (#) AR SR

Correctly Incorrect (miss)

R1 S1,1[S1,2[   S1,11 1, 2, 3, 4, 6, 7, 8, 9, 11, 14, 15, 16, 17, 19, 21, 22, 23, (30,33) 1 0.96 25, 26, 27, 28, 29, 31, 32, 34, 35, 36, 37, 38, 40, 46, 47, 48, 49, 50, 52, 53, 55, 56, 57, 58, 60, 61, 66, 67, 68, 69, 70, 71, 72, 74, 76, 77, 78, 83, 84, 85, 88, 89, 91, 93, 94, 97, 98, 99, 100, 102, 104, 106, 108, 111, 112, 113, 114, 115, 116, 117, 119, 122 R2 S2,1[S2,2[   S2,6 10, 12, 20, 44, 45, 51, 54, 62, 73, 80, 86, 87, 90, 96, (44,73,96) 1 0.83 103, 110, 120, 121 R3 S3,1[S3,3 43, 79, 109, 118 24 1 0.89 S3,2[S3,4 5, 13, 65, 82 R4 S4,1 18, 64 118 (95,105,107) 0.91 0.79 S4,2 39, 63, 75 S4,3 42, 59 S4,4 81, 92 S4,5 41, 101 CRðR1,R2,R3,,R4Þ ¼144¼0:29. Table 9

Decision tree method for the Iris dataset.

Rule Decision branch AR SR

R1 If ða3o3Þ then objects belong to class 1 1 1

R2 If ða3 Z 3Þ \ ða4o1:8Þ \ ða3o5Þ \ ða4o1:7Þ or if ða3Z3Þ \ ða4o1:8Þ \ ða3Z5Þ \ ða4Z1:6Þ then objects belong to class 2 0.98 0.98

R3 If ða3 Z 3Þ \ ða4o1:8Þ \ ða3o5Þ \ ða4Z1:7Þ or if ða3Z3Þ \ ða4o1:8Þ \ ða3Z5Þ \ ða4o1:6Þ or if ða3Z3Þ \ ða4Z1:8Þ then objects belong to class 3 0.98 0.98

CRðR1,R2,R3Þ ¼36¼0:5.

Table 10

Hyper-plane method for the Iris dataset.

Rule Support vectors (polynomial function) AR SR

# ðyi,yjÞ ða1,a2,a3,a4Þ R1 1 (0.008,0.0004) (5.1,3.3,1.7,0.5) 1 1 2 (0,0.0006) (4.8,3.4,1.9,0.2) 3 (0.0005,0) (4.5,2.3,1.3,0.3) 4 (0,0.0006) (5.1,3.8,1.9,0.4) R2 5 (  0,1) (5.9,3.2,4.8,1.8) 0.98 0.96 6 (  0,0.535) (6.3,2.5,4.9,1.5) 7 (  0,0.598) (6.7,3,5,1.7) 8 (  0,1) (6,2.7,5.1,1.6) 9 (  0.009,0) (5.1,2.5,3,1.1) R3 10 (  0.0018, 0.0302) (4.9,2.5,4.5,1.7) 0.96 0.98 11 (  0,  0.1541) (6,2.2,5,1.5) 12 (  0,  0.2262) (6.2,2.8,4.8,1.8) 13 (  0,  0.6437) (6.1,3,4.9,1.8) 14 (  0,  0.0793) (7.2,3,5.8,1.6) 15 (  0,  1) (6.3,2.8,5.1,1.5) 16 (  0,  1) (6,3,4.8,1.8) CRðR1,R2,R3Þ ¼163¼0:1875. Table 12

Decision tree method for the HSV dataset.

Rules Decision branch AR SR

R1 If (a11o 12.2) \(a3 Z 0.83) \(a6 o 133) \(a9 o 5.7) \(a7 Z 88) or 0.93 0.93

If (a11o 12.2) \(a3 Z 0.83) \(a6 o 133) \(a9 Z 5.7) \(a8 o 2.6) or

If (a11o 12.2) \(a3 Z 0.83) \(a6 o 133) \(a9 Z 5.7) \(a8 Z 2.6) \(a6 Z 60) \(a2 Z 28) or If (a11o 12.2) \(a3 Z 0.83) \(a6 Z 133) \(a9 o 5) or

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Table 12 (continued )

Rules Decision branch AR SR

If (a11 Z 12.2) \(a6o 166) \ (a9 o 14.2) \(a2 o 37) \(a9 o 11.7) \(a3 o 11) or If (a11 Z 12.2) \(a6o 166) \(a9 o 14.2) \(a2 o 37) \(a9 Z 11.7) \(a7 o 27) or

If (a11 Z 12.2) \(a6o 166) \(a9 o 14.2) \(a2 o 37) \(a9 Z 11.7) \(a7 Z 27) \(a6 o 57) or If (a11 Z 12.2) \(a6o 166) \(a9 o 14.2) \(a2 Z 37) \(a2 Z 46) or

If (a11 Z 12.2) \(a6o 166) \(a9 Z 14.2) or

If (a11 Z 12.2) \(a6 Z 166) \(a11o 39.1) \(a6 o 249) \(a9 o 8.7) \(a2 o 26) or If (a11 Z 12.2) \(a6 Z 166) \(a11o 39.1) \(a6 Z 249) or

If(a11 Z 12.2) \(a6 Z 166) \(a11 Z 39.1) \(a3o 0.83) then objects belong to class 1

R2 If (a11o 12.2) \(a3 Z 0.83) \(a6 Z 133) \(a9 Z 5) or 0.81 0.72

If (a11 Z 12.2) \(a6o 166) \ (a9 o 14.2) \(a2 o 37) \(a9 o 11.7) \(a3 Z 11) or

If (a11 Z 12.2) \(a6o 166) \(a9 o 14.2) \(a2 o 37) \ (a9 Z 11.7) \(a7 Z 27) \(a6 Z 57) or

If (a11 Z 12.2) \(a6 Z 166) \(a11o 39.1) \(a6 o 249) \(a9 Z 8.7) \(a6 o 214) then objects belong to class 2

R3 If (a11o 12.2) \(a3 o 0.83) or 0.7 0.78

If (a11 Z 12.2) \(a6o 166) \(a9 o 14.2) \(a2 Z 37) or \(a2 o 46) or

If (a11 Z 12.2) \(a6 Z 166) \(a11o 39.1) \(a6 o 249) \(a9 o 8.7) \(a2 Z 26) then objects belong to class 3

R4 If (a11 Z 12.2) \(a6 Z 166) \(a11o 39.1) \(a6 o 249) \(a9 Z 8.7) \(a6 Z 214) or 0.71 0.71

If (a11o 12.2) \(a3 Z 0.83) \(a6 o 133) \(a9 o 5.7) \(a7 o 88) or

If (a11o 12.2) \(a3 Z 0.83) \(a6 o 133) \(a9 Z 5.7) \(a8 Z 2.6) \(a6 o 60) or

If (a11o 12.2) \(a3 Z 0.83) \(a6 o 133) \(a9 Z 5.7) \(a8 Z 2.6) \(a6 Z 60) \(a2 o 28) or If (a11 Z 12.2) \(a6 Z 166) \(a11 Z 39.1) \(a3 Z 0.83) then objects belong to class 4 CRðR1,R2,R3,,R4Þ ¼246¼0:17.

Table 13

Hyper-plane method for the HSV dataset.

Rule # Support vectors (polynomial function) AR SR

(yi) ða1,a2, . . . ,a11Þ R1 1 (0.229,0.114,0.164) (0,22,2,0,8.3,111,28,9.2,20.8,192,39.8) 0.9 0.9 ^ 19 (0.2290.1140.164) (0,35,4,0,3.8,57,116,2.2,10.4,191,19.8) R2 20 ( 1,0.5,0.713) (0,33,2,2,8.7,135,54,11.8,29,186,53.8) 1 0.72 ^ 33 ( 1,0.5,0.713) (0,28,4,0,8.9,88,28,7.8,12.3,163,20) R3 34 ( 1,  1,1) (0,54,2,3,5.3,166,124,8.7,6.8,236,16) 1 0.67 ^ 40 ( 1,  1,1) (0,45,3,0,5.2,67,128,3.5,11.8,230,27.1) R4 41 ( 1,  1, 0.7) (1,40,4,0,8.1,62,17,5,5.6,41,2.3) 0.9 0.69 ^ 45 ( 1,  1, 0.7) (0,50,8,4,10.6,185,21,19.6,25.3,224,56.6) CRðR1,R2,R3,,R4Þ ¼454¼0:09. Table 14

Classification results for the breast cancer dataset by the DIAMOND method.

Rule Cube # Covered objects (#) AR SR

Correctly Incorrectly (miss)

R1 S1,1[S1,2[ 1, 2, 3, 4, 5, 6, 7, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, (10, 43, 50, 70, 80, 84, 85, 89, 106, 113, 134, 175, 177, 245, 263, 271, 288, 291, 298) 1 0.92 S1,3[S1,4[ 21, 22, 23, 24, 26, 27, 28, 29, 30, 31, 32, 33, 34, 36, S1,5[S1,6[ 37, 38, 39, 40, 41, 42, 47, 48, 49, 51, 52, 53, 56, 57, S1,8[S1,9[ 58, 59, 60, 61, 62, 67, 68, 69, 71, 72, 73, 77, 78, 79, S1,10[S1,11[ 86, 87, 88, 94, 95, 96, 100, 101, 102, 103, 104, 105, S1,13[S1,14[ 107, 111, 112, 114, 117, 118, 119, 120, 121, 122, 123, S1,16[S1,17[ 124, 127, 128, 129, 130, 131, 132, 133, 135, 136, 139, S1,18[S1,19[ 140, 141, 142, 147, 148, 149, 150, 151, 152, 153, 154, S1,20[S1,21[ 155, 156, 163, 164, 165, 166, 167, 172, 173, 174, 176, S1,22[S1,24[ 179, 180, 183, 184, 185, 187, 193, 197, 203, 204, 205, S1,26[S1,28[ 206, 207, 209, 210, 211, 213, 214, 215, 217, 218, 219, S1,29 221, 226, 235, 237, 243, 244, 247, 248, 249, 250, 251, 256, 257, 258, 264, 265, 267, 268, 273, 276, 277, 279, 280, 281, 284, 285, 289, 290, 292, 293, 295, 296, 297, 299, 301, 302, 303, 304 S1,7 188, 190, 194, 195, 196, 202, 208, 212, 223, 227 S1,12[S1,15[S1,30 201, 220, 222, 236, 242, 252, 254, 266

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References

[1] N. Risch, Searching for genetic determinants in the new millennium, Nature 405 (6788) (2000) 847–856.

[2] A. Fielding, Cluster and Classification Techniques for the Biosciences, Cam-bridge University Press, 2007 (ISBN 0521852811).

[3] P. Royston, Choice of scale for cubic smoothing spline models in medical applications, Statistics in Medicine 19 (9) (2000) 1191–1205.

[4] D. Altman, P. Royston, What do we mean by validating a prognostic model? Statistics in Medicine 19 (4) (2000) 453–473.

[5] H. Li, M. Chen, Induction of multiple criteria optimal classification rules for biological and medical data, Computers in Biology and Medicine 38 (1) (2008) 42–52.

[6] L. Breiman, J. Friedman, R. Olshen, C. Stone, Classification and Regression Trees, vol. 1, Wadsworth, Belmont, CA, 1984.

[7] J. Quinlan, C4. 5: Programs for Machine Learning, Morgan Kaufmann, 1993 (ISBN 1558602380).

[8] H. Kim, W. Loh, Classification trees with unbiased multiway splits, Journal of the American Statistical Association 96 (454) (2001) 589–604.

[9] V. Vapnik, The Nature of Statistical Learning Theory, Springer Verlag, 2000 (ISBN 0387987800).

[10] R. Rifkin, Everything Old Is New Again: A Fresh Look at Historical Approaches in Machine Learning, Ph.D. Thesis, MaSSachuSettS InStitute of Technology, 2002.

[11] S. Katagiri, S. Abe, Incremental training of support vector machines using hyperspheres, Pattern Recognition Letters 27 (13) (2006) 1495–1507. [12] D. Bertsimas, R. Shioda, Classification and regression via integer optimization,

Operations Research 55 (2) (2007) 252–271.

[13] X. Wei, Y. Li, Linear programming minimum sphere set covering for extreme learning machines, Neurocomputing 71 (4–6) (2008) 570–575.

[14] L. Gu, H. Wu, A kernel-based fuzzy greedy multiple hyperspheres covering algorithm for pattern classification, Neurocomputing 72 (1–3) (2008) 313–320.

[15] Y. Lin, X. Wang, W. Ng, Q. Chang, D. Yeung, X. Wang, Sphere classification for ambiguous data, in: Proceedings of the Fifth International Conference on Machine Learning and Cybernetics, 2006, pp. 13–16.

[16] H. Mhand, M. Rym, et al., A literature review on circle and sphere packing problems: models and methodologies, Advances in Operations Research 2009 (2009).

[17] R. Fisher, et al., The use of multiple measurements in taxonomic problems, Annals of Eugenics 7 (1936) 179–188.

[18] K. Slowinski, Rough classification of HSV patients, in: Intelligent Decision Support—Handbook of Applications and Advances of the Rough Sets Theory, 1992, pp. 77–94.

Table 16

Hyper-plane method for the breast cancer dataset.

Rule # Support vectors (linear function) AR SR (yi) ða1,a2,a3Þ R1 1 1 (31,65,4) 0.8 0.92 ^ ^ ^ 81 1 (76,67,0) R2 1 (  1) (38,69,21) 0.6 0.7 ^ ^ ^ 80 (  1) (67,64,8) CRðR1,R2Þ ¼1612 ¼0:01. Table 14 (continued )

Rule Cube # Covered objects (#) AR SR

Correctly Incorrectly (miss)

S1,23 189, 228, 253, 255 S1,25 272, 278, 283 S1,27 178, 186 R2 S2,1[S2,9 44, 63, 76, 93, 97, 108, 109, 137, 161, 169, 216 (8, 9, 25, 35, 45, 55, 83, 90, 98, 115, 126, 143, 145, 232, 240, 259, 269, 294) 1 0.78 S2,2[S2,3[S2,4 116, 125, 146, 162, 168, 170, 171, 181, 182, 191, 192, 199, 224, 239, 241, 261, 262, 270 S2,5 138, 144, 157 S2,6 74, 81, 110 S2,7 260, 274, 275 S2,8 46, 54, 91 S2,10 160, 198 S2,11 282, 300 S2,12 286, 287 S2,13 65, 66 S2,14 64, 75 S2,15 158, 200 S2,16 82, 99 S2,17 305, 306 S2,18 230, 246 S2,19 225, 231 S2,20 92 CRðR1,R2Þ ¼232¼0:09. Table 15

Decision tree method for the breast cancer dataset.

Rules Decision branch AR SR

R1 If ða3o9Þ \ ða1o78Þ \ ða3o3Þ \ ða1o48Þ \ ða2o64Þ \ ða1o43Þ or 0.92 0.77

If ða3o9Þ \ ða1o78Þ \ ða3o3Þ \ ða1o48Þ \ ða2o64Þ \ ða1Z43Þ \ ða2Z60Þ or ^ or

If ða2Z61Þ \ ða3Z25Þ then objects belong to class 1

R2 If ða3o9Þ \ ða1o78Þ \ ða3o3Þ \ ða1o48Þ \ða2o64Þ \ ða1Z43Þ \ ða2o60Þ or 0.92 0.77

^ or

If ða3Z9Þ \ ða2Z61Þ \ ða3o25Þ \ ða1Z65Þ then objects belong to class 2

(13)

[19] D. Dunn, W. Thomas, J. Hunter, An evaluation of highly selective vagotomy in the treatment of chronic duodenal ulcer, Surgery, Gynecology & Obstetrics 150 (6) (1980) 845.

[20] S. Haberman, Generalized residuals for log-linear models, in: Invited Papers: Proceedings of the 9th International Biometric Conference, Biometric Society, Boston, August 22–27, 1976, p. 104.

[21] IBM/ILOG, Cplex 12.0 reference manual, Software, 2009. Available at /http:// www.ilog.com/products/cplex/S, 2009.

[22] C. Chang, C. Lin, LIBSVM: a library for support vector machines, 2001. [23] J. Goligher, G. Hill, T. Kenny, E. Nutter, Proximal gastric vagotomy without

drainage for duodenal ulcer: results after 5–8 years, British Journal Surgery 65 (3) (1978) 145–151.

[24] H. Li, H. Lu, Global optimization for generalized geometric programs with mixed free-sign variables, Operations Research 57 (3) (2009) 701–713. [25] G. Klau, S. Rahmann, A. Schliep, M. Vingron, K. Reinert, Optimal robust

non-unique probe selection using integer linear programming, Bioinformatics 20 (Suppl. 1) (2004) i186.

[26] H. Li, C. Fu, A linear programming approach for identifying a consensus sequence on DNA sequences, Bioinformatics 21 (9) (2005) 1838.

[27] P. Deng, M. Thai, Q. Ma, W. Wu, Efficient non-unique probes selection algorithms for DNA microarray, BMC Genomics 9 (Suppl. 1) (2008) S22. [28] C. Than, R. Sugino, H. Innan, L. Nakhleh, Efficient inference of bacterial strain

trees from genome-scale multilocus data, Bioinformatics 24 (13) (2008) i123.

[29] M. Rockville, Large Scale Computing and Storage Requirements for Biological and Environmental Research, Technical Report, Ernest Orlando Lawrence Berkeley National Laboratory, Berkeley, CA (US), 2009.

[30] H. Li, An efficient method for solving linear goal programming problems, Journal of Optimization Theory and Applications 90 (2) (1996) 465–469.

Han-Lin Li obtained his PhD degree from University of Pennsylvania 1983. He has been Chair Professor at National Chain Tung University, Taiwan, since 2006. His research areas include global optimization, decision support system, and bioinfor-matics. He is also the outstanding researcher of National Science Council of Taiwan Government.

Yao-Huei Huang is a PhD student now. His research fields include global optimization and decision support system.

數據

Fig. 1. Classifying the relationship between the objects of two classes. (a) Linear relationship
Fig. 4 (b) shows. The situation in which an object x i ða i,1 ,a i,2 ; c i Þ is
Fig. 4. Classify by the spheres. (a) Classify by the sphere method. (b) The radius of sphere S k,l .
Table 2 contains three rules R 1 , R 2 , and R 3 .
+2

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