Chris Ding

How to selecting a small subset out of the thousands of genes in microarray data is important for accurate classification of phenotypes. Widely used methods typically rank genes according to their differential expressions among phenotypes and pick the top-ranked genes. We observe that feature sets so obtained have certain redundancy and study methods to minimize it. We propose a minimum redundancy - maximum relevance (MRMR) feature selection framework. Genes selected via MRMR provide a more balanced coverage of the space and capture broader characteristics of phenotypes. They lead to significantly improved class predictions in extensive experiments on 6 gene expression data sets: NCI, Lymphoma, Lung, Child Leukemia, Leukemia, and Colon. Improvements are observed consistently among 4 classification methods: Naive Bayes, Linear discriminant analysis, Logistic regression, and Support vector machines. SUPPLIMENTARY: The top 60 MRMR genes for each of the datasets are listed in http://crd.lbl.gov/~cding/MRMR/. More information related to MRMR methods can be found at http://www.hpeng.net/.

Feature selection is an important component of many machine learning applica-tions. Especially in many bioinformatics tasks, efficient and robust feature se-lection methods are desired to extract meaningful features and eliminate noisy ones. In this paper, we propose a new robust feature selection method with em-phasizing joint `2,1-norm minimization on both loss function and regularization. The `2,1-norm based loss function is robust to outliers in data points and the `2,1-norm regularization selects features across all data points with joint sparsity. An efficient algorithm is introduced with proved convergence. Our regression based objective makes the feature selection process more efficient. Our method has been applied into both genomic and proteomic biomarkers discovery. Extensive empir-ical studies are performed on six data sets to demonstrate the performance of our feature selection method. 1

Principal component analysis (PCA) is a widely used statistical technique for unsupervised dimension reduction. K-means clustering is a commonly used data clustering for performing unsupervised learning tasks. Here we prove that principal components are the continuous solutions to the discrete cluster membership indicators for K-means clustering. New lower bounds for K-means objective function are derived, which is the total variance minus the eigenvalues of the data covariance matrix. These results indicate that unsupervised dimension reduction is closely related to unsupervised learning. Several implications are discussed. On dimension reduction, the result provides new insights to the observed effectiveness of PCA-based data reductions, beyond the conventional noise-reduction explanation that PCA, via singular value decomposition, provides the best low-dimensional linear approximation of the data. On learning, the result suggests effective techniques for K-means data clustering. DNA gene expression and Internet newsgroups are analyzed to illustrate our results. Experiments indicate that the new bounds are within 0.5-1.5% of the optimal values.

We present several new variations on the theme of nonnegative matrix factorization (NMF). Considering factorizations of the form X=FG(T), we focus on algorithms in which G is restricted to containing nonnegative entries, but allowing the data matrix X to have mixed signs, thus extending the applicable range of NMF methods. We also consider algorithms in which the basis vectors of F are constrained to be convex combinations of the data points. This is used for a kernel extension of NMF. We provide algorithms for computing these new factorizations and we provide supporting theoretical analysis. We also analyze the relationships between our algorithms and clustering algorithms, and consider the implications for sparseness of solutions. Finally, we present experimental results that explore the properties of these new methods.

Currently, most research on nonnegative matrix factorization (NMF)focus on 2-factor $X=FG^T$ factorization. We provide a systematicanalysis of 3-factor $X=FSG^T$ NMF. While it unconstrained 3-factor NMF is equivalent to it unconstrained 2-factor NMF, itconstrained 3-factor NMF brings new features to it constrained 2-factor NMF. We study the orthogonality constraint because it leadsto rigorous clustering interpretation. We provide new rules for updating $F,S, G$ and prove the convergenceof these algorithms. Experiments on 5 datasets and a real world casestudy are performed to show the capability of bi-orthogonal 3-factorNMF on simultaneously clustering rows and columns of the input datamatrix. We provide a new approach of evaluating the quality ofclustering on words using class aggregate distribution andmulti-peak distribution. We also provide an overview of various NMF extensions andexamine their relationships.