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Introduction to Linear Bialgebra
View metadata, citation and similar papers at core.ac.uk brought to you by CORE provided by University of New Mexico University of New Mexico UNM Digital Repository Mathematics and Statistics Faculty and Staff Publications Academic Department Resources 2005 INTRODUCTION TO LINEAR BIALGEBRA Florentin Smarandache University of New Mexico, [email protected] W.B. Vasantha Kandasamy K. Ilanthenral Follow this and additional works at: https://digitalrepository.unm.edu/math_fsp Part of the Algebra Commons, Analysis Commons, Discrete Mathematics and Combinatorics Commons, and the Other Mathematics Commons Recommended Citation Smarandache, Florentin; W.B. Vasantha Kandasamy; and K. Ilanthenral. "INTRODUCTION TO LINEAR BIALGEBRA." (2005). https://digitalrepository.unm.edu/math_fsp/232 This Book is brought to you for free and open access by the Academic Department Resources at UNM Digital Repository. It has been accepted for inclusion in Mathematics and Statistics Faculty and Staff Publications by an authorized administrator of UNM Digital Repository. For more information, please contact [email protected], [email protected], [email protected]. INTRODUCTION TO LINEAR BIALGEBRA W. B. Vasantha Kandasamy Department of Mathematics Indian Institute of Technology, Madras Chennai – 600036, India e-mail: [email protected] web: http://mat.iitm.ac.in/~wbv Florentin Smarandache Department of Mathematics University of New Mexico Gallup, NM 87301, USA e-mail: [email protected] K. Ilanthenral Editor, Maths Tiger, Quarterly Journal Flat No.11, Mayura Park, 16, Kazhikundram Main Road, Tharamani, Chennai – 600 113, India e-mail: [email protected] HEXIS Phoenix, Arizona 2005 1 This book can be ordered in a paper bound reprint from: Books on Demand ProQuest Information & Learning (University of Microfilm International) 300 N. -
21. Orthonormal Bases
21. Orthonormal Bases The canonical/standard basis 011 001 001 B C B C B C B0C B1C B0C e1 = B.C ; e2 = B.C ; : : : ; en = B.C B.C B.C B.C @.A @.A @.A 0 0 1 has many useful properties. • Each of the standard basis vectors has unit length: q p T jjeijj = ei ei = ei ei = 1: • The standard basis vectors are orthogonal (in other words, at right angles or perpendicular). T ei ej = ei ej = 0 when i 6= j This is summarized by ( 1 i = j eT e = δ = ; i j ij 0 i 6= j where δij is the Kronecker delta. Notice that the Kronecker delta gives the entries of the identity matrix. Given column vectors v and w, we have seen that the dot product v w is the same as the matrix multiplication vT w. This is the inner product on n T R . We can also form the outer product vw , which gives a square matrix. 1 The outer product on the standard basis vectors is interesting. Set T Π1 = e1e1 011 B C B0C = B.C 1 0 ::: 0 B.C @.A 0 01 0 ::: 01 B C B0 0 ::: 0C = B. .C B. .C @. .A 0 0 ::: 0 . T Πn = enen 001 B C B0C = B.C 0 0 ::: 1 B.C @.A 1 00 0 ::: 01 B C B0 0 ::: 0C = B. .C B. .C @. .A 0 0 ::: 1 In short, Πi is the diagonal square matrix with a 1 in the ith diagonal position and zeros everywhere else. -
Linear Algebra for Dummies
Linear Algebra for Dummies Jorge A. Menendez October 6, 2017 Contents 1 Matrices and Vectors1 2 Matrix Multiplication2 3 Matrix Inverse, Pseudo-inverse4 4 Outer products 5 5 Inner Products 5 6 Example: Linear Regression7 7 Eigenstuff 8 8 Example: Covariance Matrices 11 9 Example: PCA 12 10 Useful resources 12 1 Matrices and Vectors An m × n matrix is simply an array of numbers: 2 3 a11 a12 : : : a1n 6 a21 a22 : : : a2n 7 A = 6 7 6 . 7 4 . 5 am1 am2 : : : amn where we define the indexing Aij = aij to designate the component in the ith row and jth column of A. The transpose of a matrix is obtained by flipping the rows with the columns: 2 3 a11 a21 : : : an1 6 a12 a22 : : : an2 7 AT = 6 7 6 . 7 4 . 5 a1m a2m : : : anm T which evidently is now an n × m matrix, with components Aij = Aji = aji. In other words, the transpose is obtained by simply flipping the row and column indeces. One particularly important matrix is called the identity matrix, which is composed of 1’s on the diagonal and 0’s everywhere else: 21 0 ::: 03 60 1 ::: 07 6 7 6. .. .7 4. .5 0 0 ::: 1 1 It is called the identity matrix because the product of any matrix with the identity matrix is identical to itself: AI = A In other words, I is the equivalent of the number 1 for matrices. For our purposes, a vector can simply be thought of as a matrix with one column1: 2 3 a1 6a2 7 a = 6 7 6 . -
Exercise 1 Advanced Sdps Matrices and Vectors
Exercise 1 Advanced SDPs Matrices and vectors: All these are very important facts that we will use repeatedly, and should be internalized. • Inner product and outer products. Let u = (u1; : : : ; un) and v = (v1; : : : ; vn) be vectors in n T Pn R . Then u v = hu; vi = i=1 uivi is the inner product of u and v. T The outer product uv is an n × n rank 1 matrix B with entries Bij = uivj. The matrix B is a very useful operator. Suppose v is a unit vector. Then, B sends v to u i.e. Bv = uvT v = u, but Bw = 0 for all w 2 v?. m×n n×p • Matrix Product. For any two matrices A 2 R and B 2 R , the standard matrix Pn product C = AB is the m × p matrix with entries cij = k=1 aikbkj. Here are two very useful ways to view this. T Inner products: Let ri be the i-th row of A, or equivalently the i-th column of A , the T transpose of A. Let bj denote the j-th column of B. Then cij = ri cj is the dot product of i-column of AT and j-th column of B. Sums of outer products: C can also be expressed as outer products of columns of A and rows of B. Pn T Exercise: Show that C = k=1 akbk where ak is the k-th column of A and bk is the k-th row of B (or equivalently the k-column of BT ). -
Things You Need to Know About Linear Algebra Math 131 Multivariate
the standard (x; y; z) coordinate three-space. Nota- tions for vectors. Geometric interpretation as vec- tors as displacements as well as vectors as points. Vector addition, the zero vector 0, vector subtrac- Things you need to know about tion, scalar multiplication, their properties, and linear algebra their geometric interpretation. Math 131 Multivariate Calculus We start using these concepts right away. In D Joyce, Spring 2014 chapter 2, we'll begin our study of vector-valued functions, and we'll use the coordinates, vector no- The relation between linear algebra and mul- tation, and the rest of the topics reviewed in this tivariate calculus. We'll spend the first few section. meetings reviewing linear algebra. We'll look at just about everything in chapter 1. Section 1.2. Vectors and equations in R3. Stan- Linear algebra is the study of linear trans- dard basis vectors i; j; k in R3. Parametric equa- formations (also called linear functions) from n- tions for lines. Symmetric form equations for a line dimensional space to m-dimensional space, where in R3. Parametric equations for curves x : R ! R2 m is usually equal to n, and that's often 2 or 3. in the plane, where x(t) = (x(t); y(t)). A linear transformation f : Rn ! Rm is one that We'll use standard basis vectors throughout the preserves addition and scalar multiplication, that course, beginning with chapter 2. We'll study tan- is, f(a + b) = f(a) + f(b), and f(ca) = cf(a). We'll gent lines of curves and tangent planes of surfaces generally use bold face for vectors and for vector- in that chapter and throughout the course. -
Schaum's Outline of Linear Algebra (4Th Edition)
SCHAUM’S SCHAUM’S outlines outlines Linear Algebra Fourth Edition Seymour Lipschutz, Ph.D. Temple University Marc Lars Lipson, Ph.D. University of Virginia Schaum’s Outline Series New York Chicago San Francisco Lisbon London Madrid Mexico City Milan New Delhi San Juan Seoul Singapore Sydney Toronto Copyright © 2009, 2001, 1991, 1968 by The McGraw-Hill Companies, Inc. All rights reserved. Except as permitted under the United States Copyright Act of 1976, no part of this publication may be reproduced or distributed in any form or by any means, or stored in a database or retrieval system, without the prior writ- ten permission of the publisher. ISBN: 978-0-07-154353-8 MHID: 0-07-154353-8 The material in this eBook also appears in the print version of this title: ISBN: 978-0-07-154352-1, MHID: 0-07-154352-X. All trademarks are trademarks of their respective owners. Rather than put a trademark symbol after every occurrence of a trademarked name, we use names in an editorial fashion only, and to the benefit of the trademark owner, with no intention of infringement of the trademark. Where such designations appear in this book, they have been printed with initial caps. McGraw-Hill eBooks are available at special quantity discounts to use as premiums and sales promotions, or for use in corporate training programs. To contact a representative please e-mail us at [email protected]. TERMS OF USE This is a copyrighted work and The McGraw-Hill Companies, Inc. (“McGraw-Hill”) and its licensors reserve all rights in and to the work. -
SUPPLEMENTARY MATERIAL: I. Fitting of the Hessian Matrix
Supplementary Material (ESI) for PCCP This journal is © the Owner Societies 2010 1 SUPPLEMENTARY MATERIAL: I. Fitting of the Hessian matrix In the fitting of the Hessian matrix elements as functions of the reaction coordinate, one can take advantage of symmetry. The non-diagonal elements may be written in the form of numerical derivatives as E(Δα, Δβ ) − E(Δα,−Δβ ) − E(−Δα, Δβ ) + E(−Δα,−Δβ ) H (α, β ) = . (S1) 4δ 2 Here, α and β label any of the 15 atomic coordinates in {Cx, Cy, …, H4z}, E(Δα,Δβ) denotes the DFT energy of CH4 interacting with Ni(111) with a small displacement along α and β, and δ the small displacement used in the second order differencing. For example, the H(Cx,Cy) (or H(Cy,Cx)) is 0, since E(ΔCx ,ΔC y ) = E(ΔC x ,−ΔC y ) and E(−ΔCx ,ΔC y ) = E(−ΔCx ,−ΔC y ) . From Eq.S1, one can deduce the symmetry properties of H of methane interacting with Ni(111) in a geometry belonging to the Cs symmetry (Fig. 1 in the paper): (1) there are always 18 zero elements in the lower triangle of the Hessian matrix (see Fig. S1), (2) the main block matrices A, B and F (see Fig. S1) can be split up in six 3×3 sub-blocks, namely A1, A2 , B1, B2, F1 and F2, in which the absolute values of all the corresponding elements in the sub-blocks corresponding to each other are numerically identical to each other except for the sign of their off-diagonal elements, (3) the triangular matrices E1 and E2 are also numerically the same except for the sign of their off-diagonal terms, (4) the 1 Supplementary Material (ESI) for PCCP This journal is © the Owner Societies 2010 2 block D is a unique block and its off-diagonal terms differ only from each other in their sign. -
EUCLIDEAN DISTANCE MATRIX COMPLETION PROBLEMS June 6
EUCLIDEAN DISTANCE MATRIX COMPLETION PROBLEMS HAW-REN FANG∗ AND DIANNE P. O’LEARY† June 6, 2010 Abstract. A Euclidean distance matrix is one in which the (i, j) entry specifies the squared distance between particle i and particle j. Given a partially-specified symmetric matrix A with zero diagonal, the Euclidean distance matrix completion problem (EDMCP) is to determine the unspecified entries to make A a Euclidean distance matrix. We survey three different approaches to solving the EDMCP. We advocate expressing the EDMCP as a nonconvex optimization problem using the particle positions as variables and solving using a modified Newton or quasi-Newton method. To avoid local minima, we develop a randomized initial- ization technique that involves a nonlinear version of the classical multidimensional scaling, and a dimensionality relaxation scheme with optional weighting. Our experiments show that the method easily solves the artificial problems introduced by Mor´e and Wu. It also solves the 12 much more difficult protein fragment problems introduced by Hen- drickson, and the 6 larger protein problems introduced by Grooms, Lewis, and Trosset. Key words. distance geometry, Euclidean distance matrices, global optimization, dimensional- ity relaxation, modified Cholesky factorizations, molecular conformation AMS subject classifications. 49M15, 65K05, 90C26, 92E10 1. Introduction. Given the distances between each pair of n particles in Rr, n r, it is easy to determine the relative positions of the particles. In many applications,≥ though, we are given only some of the distances and we would like to determine the missing distances and thus the particle positions. We focus in this paper on algorithms to solve this distance completion problem. -
Determinants Math 122 Calculus III D Joyce, Fall 2012
Determinants Math 122 Calculus III D Joyce, Fall 2012 What they are. A determinant is a value associated to a square array of numbers, that square array being called a square matrix. For example, here are determinants of a general 2 × 2 matrix and a general 3 × 3 matrix. a b = ad − bc: c d a b c d e f = aei + bfg + cdh − ceg − afh − bdi: g h i The determinant of a matrix A is usually denoted jAj or det (A). You can think of the rows of the determinant as being vectors. For the 3×3 matrix above, the vectors are u = (a; b; c), v = (d; e; f), and w = (g; h; i). Then the determinant is a value associated to n vectors in Rn. There's a general definition for n×n determinants. It's a particular signed sum of products of n entries in the matrix where each product is of one entry in each row and column. The two ways you can choose one entry in each row and column of the 2 × 2 matrix give you the two products ad and bc. There are six ways of chosing one entry in each row and column in a 3 × 3 matrix, and generally, there are n! ways in an n × n matrix. Thus, the determinant of a 4 × 4 matrix is the signed sum of 24, which is 4!, terms. In this general definition, half the terms are taken positively and half negatively. In class, we briefly saw how the signs are determined by permutations. -
Removing External Degrees of Freedom from Transition State
Removing External Degrees of Freedom from Transition State Search Methods using Quaternions Marko Melander1,2*, Kari Laasonen1,2, Hannes Jónsson3,4 1) COMP Centre of Excellence, Aalto University, FI-00076 Aalto, Finland 2) Department of Chemistry, Aalto University, FI-00076 Aalto, Finland 3) Department of Applied Physics, Aalto University, FI-00076 Aalto, Finland 4) Faculty of Physical Sciences, University of Iceland, 107 Reykjavík, Iceland 1 ABSTRACT In finite systems, such as nanoparticles and gas-phase molecules, calculations of minimum energy paths (MEP) connecting initial and final states of transitions as well as searches for saddle points are complicated by the presence of external degrees of freedom, such as overall translation and rotation. A method based on quaternion algebra for removing the external degrees of freedom is described here and applied in calculations using two commonly used methods: the nudged elastic band (NEB) method for finding minimum energy paths and DIMER method for finding the minimum mode in minimum mode following searches of first order saddle points. With the quaternion approach, fewer images in the NEB are needed to represent MEPs accurately. In both NEB and DIMER calculations of finite systems, the number of iterations required to reach convergence is significantly reduced. The algorithms have been implemented in the Atomic Simulation Environment (ASE) open source software. Keywords: Nudged Elastic Band, DIMER, quaternion, saddle point, transition. 2 1. INTRODUCTION Chemical reactions, diffusion events and configurational changes of molecules are transitions from some initial arrangement of the atoms to another, from an initial state minimum on the energy surface to a final state minimum. -
Linear Algebra Review James Chuang
Linear algebra review James Chuang December 15, 2016 Contents 2.1 vector-vector products ............................................... 1 2.2 matrix-vector products ............................................... 2 2.3 matrix-matrix products ............................................... 4 3.2 the transpose .................................................... 5 3.3 symmetric matrices ................................................. 5 3.4 the trace ....................................................... 6 3.5 norms ........................................................ 6 3.6 linear independence and rank ............................................ 7 3.7 the inverse ...................................................... 7 3.8 orthogonal matrices ................................................. 8 3.9 range and nullspace of a matrix ........................................... 8 3.10 the determinant ................................................... 9 3.11 quadratic forms and positive semidefinite matrices ................................ 10 3.12 eigenvalues and eigenvectors ........................................... 11 3.13 eigenvalues and eigenvectors of symmetric matrices ............................... 12 4.1 the gradient ..................................................... 13 4.2 the Hessian ..................................................... 14 4.3 gradients and hessians of linear and quadratic functions ............................. 15 4.5 gradients of the determinant ............................................ 16 4.6 eigenvalues -
Math 2331 – Linear Algebra 6.2 Orthogonal Sets
6.2 Orthogonal Sets Math 2331 { Linear Algebra 6.2 Orthogonal Sets Jiwen He Department of Mathematics, University of Houston [email protected] math.uh.edu/∼jiwenhe/math2331 Jiwen He, University of Houston Math 2331, Linear Algebra 1 / 12 6.2 Orthogonal Sets Orthogonal Sets Basis Projection Orthonormal Matrix 6.2 Orthogonal Sets Orthogonal Sets: Examples Orthogonal Sets: Theorem Orthogonal Basis: Examples Orthogonal Basis: Theorem Orthogonal Projections Orthonormal Sets Orthonormal Matrix: Examples Orthonormal Matrix: Theorems Jiwen He, University of Houston Math 2331, Linear Algebra 2 / 12 6.2 Orthogonal Sets Orthogonal Sets Basis Projection Orthonormal Matrix Orthogonal Sets Orthogonal Sets n A set of vectors fu1; u2;:::; upg in R is called an orthogonal set if ui · uj = 0 whenever i 6= j. Example 82 3 2 3 2 39 < 1 1 0 = Is 4 −1 5 ; 4 1 5 ; 4 0 5 an orthogonal set? : 0 0 1 ; Solution: Label the vectors u1; u2; and u3 respectively. Then u1 · u2 = u1 · u3 = u2 · u3 = Therefore, fu1; u2; u3g is an orthogonal set. Jiwen He, University of Houston Math 2331, Linear Algebra 3 / 12 6.2 Orthogonal Sets Orthogonal Sets Basis Projection Orthonormal Matrix Orthogonal Sets: Theorem Theorem (4) Suppose S = fu1; u2;:::; upg is an orthogonal set of nonzero n vectors in R and W =spanfu1; u2;:::; upg. Then S is a linearly independent set and is therefore a basis for W . Partial Proof: Suppose c1u1 + c2u2 + ··· + cpup = 0 (c1u1 + c2u2 + ··· + cpup) · = 0· (c1u1) · u1 + (c2u2) · u1 + ··· + (cpup) · u1 = 0 c1 (u1 · u1) + c2 (u2 · u1) + ··· + cp (up · u1) = 0 c1 (u1 · u1) = 0 Since u1 6= 0, u1 · u1 > 0 which means c1 = : In a similar manner, c2,:::,cp can be shown to by all 0.