Lably
Skip to content

Matrix calculus

Specialized notation for multivariable calculus

  • 17 min read
  • 7 chapters

Related on Lably

Through Mathematics, Matrix (mathematics) and Function (mathematics)

Two competing notational conventions split the field of matrix calculus into two separate groups. The two groups can be distinguished by whether they write the derivative of a scalar with respect to a vector as a column vector or a row vector. Both of these conventions are possible even when the common assumption is made that vectors should be treated as column vectors when combined with matrices (rather than row vectors). A single convention can be somewhat standard throughout a single field that commonly uses matrix calculus (e.g. econometrics, statistics, estimation theory and machine learning). However, even within a given field different authors can be found using competing conventions. Authors of both groups often write as though their specific conventions were standard. Serious mistakes can result when combining results from different authors without carefully verifying that compatible notations have been used. Definitions of these two conventions and comparisons between them are collected in the layout conventions section.

Scope

Matrix calculus refers to a number of different notations that use matrices and vectors to collect the derivative of each component of the dependent variable with respect to each component of the independent variable. In general, the independent variable can be a scalar, a vector, or a matrix while the dependent variable can be any of these as well. Each different situation will lead to a different set of rules, or a separate calculus, using the broader sense of the term. Matrix notation serves as a convenient way to collect the many derivatives in an organized way.

As a first example, consider the gradient from vector calculus. For a scalar function of three independent variables, f(x1,x2,x3), the gradient is given by the vector equation

∇f=∂f∂x1x^1+∂f∂x2x^2+∂f∂x3x^3,

where x^i represents a unit vector in the xi direction for 1≤i≤3. This type of generalized derivative can be seen as the derivative of a scalar, f, with respect to a vector, x, and its result can be easily collected in vector form.

∇f=(∂f∂x)T=[∂f∂x1∂f∂x2∂f∂x3]T.

More complicated examples include the derivative of a scalar function with respect to a matrix, known as the gradient matrix, which collects the derivative with respect to each matrix element in the corresponding position in the resulting matrix. In that case the scalar must be a function of each of the independent variables in the matrix. As another example, if we have an n-vector of dependent variables, or functions, of m independent variables we might consider the derivative of the dependent vector with respect to the independent vector. The result could be collected in an m×n matrix consisting of all of the possible derivative combinations.

There are a total of nine possibilities using scalars, vectors, and matrices. Notice that as we consider higher numbers of components in each of the independent and dependent variables we can be left with a very large number of possibilities. The six kinds of derivatives that can be most neatly organized in matrix form are collected in the following table.

Here, we have used the term "matrix" in its most general sense, recognizing that vectors are simply matrices with one column (and scalars are simply vectors with one row). Moreover, we have used bold letters to indicate vectors and bold capital letters for matrices. This notation is used throughout.

Notice that we could also talk about the derivative of a vector with respect to a matrix, or any of the other unfilled cells in our table. However, these derivatives are most naturally organized in a tensor of rank higher than 2, so that they do not fit neatly into a matrix. In the following three sections we will define each one of these derivatives and relate them to other branches of mathematics. See the layout conventions section for a more detailed table.

Relation to other derivatives

The matrix derivative is a convenient notation for keeping track of partial derivatives for doing calculations. The Fréchet derivative is the standard way in the setting of functional analysis to take derivatives with respect to vectors. In the case that a matrix function of a matrix is Fréchet differentiable, the two derivatives will agree up to translation of notations. As is the case in general for partial derivatives, some formulae may extend under weaker analytic conditions than the existence of the derivative as approximating linear mapping.

Usages

Matrix calculus is used for deriving optimal stochastic estimators, often involving the use of Lagrange multipliers. This includes the derivation of:

Sign in to keep reading

6 more chapters are free with a Lably account.

More in Calculus and analysis