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Spectral Graph Theory

8 8. Eigenvalues of subgraphs with boundary conditions

In a graph \(G\), for a subset \(S\) of the vertex set \(V=V(G)\), the induced subgraph determined by \(S\) has edge set consisting of all edges of \(G\) with both endpoints in \(S\). Although an induced subgraph can also be viewed as a graph in its own right, it is natural to consider it as having a boundary. There are two types of boundaries. The vertex boundary \(\delta S\) consists of all vertices not in \(S\) but adjacent to some vertex in \(S\); the edge boundary \(\partial S\) consists of all edges with exactly one endpoint in \(S\). For an induced subgraph with non-empty boundary there are, in general, two kinds of eigenvalues subject to different boundary conditions: the Neumann eigenvalues and the Dirichlet eigenvalues. Throughout, \(d_x\) denotes the degree of \(x\) in the host graph \(G\) (independent of \(S\)), \(\mathrm{vol}\, S=\sum _{x\in S}d_x\), and for a vertex \(x\) we write \(d'_x\) for the number of neighbors of \(x\) that lie in \(S\).

Lemma 309 Rayleigh / Courant–Fischer min–max principle
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Let \(M\) be a real symmetric \(n\times n\) matrix with eigenvalues \(\mu _1\le \cdots \le \mu _n\). Then for \(1\le k\le n\),

\[ \mu _k=\min _{\substack {U\subseteq \mathbb {R}^n\\ \dim U=k}}\ \max _{0\ne x\in U} \frac{\langle x,Mx\rangle }{\langle x,x\rangle } =\max _{\substack {U\subseteq \mathbb {R}^n\\ \dim U=n-k+1}}\ \min _{0\ne x\in U} \frac{\langle x,Mx\rangle }{\langle x,x\rangle }. \]

In particular the stationary values of a Rayleigh quotient are exactly the eigenvalues of \(M\), and eigenfunctions are the corresponding stationary vectors.

Lemma 310 Cauchy–Schwarz inequality
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For real numbers \(a_1,\dots ,a_m\) and \(b_1,\dots ,b_m\), \(\bigl(\sum _i a_ib_i\bigr)^2\le \bigl(\sum _i a_i^2\bigr)\bigl(\sum _i b_i^2\bigr)\). In particular \(\bigl(\sum _{i=1}^m a_i\bigr)^2\le m\sum _{i=1}^m a_i^2\).

Lemma 311 Gaussian integral
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For \(a{\gt}0\), \(\int _{-\infty }^{\infty }e^{-a x^2}\, dx=\sqrt{\pi /a}\).

Lemma 312 Cauchy–Binet formula
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Let \(B\) be an \(m\times N\) real matrix (\(m\le N\)). Then \(\det (BB^{*})=\sum _{X}\det B_X\, \det B_X^{*}\), where \(X\) ranges over all sets of \(m\) columns of \(B\) and \(B_X\) is the \(m\times m\) submatrix on those columns.

Definition 313 Neumann boundary condition, s8.1

A function \(f:S\cup \delta S\to \mathbb {R}\) satisfies the Neumann boundary condition if for every \(x\in \delta S\)

\[ \sum _{\substack {y\in S\\ y\sim x}}\bigl(f(x)-f(y)\bigr)=0, \]

equivalently \(f(x)=\dfrac {1}{d’_x}\sum _{\substack {y\in S\\ y\sim x}}f(y)\), i.e. the value at each boundary vertex is the average of its values over its neighbors in \(S\).

Definition 314 Dirichlet boundary condition, s8.1

A function \(f:V\to \mathbb {R}\) satisfies the Dirichlet boundary condition for \(S\) if \(f(x)=0\) for every vertex \(x\in \delta S\). We write \(f\in D^{*}\) to denote that \(f\) satisfies this condition.

Definition 315 Edge set \(S^{*}\), s8.2

Let \(S^{*}\) denote the set of edges consisting of all edges of \(G\) with both endpoints in \(S\) together with all edges of the edge boundary \(\partial S\) (edges with exactly one endpoint in \(S\)).

Definition 316 Neumann eigenvalues of a subgraph, (8.3)

The Neumann eigenvalue of an induced subgraph \(S\) is

\[ \lambda _S=\inf _{\substack {f\ne 0\\ \sum _{x\in S}f(x)d_x=0}} \frac{\displaystyle \sum _{\{ x,y\} \in S^{*}}\bigl(f(x)-f(y)\bigr)^2}{\displaystyle \sum _{x\in S}f^2(x)\, d_x} =\inf _{f\ne 0}\ \sup _{c} \frac{\displaystyle \sum _{\{ x,y\} \in S^{*}}\bigl(f(x)-f(y)\bigr)^2}{\displaystyle \sum _{x\in S}\bigl(f(x)-c\bigr)^2 d_x}, \]

where \(f\) ranges over functions \(S\cup \delta S\to \mathbb {R}\). More generally the \(i\)-th Neumann eigenvalue is

\[ \lambda _{S,i}=\inf _{\substack {f\ne 0\\ f’\in C_{i-1}}}\ \sup \frac{\displaystyle \sum _{\{ x,y\} \in S^{*}}\bigl(f(x)-f(y)\bigr)^2}{\displaystyle \sum _{x\in S}\bigl(f(x)-f'(x)\bigr)^2 d_x}, \]

where \(C_k\) is the subspace spanned by functions \(\phi _j\) achieving \(\lambda _{S,j}\) for \(0\le j\le k\). One has \(\lambda _{S,0}=0\) and \(\lambda _{S,1}=\lambda _S\).

Lemma 317 Lemma 8.1: Neumann eigenfunction properties

Let \(f:S\cup \delta S\to \mathbb {R}\) satisfy (8.3) with eigenvalue \(\lambda \). Then:

  • for \(x\in S\),  \(\displaystyle \mathcal{L}f(x):=\sum _{\substack {y\\ \{ x,y\} \in S^{*}}}\bigl(f(x)-f(y)\bigr)=\lambda f(x)\, d_x\);

  • for \(x\in \delta S\),  \(\displaystyle \sum _{\substack {y\\ \{ x,y\} \in \partial S}}\bigl(f(x)-f(y)\bigr)=0\), i.e. \(f\) satisfies the Neumann condition \(f(x)=\dfrac {1}{d’_x}\sum _{\{ x,y\} \in \partial S}f(y)\);

  • for any function \(h:S\cup \delta S\to \mathbb {R}\),  \(\displaystyle \sum _{x\in S}h(x)\, \mathcal{L}f(x) =\sum _{\{ x,y\} \in S^{*}}\bigl(h(x)-h(y)\bigr)\bigl(f(x)-f(y)\bigr)\).

Proof

Parts (a) and (b) follow from the variational principle (Lemma 309): \(f\) is a stationary point of the Rayleigh quotient in (8.3). Setting \(\partial /\partial f(x)=0\) at an interior vertex \(x\in S\) (which appears both in the numerator through the edges of \(S^{*}\) incident to \(x\) and in the denominator with weight \(d_x\)) yields \(\sum _{y:\{ x,y\} \in S^{*}}(f(x)-f(y))=\lambda f(x)d_x\), which is (a). A vertex \(x\in \delta S\) appears only in the numerator (it carries no denominator weight); setting \(\partial /\partial f(x)=0\) gives \(\sum _{y:\{ x,y\} \in \partial S}(f(x)-f(y))=0\), which is (b); dividing by \(d'_x\) and solving for \(f(x)\) gives the averaging form.

For (c), sum \(\mathcal{L}f\) against \(h\) over \(S\) and reorganize by edges. Writing \(\widetilde{\mathcal L}f(x)=\sum _{y:\{ x,y\} \in S^{*}}(f(x)-f(y))\) for all \(x\in S\cup \delta S\), we have

\[ \sum _{\{ x,y\} \in S^{*}}\bigl(h(x)-h(y)\bigr)\bigl(f(x)-f(y)\bigr) =\sum _{x\in S\cup \delta S}h(x)\, \widetilde{\mathcal L}f(x), \]

since each edge \(\{ x,y\} \in S^{*}\) contributes \(h(x)(f(x)-f(y))+h(y)(f(y)-f(x))\). Splitting the right side over \(x\in S\) and \(x\in \delta S\), the terms with \(x\in \delta S\) vanish by part (b), while for \(x\in S\) we have \(\widetilde{\mathcal L}f(x)=\mathcal Lf(x)\). Hence the right side equals \(\sum _{x\in S}h(x)\mathcal Lf(x)\), proving (c).

Using Lemma 317 and (8.3), the Neumann eigenvalue can be rewritten in operator form

\begin{equation*} \lambda _S=\inf _{\substack {f\\ \begin{bgroup} \sum _x f(x)d_x=0 \end{bgroup}}} \frac{\sum _{x\in S}f(x)\mathcal Lf(x)}{\sum _{x\in S}f^2(x)d_x} =\inf _{g\perp T^{1/2}\mathbf1}\frac{\langle g,\mathcal Lg\rangle _S}{\langle g,g\rangle _S}, \tag {8.4} \end{equation*}

where \(\mathcal L\) is the (normalized) Laplacian of the host graph, \(g=T^{1/2}f\), \(T=\mathrm{diag}(d_x)\), and \(\langle f_1,f_2\rangle _S=\sum _{x\in S}f_1(x)f_2(x)\).

Definition 318 Neumann matrix \(\mathcal N_S\), s8.2

For \(X\subseteq V\) let \(L_X\) denote the principal submatrix of the normalized Laplacian \(\mathcal L\) on rows and columns indexed by \(X\). Let \(N\) be the matrix with rows indexed by \(S\cup \delta S\) and columns indexed by \(S\) defined by

\[ N(x,y)= \begin{cases} 1 & \text{if }x=y,\\ 0 & \text{if }x\in S,\ x\ne y,\\ 1/d’_x & \text{if }x\in \delta S,\ y\in S,\ x\sim y,\\ 0 & \text{otherwise.} \end{cases} \]

Thus \(N\) extends a function \(f\) on \(S\) to \(S\cup \delta S\) by the Neumann averaging rule. Define the \(|S|\times |S|\) matrix \(\mathcal N_S=T^{-1/2}N^{*}L_{S\cup \delta S}NT^{-1/2}\), where \(N^{*}\) is the transpose of \(N\).

The eigenvalues of \(\mathcal N_S\) are exactly the Neumann eigenvalues \(\lambda _{S,i}\). Moreover \(\mathcal N_S\) has \(0\) as an eigenvalue, and if \(S\) is connected it has exactly \(|S|-1\) positive eigenvalues.

Proof

For \(g:S\to \mathbb {R}\) let \(u=NT^{-1/2}g\) be its Neumann extension to \(S\cup \delta S\). By construction \(u\) satisfies the Neumann condition on \(\delta S\), so by Lemma 317(c) the quadratic form \(\langle u,L_{S\cup \delta S}u\rangle =\sum _{\{ x,y\} \in S^{*}}(f(x)-f(y))^2\) with \(f=T^{-1/2}u|_S\) agrees with the numerator of (8.3). Hence

\[ \frac{\langle g,\mathcal N_S g\rangle }{\langle g,g\rangle } =\frac{\langle NT^{-1/2}g,\ L_{S\cup \delta S}\, NT^{-1/2}g\rangle }{\langle g,g\rangle } =\frac{\sum _{\{ x,y\} \in S^{*}}(f(x)-f(y))^2}{\sum _{x\in S}f^2(x)d_x}, \]

which is precisely the Rayleigh quotient of (8.3)/(8.4). By the min–max principle (Lemma 309) applied to the symmetric matrix \(\mathcal N_S\), its ordered eigenvalues equal the successive infima \(\lambda _{S,i}\). The constant function \(f\equiv 1\) gives a zero of the numerator, so \(g_0=T^{1/2}\mathbf1|_S\) satisfies \(\mathcal N_S g_0=0\), giving eigenvalue \(0\). If \(S\) is connected, the numerator \(\sum _{\{ x,y\} \in S^{*}}(f(x)-f(y))^2\) vanishes only for \(f\) constant on \(S\) (and its Neumann extension), so the \(0\)-eigenspace is one-dimensional and the remaining \(|S|-1\) eigenvalues are positive.

Definition 320 Neumann random walk, (8.5)

For an induced subgraph \(S\) of \(G\), the Neumann random walk on \(S\) has transition matrix \(P\) (rows and columns indexed by \(S\)) acting by

\[ fP(v)=\sum _{\substack {u\in S\\ u\sim v}}\frac{1}{d_u}f(u) +\sum _{\substack {u\in S,\ z\notin S\\ u\sim z\sim v}}\frac{1}{d_u\, d'_z}f(u). \]

From a vertex it moves to each neighbor in \(S\) with probability \(1/(\text{degree})\); if it selects a neighbor \(z\notin S\), it “reflects” from \(z\) to each neighbor of \(z\) in \(S\) with the additional probability \(1/(d_u d'_z)\), where \(d'_z\) is the number of neighbors of \(z\) in \(S\). The stationary distribution is \(\pi (v)=d_v/\sum _{u\in S}d_u=d_v/\mathrm{vol}\, S\). Its eigenvalues are denoted \(\rho _0=1\ge \rho _1\ge \cdots \), and \(\rho :=\rho _1\).

Lemma 321 Boundary reflection identity

Let \(z\) have \(d'_z\ge 1\) neighbors in \(S\), and let \(f\) be extended to \(z\) by the Neumann rule \(f(z)=\frac{1}{d'_z}\sum _{y\sim z,\, y\in S}f(y)\). Then

\[ \sum _{\substack {x\sim z\\ x\in S}}\bigl(f(x)-f(z)\bigr)^2 =\sum _{\substack {x\sim z\\ x\in S}}f^2(x)-d'_z\, f^2(z). \]
Proof

Expanding, \(\sum _{x\sim z}(f(x)-f(z))^2=\sum _{x\sim z}f^2(x)-2f(z)\sum _{x\sim z}f(x)+d'_z f^2(z)\). By the Neumann rule \(\sum _{x\sim z,\, x\in S}f(x)=d'_z f(z)\), so the middle term is \(-2d'_z f^2(z)\) and the total is \(\sum _{x\sim z}f^2(x)-d'_z f^2(z)\).

The eigenvalues \(\rho _i\) of the Neumann random-walk transition matrix \(P\) are related to the Neumann eigenvalues by \(\rho _i=1-\lambda _{S,i}\). In particular \(\rho =\rho _1=1-\lambda _{S,1}=1-\lambda _S\).

Proof

The walk \(P\) is reversible with respect to \(\pi (x)=d_x/\mathrm{vol}\, S\), so \(I-P\) is self-adjoint on \(\ell ^2(S,\pi )\) and its eigenvalues are \(1-\rho _i\); by the min–max principle (Lemma 309),

\[ 1-\rho _i \ \text{are the ordered stationary values of}\quad \frac{\mathcal E(f,f)}{\langle f,f\rangle _\pi },\qquad \mathcal E(f,f)=\tfrac 12\sum _{x,v\in S}\pi (x)P(x,v)\bigl(f(x)-f(v)\bigr)^2 . \]

Extend \(f\) from \(S\) to \(\delta S\) by the Neumann rule \(f(z)=\frac1{d'_z}\sum _{y\sim z,\, y\in S}f(y)\). Using the two contributions of \(P\),

\[ \mathcal E(f,f)=\frac{1}{2\, \mathrm{vol}\, S} \Bigl[\sum _{\substack {x\sim v\\ x,v\in S}}\! (f(x)-f(v))^2 +\sum _{z\notin S}\frac{1}{d'_z}\sum _{\substack {x,v\sim z\\ x,v\in S}}\! (f(x)-f(v))^2\Bigr]. \]

The first bracketed sum (over ordered pairs) equals \(2\sum _{\{ x,y\} \subseteq S}(f(x)-f(y))^2\). For each \(z\), the reflection sum equals \(\frac1{d'_z}\cdot 2\bigl[d'_z\sum _{x\sim z}f^2(x)-(\sum _{x\sim z}f(x))^2\bigr] =2\bigl[\sum _{x\sim z}f^2(x)-d'_z f^2(z)\bigr]\), where we used \(\sum _{x\sim z}f(x)=d'_z f(z)\); by Lemma 321 this equals \(2\sum _{x\sim z,\, x\in S}(f(x)-f(z))^2\), i.e. twice the sum over the boundary edges \(\{ x,z\} \in \partial S\). Therefore

\[ \mathcal E(f,f)=\frac{1}{\mathrm{vol}\, S}\sum _{\{ x,y\} \in S^{*}}\bigl(f(x)-f(y)\bigr)^2, \qquad \langle f,f\rangle _\pi =\frac{1}{\mathrm{vol}\, S}\sum _{x\in S}f^2(x)d_x, \]

so the Rayleigh quotient of \(I-P\) equals exactly the Neumann Rayleigh quotient of (8.3). Matching the min–max characterizations of the two symmetric operators gives \(1-\rho _i=\lambda _{S,i}\), i.e. \(\rho _i=1-\lambda _{S,i}\). (If one does not extend \(f\) harmonically, applying the Cauchy–Schwarz inequality \((\sum _{y\sim z}f(y))^2\le d'_z\sum _{y\sim z}f^2(y)\) (Lemma 310) to the reflection term reproduces the book’s chain of inequalities \(1-\rho \ge \cdots \ge \lambda _S\).)

Definition 323 Dirichlet eigenvalues of a subgraph, (8.7)

Let \(S\subseteq V\) with \(\delta S\ne \emptyset \). The Dirichlet eigenvalues of the induced subgraph on \(S\) are defined for functions in \(D^{*}\) (satisfying \(f(x)=0\) for \(x\in \delta S\)) by

\[ \lambda _1^{(D)} =\inf _{\substack {f\ne 0\\ f\in D^{*}}} \frac{\sum _{\{ x,y\} \in S^{*}}(f(x)-f(y))^2}{\sum _{x\in S}f^2(x)d_x} =\inf _{\substack {g\ne 0\\ g\in D^{*}}} \frac{\sum _{\{ x,y\} \in S^{*}}\bigl(\frac{g(x)}{\sqrt{d_x}}-\frac{g(y)}{\sqrt{d_y}}\bigr)^2}{\sum _{x\in S}g^2(x)} =\inf _{\substack {g\ne 0\\ g\in D^{*}}}\frac{\langle g,\mathcal Lg\rangle }{\langle g,g\rangle }, \]

and in general

\[ \lambda _i^{(D)}=\inf _{\substack {f\ne 0\\ f’\in C_{i-1}}}\ \sup \frac{\sum _{\{ x,y\} \in S^{*}}(f(x)-f(y))^2}{\sum _{x\in S}(f(x)-f'(x))^2 d_x}, \]

where \(C_i\) is spanned by the eigenfunctions \(\phi _j\) achieving \(\lambda _j\), \(1\le j\le i\). We write \(\lambda ^{(D)}=\lambda _1^{(D)}\) and index by \(1\le i\le |S|\).

Proposition 324 Bounds on Dirichlet eigenvalues

For a connected induced subgraph \(S\) with \(\partial S\ne \emptyset \),

\[ 0{\lt}\lambda _1^{(D)}\le \frac{|\partial S|}{\mathrm{vol}\, S}\le 1, \qquad \text{and}\qquad 0{\lt}\lambda _i^{(D)}\le 2\quad (1\le i\le |S|). \]
Proof

Upper bound on \(\lambda _1^{(D)}\). Take the test function \(f\equiv 1\) on \(S\) and \(f\equiv 0\) on \(\delta S\); then \(f\in D^{*}\) and \(f\ne 0\). In the numerator only edges of \(\partial S\) contribute (each with \((1-0)^2=1\)) while edges inside \(S\) contribute \(0\), so the numerator is \(|\partial S|\); the denominator is \(\sum _{x\in S}1\cdot d_x=\mathrm{vol}\, S\). Hence \(\lambda _1^{(D)}\le |\partial S|/\mathrm{vol}\, S\). Since each edge of \(\partial S\) contributes exactly one endpoint to the degree sum \(\mathrm{vol}\, S\) and internal edges contribute two, \(\mathrm{vol}\, S\ge |\partial S|\), giving \(|\partial S|/\mathrm{vol}\, S\le 1\).

Positivity. If \(\lambda _1^{(D)}=0\), some nonzero \(f\in D^{*}\) has \(\sum _{\{ x,y\} \in S^{*}}(f(x)-f(y))^2=0\), so \(f\) is constant along every edge of \(S^{*}\). As \(S\) is connected and joined to \(\delta S\) (where \(f=0\)) by the non-empty boundary \(\partial S\), this forces \(f\equiv 0\) on \(S\), a contradiction. Hence \(\lambda _1^{(D)}{\gt}0\), and all \(\lambda _i^{(D)}{\gt}0\).

Upper bound \(\lambda _i^{(D)}\le 2\). For \(f\in D^{*}\), extend \(f\) by \(0\) to all of \(V\); then \(\langle f,\mathcal L_S f\rangle =\langle f,\mathcal Lf\rangle \) where \(\mathcal L\) is the host Laplacian. Since every eigenvalue of \(\mathcal L\) lies in \([0,2]\) (Lemma 30), the Rayleigh quotient \(\langle f,\mathcal Lf\rangle /\langle f,f\rangle \le 2\); taking min–max over \(D^{*}\) gives \(\lambda _i^{(D)}\le 2\).

Lemma 325 Lemma 8.2: Dirichlet eigenfunction properties

Let \(g\) be an eigenfunction of \(\mathcal L\) with Dirichlet eigenvalue \(\lambda \), i.e. \(g:S\to \mathbb R\) satisfies (8.7) and \(g(x)=0\) for \(x\in \delta S\). Then:

  • for \(x\in S\),  \(\displaystyle \mathcal Lg(x)=\frac{1}{\sqrt{d_x}} \sum _{\substack {y\\ \{ x,y\} \in S^{*}}}\Bigl(\frac{g(x)}{\sqrt{d_x}}-\frac{g(y)}{\sqrt{d_y}}\Bigr)=\lambda g(x)\);

  • for any function \(h:V\to \mathbb R\),  \(\displaystyle \sum _{x\in S}h(x)\mathcal Lg(x) =\sum _{\{ x,y\} \in S^{*}}\Bigl(\frac{h(x)}{\sqrt{d_x}}-\frac{h(y)}{\sqrt{d_y}}\Bigr) \Bigl(\frac{g(x)}{\sqrt{d_x}}-\frac{g(y)}{\sqrt{d_y}}\Bigr)\).

Proof

Statement (1) is the stationarity (Euler–Lagrange) condition for the Rayleigh quotient (8.7) and follows from the variational principle (Lemma 309). For (2), expand the edge sum:

\[ \sum _{\{ x,y\} \in S^{*}}\Bigl(\tfrac {h(x)}{\sqrt{d_x}}-\tfrac {h(y)}{\sqrt{d_y}}\Bigr) \Bigl(\tfrac {g(x)}{\sqrt{d_x}}-\tfrac {g(y)}{\sqrt{d_y}}\Bigr) =\sum _{x\in S\cup \delta S}\frac{h(x)}{\sqrt{d_x}} \sum _{\substack {y\\ \{ x,y\} \in S^{*}}}\Bigl(\tfrac {g(x)}{\sqrt{d_x}}-\tfrac {g(y)}{\sqrt{d_y}}\Bigr). \]

The inner sum over \(x\in S\) equals \(\sqrt{d_x}\, \mathcal Lg(x)\) by (1), giving \(\sum _{x\in S}h(x)\mathcal Lg(x)\); the terms with \(x\in \delta S\) carry a factor \(g(x)/\sqrt{d_x}=0\) (Dirichlet condition), hence vanish:

\[ \sum _{x\in S}h(x)\mathcal Lg(x)-\sum _{\{ x,y\} \in S^{*}}(\cdots )(\cdots ) =-\sum _{x\in \delta S}\frac{g(x)}{\sqrt{d_x}}\sum _{\substack {y\\ \{ x,y\} \in \partial S}}\Bigl(\tfrac {h(x)}{\sqrt{d_x}}-\tfrac {h(y)}{\sqrt{d_y}}\Bigr)=0. \]

This proves (2).

Corollary 326 Dirichlet Laplacian submatrix

For \(f:S\to \mathbb R\) with \(f(y)=0\) for \(y\in \delta S\) one has, for all \(x\in S\), \(\mathcal Lf(x)=\mathcal L_S f(x)\), where \(\mathcal L_S\) is the principal submatrix of \(\mathcal L\) on the rows and columns indexed by \(S\). Since \(\delta S\ne \emptyset \), \(\mathcal L_S\) is nonsingular; all its eigenvalues are positive; they are exactly the Dirichlet eigenvalues; and

\[ \det \mathcal L_S=\prod _{i=1}^{|S|}\lambda _i^{(D)}. \]
Proof

By Lemma 325 (with \(g=f\) extended by \(0\) on \(\delta S\)), \(\mathcal Lf(x)=\mathcal L_S f(x)\) for \(x\in S\). Thus the eigenvalue problem (8.7) for \(f\in D^{*}\) is exactly the eigenvalue problem for the symmetric matrix \(\mathcal L_S\), and its eigenvalues are the Dirichlet eigenvalues \(\lambda _i^{(D)}\). By Proposition 324 each \(\lambda _i^{(D)}{\gt}0\), so \(\mathcal L_S\) is positive definite and in particular nonsingular. The determinant is the product of eigenvalues, giving \(\det \mathcal L_S=\prod _i\lambda _i^{(D)}\).

Definition 327 Rooted spanning forest of \(S\), s8.5

Let \(S\) be an induced subgraph with non-empty boundary in \(G\). A rooted spanning forest of \(S\) is a subgraph \(F\) of \(G\) satisfying

  • \(F\) is an acyclic subgraph of \(G\);

  • \(F\) has vertex set \(S\cup \delta S\);

  • each connected component of \(F\) contains exactly one vertex of \(\delta S\).

Lemma 328 Cycle columns are singular

Let \(B\) be the \(|S|\times |E(S^{*})|\) incidence matrix with rows indexed by \(S\) and columns indexed by edges of \(S^{*}\), defined by \(B(x,e)=1/\sqrt{d_x}\) if \(e=\{ x,y\} \) with \(x{\lt}y\), \(B(x,e)=-1/\sqrt{d_x}\) if \(e=\{ x,y\} \) with \(x{\gt}y\), and \(0\) otherwise. If a set \(X\) of \(|S|\) edges is such that the subgraph on \(S\cup \delta S\) with edge set \(X\) contains a cycle, then \(\det B_X=0\).

Proof

The columns of \(B\) indexed by the edges of a cycle are linearly dependent: orient the cycle and take coefficients \(\pm 1\) along it. At each row \(x\in S\) that lies on the cycle there are exactly two incident cycle-edges, whose entries \(\pm 1/\sqrt{d_x}\) cancel; vertices of \(\delta S\) index no rows, so they impose no constraint. Hence a nontrivial combination of the cycle columns is \(0\), making the square submatrix \(B_X\) singular, so \(\det B_X=0\).

Lemma 329 Two boundary vertices in a component give singularity

With \(B\) as in Lemma 328, if the subgraph on edge set \(X\) has a connected component containing two or more vertices of \(\delta S\), then \(\det B_X=0\).

Proof

Let \(Y\) be such a component. If \(Y\) contains more than one vertex of \(\delta S\), then \(|V(Y)\cap S|\le |V(Y)|-2\le |E(Y)|-1\) (since a connected graph has \(|E(Y)|\ge |V(Y)|-1\)). The columns of \(B\) indexed by the edges of \(Y\) have nonzero entries only in the rows indexed by \(V(Y)\cap S\) (boundary vertices are not rows), i.e. they lie in a space of dimension at most \(|E(Y)|-1\). Thus the \(|E(Y)|\) columns are linearly dependent, and any square submatrix \(B_X\) containing them has \(\det B_X=0\).

Lemma 330 Determinant for a rooted forest

With \(B\) as in Lemma 328, if the subgraph formed by an \(|S|\)-edge set \(X\) is a rooted spanning forest of \(S\), then

\[ |\det B_X|=\prod _{x\in S}\frac{1}{\sqrt{d_x}}. \]
Proof

By Lemmas 328 and 329 we may assume the edges of \(X\) form a forest in which each connected component contains exactly one vertex of \(\delta S\). Then there is a leaf edge whose column has a single nonzero entry, say \((x_1,e_1)\) with \(x_1\in S\) (a pendant vertex of \(S\) attached by \(e_1\)). Expanding the determinant along that column, \(|\det B_X|=\frac{1}{\sqrt{d_{x_1}}}\, |\det B_X^{(1)}|\), where \(B_X^{(1)}\) is the submatrix on rows \(S\setminus \{ x_1\} \) and columns \(X\setminus \{ e_1\} \). Removing one pendant vertex and its edge at a time preserves the rooted-forest structure, and after \(|S|\) steps we obtain \(|\det B_X|=\prod _{x\in S}1/\sqrt{d_x}\).

Theorem 331 Theorem 8.3: matrix-tree theorem with boundary

For an induced subgraph \(S\) in a graph \(G\) with \(\delta S\ne \emptyset \), the number of rooted spanning forests of \(S\) is

\[ \Bigl(\prod _{x\in S}d_x\Bigr)\Bigl(\prod _{i=1}^{|S|}\lambda _i\Bigr), \]

where \(\lambda _i\), \(1\le i\le |S|\), are the Dirichlet eigenvalues of the Laplacian of \(S\) in \(G\).

Proof

Let \(B\) be the incidence matrix of Lemma 328. A direct computation gives \(\mathcal L_S=BB^{*}\) (equation (8.8)): the \((x,x)\) entry is \(\sum _{e\ni x}1/d_x=1\) and the \((x,y)\) entry for \(x\sim y\) is \(-1/\sqrt{d_xd_y}\). By the Cauchy–Binet formula (Lemma 312),

\[ \prod _{i=1}^{|S|}\lambda _i=\det \mathcal L_S=\det (BB^{*})=\sum _X\det B_X\, \det B_X^{*}, \]

where \(X\) ranges over all \(|S|\)-element sets of edges of \(S^{*}\) and \(B_X\) is the \(|S|\times |S|\) submatrix on those columns. By Lemma 328, terms whose \(X\) contains a cycle vanish; by Lemma 329, terms whose \(X\) has a component with two boundary vertices vanish. The surviving \(X\) are exactly the rooted spanning forests of \(S\), and for each, \(\det B_X\det B_X^{*}=(\det B_X)^2=\prod _{x\in S}1/d_x\) by Lemma 330. Therefore

\[ \prod _{i=1}^{|S|}\lambda _i=\frac{1}{\prod _{x\in S}d_x}\, \bigl|\{ \text{rooted spanning forests of }S\} \bigr|, \]

which rearranges to the stated count.

Corollary 332 Classical matrix-tree theorem

For a connected graph \(G\) on vertex set \(V\) and any vertex \(v\), applying Theorem 331 to the induced subgraph \(S=V\setminus \{ v\} \) (so \(\delta S=\{ v\} \)) puts the rooted spanning forests of \(S\) in one-to-one correspondence with the spanning trees of \(G\). Consequently the number of spanning trees of \(G\) equals the determinant of the cofactor of the combinatorial Laplacian \(L=T-A\) obtained by deleting the row and column of \(v\).

Proof

With \(S=V\setminus \{ v\} \), a rooted spanning forest \(F\) has vertex set \(V\), is acyclic, and has each component containing exactly one vertex of \(\delta S=\{ v\} \); hence \(F\) has a single component containing \(v\), i.e. \(F\) is a spanning tree of \(G\). Conversely each spanning tree, rooted at \(v\), is such an \(F\). Thus Theorem 331 counts spanning trees; unwinding the normalization \(\mathcal L_S=T^{-1/2}(T-A)_S T^{-1/2}\) shows this count is the principal cofactor of \(L=T-A\), which is Kirchhoff’s classical matrix-tree theorem.

Definition 333 Dirichlet energy and partition function, s8.6

For an induced subgraph \(S\) with non-empty boundary \(\delta S\) and a boundary datum \(\sigma :\delta S\to \mathbb R\), the energy of a function \(f\) is

\[ H(f)=\sum _{\substack {x\sim y\\ x\in S}}\bigl(f(x)-f(y)\bigr)^2 =\sum _{\{ x,y\} \in S^{*}}\bigl(f(x)-f(y)\bigr)^2, \]

the sum ranging over edges with at least one endpoint in \(S\). The corresponding partition function at coupling \(c{\gt}0\) is

\[ Z(\sigma )=\int e^{-c\, H(f)}\, df, \]

where \(f\) ranges over all functions on \(S\cup \delta S\) whose restriction to \(\delta S\) equals \(\sigma \).

Lemma 334 Harmonic minimizer

Among all functions \(f\) with \(f|_{\delta S}=\sigma \), the energy \(H(f)\) is minimized by a function \(f_0\) which is discrete-harmonic on \(S\):

\[ \sum _{\substack {y\\ y\sim x}}\bigl(f_0(x)-f_0(y)\bigr)=0\qquad \text{for all }x\in S. \]

If \(S\) is connected, \(f_0\) exists and is uniquely determined by \(\sigma \).

Proof

\(H(f)\) is a quadratic function of the free variables \(\{ f(x):x\in S\} \) (the values on \(\delta S\) being fixed to \(\sigma \)). Its stationarity condition \(\partial H/\partial f(x)=2\sum _{y\sim x}(f(x)-f(y))=0\) for each \(x\in S\) is exactly the discrete-harmonic equation. The Hessian of \(H\) in the free variables is \(2\mathcal L_S\) (in the unnormalized/normalized sense of Corollary 326), which is positive definite since \(\delta S\ne \emptyset \) and \(S\) is connected; hence the quadratic has a unique minimizer \(f_0\), determined by \(\sigma \).

Proposition 335 Partition function as a determinant

Let \(n=|S|\) and let \(\lambda _i\) be the Dirichlet eigenvalues of \(S\). Then

\[ Z(\sigma )=e^{-c\, H(f_0)}\Bigl(\frac{\pi }{c}\Bigr)^{n/2}\Bigl(\prod _{i=1}^{n}\lambda _i\Bigr)^{-1/2} =e^{-c\, H(f_0)}\Bigl(\frac{\pi }{c}\Bigr)^{n/2}(\det \mathcal L_S)^{-1/2}. \]

Thus the partition function is reduced, up to the boundary factor \(e^{-cH(f_0)}\) and elementary constants, to the product of the Dirichlet eigenvalues, which by Theorem 331 counts rooted spanning forests.

Proof

Let \(f_0\) be the harmonic minimizer of Lemma 334. For any \(g\) with \(g|_{\delta S}=\sigma \) write \(f=g-f_0\); then \(f\) satisfies the Dirichlet condition \(f|_{\delta S}=0\). Expanding,

\[ H(g)=\sum _{\{ x,y\} \in S^{*}}(f(x)-f(y))^2 +2\sum _{\{ x,y\} \in S^{*}}(f(x)-f(y))(f_0(x)-f_0(y)) +\sum _{\{ x,y\} \in S^{*}}(f_0(x)-f_0(y))^2 . \]

The cross term equals \(2\sum _{x\in S}f(x)\sum _{y\sim x}(f_0(x)-f_0(y))=0\): the boundary contributions drop because \(f=0\) on \(\delta S\), and the interior sum vanishes by harmonicity of \(f_0\). Hence \(H(g)=H(f)+H(f_0)\) and

\[ Z(\sigma )=e^{-c\, H(f_0)}\int _{f\in D^{*}}e^{-c\, H(f)}\, df. \]

Expressing \(f\) in an orthonormal eigenbasis \(\{ \phi _i\} \) of \(\mathcal L_S\), \(f=\sum _i x_i\phi _i\), we get \(H(f)=\sum _i\lambda _i x_i^2\) (with \(\lambda _i\) the Dirichlet eigenvalues, by Corollary 326). Then by the Gaussian integral (Lemma 311),

\[ \int e^{-c\sum _i\lambda _i x_i^2}\, \prod _i dx_i=\prod _{i=1}^{n}\sqrt{\frac{\pi }{c\lambda _i}} =\Bigl(\frac{\pi }{c}\Bigr)^{n/2}\Bigl(\prod _i\lambda _i\Bigr)^{-1/2}, \]

which gives the stated formula, using \(\det \mathcal L_S=\prod _i\lambda _i\).