In my recent work, in collaboration with Alice Guionnet, Karol Kozlowski and Tamara Grava, we proved a large deviation principle for the empirical measure of the Lax matrix of the Toda chain. Of course, that article contained both novel tricks and routine methods. This can present a problem for those unfamiliar with these methods because it is unclear what is actually innovative, what represents real obstacles vs things dealt with by standard theory. For that reason I’m writing this post to explain how one can prove such a large deviation principle (LDP) in the simplest context of iid random variables. This will lay out the “standard theory.” In the process we will see how the entropy arises, making a bridge with one of the most mysterious concepts in physics.
The setting
Suppose we have a collection of N independent identically distributed real valued random variables (Xk)k=1N, each with distribution e−V(x)dx, where V:R→R is a continuous function growing sufficiently fast that ∫Re−V(x)dx=1. We now form the empirical measure
μN:=N1k=1∑NδXk.
This is a random probability measure on R and its behaviour as N→+∞ is what will interest us. In some ways μN is a “nice” object, however it requires some care. What makes it nice is that our original outcome was simply a vector (X1,…,XN)∈RN. There is no easy way to compare these vectors at different values of N because they live on different spaces, and it isn’t clear what kind of object one should compare it to in the limit as N becomes large. On the other hand, the empirical measures all live on the same space, namely M1(R), the space of Borel probability measures on R. Likewise, we can take some fixed probability measure ν∈M1(R), and ask how close our random measure is to it. The price one pays for all of this is that M1(R) is an infinite dimensional space, and one needs to understand something about its topology to work with it.
To begin, let us define the bounded Lipschitz norm of a function f as
and let BL(R) be the space of functions on R with finite bounded Lipschitz norm. From this we define a metric on probability measures
d(μ,ν)=∥f∥BL≤1sup∫Rfd(μ−ν).
Definition: We say a sequence of probability measures {μn}n≥1 is tight if given any ϵ>0, there exists a compact set K such that μn(Kc)<ϵ for all n≥1.
Intuitively, this means that the mass doesn’t “flow off to infinity.”
Lemma: If the sequence {μn}n≥1 converges to μ in d then {μn}n≥1 is tight.
Proof: Take f to be some Lipschitz function which is equal to 0 on [−M,M], equal to 1 on (−∞,−M−1]∪[M+1,+∞) and takes values between 0 and 1 on the intermediate region. Then
By making M sufficiently large we can make μ([−M,M]c)<21ϵ. This shows that the tail of the sequence is tight. It is easy to see that if a collection of measures is tight, then we may add any finite number of measures and the collection will still be tight. This concludes the proof. □
Lemma: The metric dmetrises weak convergence of measures. That is, given any sequence of Borel probability measures {μn}n≥1, d(μn,μ)→0 iff ∫Rfdμn→∫Rfdμ for all bounded and continuous functions f.
Note that bounded and continuous functions form a larger class than bounded Lipschitz functions. What this lemma is saying is that uniform convergence (of the linear functional) on the unit ball within the space of bounded Lipschitz functions is equivalent to pointwise convergence (of the linear functional) on the larger space of bounded continuous functions.
Proof (sketch): Let f be a bounded and continuous function and suppose d(μn,μ)→0. Then since by tightness, without loss of generality, we may replace f by a compactly supported (continuous) function. Such a function may be uniformly approximated by a Lipschitz function. Hence ∫fdμn→∫fdμ.
On the other hand, suppose ∫fdμn→∫fdμ for all bounded and continuous f. By the same argument as before, we can show that in fact the sequence {μn}n≥1 is tight. Next, consider the collection of functions f such that ∥f∥BL≤1. By tightness, we may fix some large compact set outside which there is little mass. On this compact set our collection of functions is bounded and uniformly equicontinuous, hence by the Arzelà-Ascoli theorem, this collection is totally bounded in the supremum norm ∥⋅∥∞, so that we can in fact approximate by a finite collection of continuous functions. We may then invoke that ∫fdμn→∫fdμ for all the bounded continuous functions f in our finite collection, and so arrive at d(μn,μ)→0. □
Next, given any vector x∈RN, we may define the inclusion map ι:RN→M1(R), ι(x)=N1∑k=1Nδxk, and it is an easy exercise to show that d(ι(x),ι(y))≤N1∥x−y∥, hence this map is continuous.
Given the metric d, we may consider the σ-algebra of Borel subsets of M1(R). From this we may define a probability measure ΠN, so that
ΠN[A]=def∫RN1{ι(x)∈A}k=1∏Ne−V(xk)dxk
for any Borel set A⊂M1(R).
Moving forward, let us define the following free energy functional whose significance will later be apparent.
I:M1(R)⟶[0,+∞]I[μ]=∫RVdμ+∫Rlndxdμdμ.
Note that if μ does not have a density with respect to Lebesgue measure, we interpret the second term as +∞. ∫RVdμ could be regarded as the “energy” and −∫Rlndxdμdμ the entropy of the distribution of particles μ, hence overall (assuming temperature is 1), I[μ] is the Helmholtz free energy of the configuration μ.
Remark: Notice that I[μ]=∫Rlne−Vdμ/dxdμ, which is precisely the relative entropy H(μ∣e−V). Since ln is concave, by Jensen’s inequality we see that H(μ∣e−V)≥0 with equality only when μ=e−V. Hence I[μ]≥0. We also note that since y↦ylny is strictly convex, so I is strictly convex.
Next, we need the following important variational formula for I[μ]=H(μ∣e−V).
Lemma (Donsker-Varadhan formula): Define the relative entropy H(μ∣ν)=∫lndνdμdμ. Then
f∈Cb(R)sup{∫fdμ−ln(∫efdν)}=H(μ∣ν).
Proof:
To begin let us show ≤. If μ≪ν then H(μ∣ν)=+∞ and there is nothing to prove, and so assume μ≪ν and H(μ∣ν)<+∞.
∫fdμ−H(μ∣ν)=∫ln(dμ/dνef)dμ≤ln∫efdν
by Jensen’s inequality applied to ln. This shows that
∫fdμ−ln(∫efdν)≤H(μ∣ν).
To conclude the proof we need to find a sequence of bounded and continuous approximations to lndνdμ, and show that the left hand side converges to H(μ∣ν). This is subtle and requires invoking some big theorems from measure theory.
To begin, we apply the Lebesgue decomposition theorem, which allows us to decompose μ into a measure which is absolutely continuous with respect to ν and another measure which is not. We write μ=ρν+μs, where 0≤ρ≤+∞ is a measurable function, and such that there is a Borel set S such that ν(S)=0 and μs(Sc)=0, and where ρ(x)=+∞ for x∈S. Then we may write
H(μ∣ν)=∫lnρdμ∈[0,+∞].
Note that this formula works for both the case μ≪ν and μ≪ν, since in the former case μs=0, and in the latter case μ(S)>0 and lnρ(x)=+∞ for x∈S.
This function is bounded ∣fM(x)∣≤M and fM(x)→lnρ(x) pointwise as M→+∞, however fM is not typically continuous. However we may invoke Lusin’s theorem to say that fM is continuous except up to a small set. More precisely, let σ=μ+ν. Then by Lusin’s theorem, for any ε>0 there is a closed set E⊂R such that the restriction of fM to E is continuous, and σ(Ec)<ε. The complement of E is an open set, which consists of disjoint open intervals. It is then possible to construct a continuous function g:R→R which agrees with fM on E and is bounded in absolute value by M, this can be done by linear interpolation. Let us now choose ε=e−2M and let us rename the function gM to emphasise the M dependence.
It is easy to see that
∫RgMdμ≥∫RfMdμ−2Me−2M.
Likewise by decomposing into E and its complement we have
∫RegMdν≤∫RefMdν+e−M.
Furthermore, by decomposing into the set for which {lnρ(x)≤−M} and its complement, we find
Finally, if we decompose fM=(fM)+−(fM)− into its positive and negative parts, we have (fM)+↑(lnρ)+ and (fM)−↑(lnρ)− as M→+∞. Furthermore (ρlnρ)−≤e−1. Hence by monotone convergence ∫RfMdμ→∫Rlnρdμ as M→+∞. Since gM is bounded and continuous, this shows the supremum is given by H(μ∣ν). □
Definition: A function f:S→[−∞,+∞] on a metric space S is said to be lower semicontinuous if for all points x∈S and for any sequence {xn}n≥1 in S converging to x, we have liminfn→+∞f(xn)≥f(x).
Lemma: A function f on a metric space S is lower semicontinuous iff its level sets are closed, i.e. f−1((−∞,M]) is closed for all M∈R.
Proof: Suppose f is lower semicontinuous and let {xn}n≥1 be a sequence converging to x such that f(xn)≤M. Then f(x)≤liminfn→+∞f(xn)≤M. Hence x∈f−1((−∞,M]), and so the level set is closed.
Conversely, suppose that all level sets are closed and suppose {xn}n≥1 is a sequence converging to x. We show that liminfn→+∞f(xn)≥f(x). Without loss of generality let us assume {f(xn)}n≥1 tends towards the liminf, which we can achieve by passing to a subsequence. Define An=supm≥nf(xm). We observe by definition that xm∈f−1((−∞,An]) for all m≥n, and by hypothesis this level set is closed, hence x∈f−1((−∞,An]), i.e. f(x)≤An. Taking the limit as n→+∞ we find f(x)≤limn→+∞An=liminfn→+∞f(xn). □
Lemma:μ↦H(μ∣ν) is lower semicontinuous.
Proof: Let {μn}n≥1 be sequence of Borel probability measures converging to μ. By the Donsker-Varadhan formula, for every bounded continuous f
Taking the supremum of the left hand side with respect to f we find H(μ∣ν)≤liminfn→+∞H(μn∣ν) which completes the proof. □
Next, we have an extremely important result which we shall not prove, but which is central to thinking about the topology of M1(R), known as Prokhorov’s theorem.
Proposition (Prokhorov): A subset Γ⊂M1(R) is compact if and only if Γ is closed and tight.
Recall that tightness means that the mass doesn’t flow off to infinity, hence given any sequence of measures which is tight, there is a (weakly) convergent subsequence. Of course, this theorem is trivial in one direction, since if Γ failed to be either closed or tight one could construct a sequence which either had no convergent subsequence or whose limit point isn’t in Γ.
Let us now make an assumption on the growth rate of V.
Assumption:V(x)→+∞ as ∣x∣→+∞. Furthermore, there exists an α>0 sufficiently small so that ∫Re−(1−α)V(x)dx<+∞.
Lemma: The set
KL={μ∈M1(R):∫Vdμ≤L}
is compact.
Proof: First we show that KL is closed. By monotone convergence theorem, and since V is bounded from below,
∫Vdμ=M>0sup∫min{M,V}dμ.
Hence
KL=M>0⋂{μ∈M1(R):∫min{M,V}dμ≤L}.
The linear functional μ↦∫min{M,V}dμ is continuous since min{M,V} is bounded and continuous, hence its associated level sets are closed. Hence KL is an intersection of closed sets and so closed.
Next, we show that KL is tight, and so by Prokhorov’s theorem is compact. Let ϵ>0 and let R>0 be sufficiently large that V(x)−infRV≥ϵL−infRV for all ∣x∣>R. Then by Chebyshev’s inequality, for μ∈KL
L≥∫Vdμ≥ϵL−infRVμ([−R,R]c)+RinfV
and hence μ([−R,R]c)≤ϵ for all μ∈KL. Hence KL is tight. □
Proposition:I has compact level sets, i.e. I−1((−∞,M]) is compact for all M>0.
Proof: From the Donsker-Varadhan formula, by our assumption on V, let us take f=αmin{V,m}. Let μ∈I−1((−∞,M]), then
α∫min{V,m}dμ−ln{∫eαmin{V,m}−V(x)dx}≤I[μ]≤M.
Taking m→+∞, by monotone convergence
α∫Vdμ−ln{∫e−(1−α)V(x)dx}≤M.
Hence if we take L=α−1M+α−1ln{∫e−(1−α)V(x)dx} then I−1((−∞,M])⊂KL. We already know that I−1((−∞,M]) is closed since I is lower semicontinuous, and we know that KL is compact. Hence I−1((−∞,M]) is a closed subset of a compact set, and so is compact. □
The theorem
This concludes the topological background. We are now ready to state the main theorem.
Theorem (Large deviation principle for μN): For any Borel set A⊂M1(R),
exp(−NAoinfI+o(N))≤ΠN[A]≤exp(−NAinfI+o(N))
as N→+∞, where Ao is the interior of the set A and A is the closure.
Morally, this result says that the probability of seeing the distribution of particles μ goes like exp(−NI[μ]). If one has a whole event A, the probability of that event will be dominated by the least unlikely way it can happen. This is what yields the infimum. N is called the speed of the large deviation principle (LDP) and I is called the rate function. A rate function which is lower semicontinuous and has compact level sets is said to be “good”, hence we have already shown that I is “good.”
The most probable distribution of particles is the one that minimises I (namely μ=e−V) and deviations from this are exponentially improbable with the constant in the exponential given by the difference of the free energy from its minimum.
Another way of formulating the LDP is to say that for any open set U
N→+∞liminfN1lnΠN[U]≥−UinfI
and for any closed set F
N→+∞limsupN1lnΠN[F]≤−FinfI.
The proof
There is a useful strategy to prove such LDPs which involves proving three separate claims which together will imply the LDP. These claims are
(1) An upper bound on balls. Namely, we define B(μ,δ)={ν∈M1(R):d(μ,ν)<δ}, then
δ→0limsupN→+∞limsupN1lnΠN[B(μ,δ)]≤−I[μ].
(2) A lower bound on balls. Namely,
δ→0liminfN→+∞liminfN1lnΠN[B(μ,δ)]≥−I[μ].
(3) Exponential tightness. This says that there exists a sequence of compact subsets (KL)L>0 of M1(R) such that
L→+∞limsupN→+∞limsupN1lnΠN[KLc]=−∞.
This final requirement says that, at this exponential scale, we do not have mass flowing off to infinity.
Lemma: (1), (2) and (3) imply that (ΠN)N≥1 satisfies an LDP at speed N and with rate function I.
Proof: Let U⊂M1(R) be open, and let μ∈U. Then there exists a δ>0 such that B(μ,δ)⊂U. Hence N1lnΠN[B(μ,δ)]≤N1lnΠN[U]. Taking the liminf as N→+∞ and then as δ→0, by (2) we have
−I[μ]≤N→+∞liminfN1lnΠN[U].
However μ∈U was arbitrary, hence we may take the supremum of the left hand side to conclude that −infUI≤liminfN→+∞N1lnΠN[U]. This proves the lower bound.
Next, let F⊂M1(R) be a closed set, and write F⊂KLc∪(F∩KL). By subadditivity
F∩KL is the intersection of a closed set with a compact set, and so is compact. Next, let ϵ>0 be arbitrary. Then by (1) for every μ∈F∩KL, there is a δμ>0 such that
N→+∞limsupN1lnΠN[B(μ,δμ)]≤−I[μ]+ϵ.
∪μ∈F∩KLB(μ,δμ) is an open cover of F∩KL, and so by compactness it has a finite subcover ∪j=1kB(μj,δμj). Hence by subadditivity we have
If we then let L→+∞, and replace the maximum over μ1,…,μk with a supremum over F, we find
N→+∞limsupN1lnΠN[F]≤−FinfI+ϵ.
ϵ>0 was arbitrary, and hence we conclude the result. □
With these tools in hand, let us now prove (1), (2) and (3). The argument is based around a trick called tilting in which you multiply and divide by ∏k=1Ne−f(xk), and then at the end of the calculation optimise over f. The idea is that this “deforms” our probability distribution e−V to a new “tilted” distribution Z−1ef−V, with f cleverly chosen so that the event one is considering becomes highly probable under the tilted measure.
We may then take ϵ→0 and then optimise over f. Hence by the Donsker-Varadhan formula we have limsupδ→0limsupN→+∞N1lnΠN[B(μ,δ)]≤−H(μ∣e−V). □
Next, we move onto the lower bound on balls. We will need two basic pieces of probability theory before we embark on the proof.
Proposition (weak law of large numbers): Let X1,X2,… be a sequence of iid random variables such that E∣Xi∣<+∞. If we denote m=EXi, then for any ϵ>0
P(N1(X1+⋯+XN)−m≥ϵ)→0
as N→+∞.
We do not prove this result, it can be found in a standard course on probability theory. What is essential is that the assumption on the random variables is very weak: we only assume E∣Xi∣<+∞, we don’t assume Xi has a variance.
Proposition: Let X1,X2,… be a sequence of iid real valued random variables with distribution ν∈M1(R). Then form the empirical measure ι(X):=N1∑k=1NδXk. Then for any ϵ>0, we have P(d(ν,ι(X))≥ϵ)→0 as N→+∞.
Before embarking on the proof, let us briefly state why it is not entirely trivial. We know from the weak law of large numbers that for any fixed (bounded Lipschitz) function f,
∫fd(ν−ι(X))→0
in probability. This is a kind of pointwise convergence for the linear functional. But if we take the supremum over f (before taking the N→+∞ limit) this is a rather different beast, because the space of such bounded Lipschitz functions is infinite dimensional, and for the supremum to go to 0 requires a kind of uniform convergence of the linear functional. As might be expected, we are saved by Arzelà-Ascoli which allows us to approximate the (infinite dimensional) unit ball by a finite collection of functions.
Proof: Recall that d(ν,ι(X))=sup∥f∥BL≤1∫fd(ν−ι(X)).
Consider the event that d(ν,ι(X))≥ϵ. To begin, we choose an R>0 sufficiently large so that ν([−R,R]c)≤ϵ/4. Then, introduce a smooth cutoff function 0≤χ≤1 such that χ(x)=1 for x∈[−R,R] and χ(x)=0 for ∣x∣≥R+1. Then for any ∥f∥BL≤1 we have
ι(X)([−R,R]c) is the random variable that counts what proportion of Xk land in [−R,R]c. It is a sum of iid random variables and has expectation ν([−R,R]c)≤4ϵ, hence by the weak law of large numbers P(ι(X)([−R,R]c)≥2ϵ)→0 as N→+∞.
Next, observe that the functions {fχ:∥f∥BL≤1} form an equicontinuous, uniformly bounded family supported on the compact set [−R−1,R+1]. By Arzelà-Ascoli, given an ϵ>0, there is a finite collection of continuous functions g1,…,gk defined on [−R−1,R+1] such that for every g∈{fχ:∥f∥BL≤1} there is a j∈[[1,k]] such that supx∈[−R−1,R+1]∣g(x)−gj(x)∣≤16ϵ. We can define gj to be 0 on [−R−1,R+1]c, which breaks continuity but this doesn’t matter. Then
We now have enough tools to prove the lower bound on balls.
Proposition (Lower bound on balls):
δ→0liminfN→+∞liminfN1lnΠN[B(μ,δ)]≥−I[μ].
Proof: We begin by remarking that if I[μ]=+∞ then the claim is trivial, hence without loss of generality we may assume I[μ]<+∞, which implies μ is absolutely continuous with respect to e−Vdx, and thus has a Radon-Nikodym derivative ρ=e−Vdxdμ∈L1(e−Vdx).
Next, we restrict our measure to the support of μ and we then tilt our measure with respect to ρ, so that
Next, let ϵ>0 be arbitrary, and let us bound from below by restricting to the event that ∑k=1Nlnρ(Xk)≤NH(μ∣e−V)+Nϵ. Then, by a reverse union bound, we find that
Hence the random variables {lnρ(Xk)}k∈[[1,N]] are an iid collection with finite means and so satisfy the hypotheses of the weak law of large numbers. Since the mean of these random variables is H(μ∣e−V), we have by the WLLN
Pμ⊗N(N1k=1∑Nlnρ(Xk)>H(μ∣e−V)+ϵ)→0
as N→+∞. Hence
δ→0liminfN→+∞liminfN1lnΠN[B(μ,δ)]≥−I[μ]−ϵ.
ϵ>0 was arbitrary, hence we conclude the proof. □
Proposition (Exponential tightness): Recall
KL={μ∈M1(R):∫Vdμ≤L}
which we have already shown to be compact in M1(R). Then
This should hopefully give an idea of what such LDPs mean and how they are proven. With these ideas in place, it is fairly easy to consider deformations, for example
a,b=1∏NeN1W(xa,xb)k=1∏Ne−V(xk)
for W continuous and bounded. The situation becomes more difficult if W has singularities. Thus the method developed above is fairly robust and only demands extra work insofar as interactions are less regular. For example W(x,y)=Pln∣x−y∣ for P>0 corresponds to the so-called high-temperature β-ensemble, and the presence of the logarithmic singularity means that proving large deviations is less trivial. In a future post I will discuss large deviations of the periodic Toda chain, where there are two difficulties: first to actually obtain something like an explicit formula for the joint density of eigenvalues and secondly to deal with its singularities.