How can I formally prove that undirected graphs cannot be axiomatised in First Order Logic with only unary predicates?

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All the models of the following FOL formula are simple undirected graphs and all the simple undirected graphs are a model of this formula [source]:

$$\forall x. \neg R(x,x)$$ $$\forall x \forall y. R(x,y) \rightarrow R(y,x)$$ Now, can I express this formula somehow with unary predicates alone in a function free FOL language ? If not then how can I prove that it's not possible ?

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The first step is to even state the claim precisely! The key notion is that of an interpretation. Their full generality is a bit technical, so I'll just treat the relevant special case here.

Suppose $G=(V;R)$ is a graph (= set equipped with a binary relation). Are there necessarily sets $X_1,...,X_n\subseteq V$ such that $R$ is definable in the "purely unary" structure $(V; X_1,...,X_n)$?

This turns out to have a very strong negative answer. First I'll prove it for the usual (first-order) notion of definability, and then I'll briefly talk about its much broader applicability.


Main question

The key is to think about automorphisms, and specifically orbits. Recall that an orbit in a structure $\mathcal{M}$ is a set of the form $$Orb_\mathcal{M}(m):=\{\alpha(m): \alpha\in Aut(\mathcal{M})\}$$ for some element $m$. We want to count the orbits in the various relevant types of structure:

  1. There is a graph $G$ with infinitely many distinct orbits.

  2. On the other hand, in any structure whatsoever whose signature consists only of finitely many unary relations, there are only finitely many orbits (namely $2^k$ where $k$ is the number of unary relations).

Proving each of (1) and (2) is a good exercise. For (1), think about the successor graph on $\mathbb{N}$ (the vertex set is $\mathbb{N}$ and the edge relation is $aRb\iff a+1=b$); this graph has no (nontrivial) automorphisms whatsoever, so all the orbits are singletons. For $(2)$, draw a Venn diagram and show that permutations which "respect the bubbles" are automorphisms.

The point, then, is this. Suppose $G=(V;R)$ is a graph with infinitely many orbits and $X_1,...,X_n\subseteq V$. By the pigeonhole principle, there are vertices $g,h\in V$ such that $g$ and $h$ are in the same $(V;X_1,...,X_n)$-orbit but not in the same $(V;R)$-orbit. This means that there is some automorphism of $(V;X_1,...,X_n)$ which is not an automorphism of $(V;R)$. But this can't happen if $R$ is definable in $(V;X_1,...,X_n)$:

  1. If $S$ is a definable relation in a structure $\mathcal{M}=(M;[\mathit{stuff}])$, then every automorphism of $\mathcal{M}$ is also an automorphism of the expansion $\mathcal{N}:=(M;[\mathit{stuff}], S)$.

(A relevant term here is "expansion by definitions.") We can prove (3) by induction on formula complexity, as is often the case, and this finishes the proof.


Coda

Actually (3) is a much broader principle: it's essentially part of any reasonable definition of "logic" in general (and so e.g. holds true of second-order logic, infinitary logics, etc. as well). Meanwhile, (1) and (2) are purely "structural" - they don't mention logic or definability at all. Consequently, the question here actually has a very strong negative answer:

There is no reasonable logic in which we can "code" graphs by unary predicates.

In my opinion this is the "right" theorem - it's not good to focus on FOL to the exclusion of all other logics, and so when a theorem about FOL generalizes essentially without effort to a much broader class of logics it's important to at least state that generalization explicitly.

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As Noah has invited alternative answers, here is mine: a first-order logic whose only non-logical symbols are unary predicate symbols is decidable. E.g., see Prove the theory of equality with a finite number of unary predicates is decidable. (Note that as any formula contains only finitely many symbols, the restriction to a finite number of possible unary predicates is not important.) However, the theory of equality together with a single binary relation is undecidable. This shows that there is no finite axiomatisation of the theory of undirected graphs using only unary predicate symbols.

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So far, we have an answer that generalizes to a large class of logics, and a more specific answer that treats first-order logic. Let me give an even more specific answer: one that focuses on the finite case.

Assume that there was a predicate formula $\varphi$ (given in terms of unary predicates and perhaps equality) whose models are simple undirected graphs, and that all the simple undirected graphs are a model of this formula $\varphi$. So the $n$-element models of $\varphi$ should be precisely the simple undirected graphs with $n$ vertices.

Since the formula $\varphi$ contains only finitely many (say $k$) unary predicates, and each unary predicate determines a single subset of these $n$ vertices, we would get that there are at most $2^{kn}$ different graph structures on $n$ vertices. However, it can be shown (see Flajolet and Sedgewick: Analytic Combinatorics, p. 105, available on the author's website) that as $n$ goes to infinity, the number of simple graphs (up to isomorphism) grows faster than $2^{n\left(\frac{n-1}{2} - \log n\right)}$. Needless to say, this rapidly outgrows any function of the form $2^{kn}$ for fixed $k$.