Abstract We consider a hierarchy of graph invariants that naturally extends the spectral invariants defined by Fürer (Lin. Alg. Appl. 2010) based on the angles formed by the set of standard basis vectors and their projections onto eigenspaces of the adjacency matrix. We provide a purely combinatorial characterization of this hierarchy in terms of the walk counts. This allows us to give a complete answer to Fürer's question about the strength of his invariants in distinguishing non-isomorphic graphs in comparison with the 2-dimensional Weisfeiler-Leman algorithm, extending the recent work of Rattan and Seppelt (SODA 2023). As another application of the characterization, we prove that almost all graphs are determined up to isomorphism in terms of the spectrum and the angles, which is of interest in view of the long-standing open problem whether almost all graphs are determined by their eigenvalues alone. Finally, we describe the exact relationship between the hierarchy and the Weisfeiler-Leman algorithms for small dimensions, as also some other important spectral characteristics of a graph such as the generalized and the main spectra.

We consider a hierarchy of graph invariants that naturally extends the spectral invariants defined by Fürer (Lin. Alg. Appl. 2010) based on the angles formed by the set of standard basis vectors and their projections onto eigenspaces of the adjacency matrix. We provide a purely combinatorial characterization of this hierarchy in terms of the walk counts. This allows us to give a complete answer to Fürer's question about the strength of his invariants in distinguishing non-isomorphic graphs in comparison to the 2-dimensional Weisfeiler-Leman algorithm, extending the recent work of Rattan and Seppelt (SODA 2023). As another application of the characterization, we prove that almost all graphs are determined up to isomorphism in terms of the spectrum and the angles, which is of interest in view of the long-standing open problem whether almost all graphs are determined by their eigenvalues alone. Finally, we describe the exact relationship between the hierarchy and the Weisfeiler-Leman algorithms for small dimensions, as also some other important spectral characteristics of a graph such as the generalized and the main spectra.

As is well known, the isomorphism problem for vertex-colored graphs with color multiplicity at most 3 is solvable by the classical two-dimensional Weisfeiler--Leman algorithm (2-WL). On the other hand, the prominent Cai--Fürer--Immerman construction shows that even the multidimensional version of the algorithm does not suffice for graphs with color multiplicity 4. We give an efficient decision procedure that, given a graph $G$ of color multiplicity 4, recognizes whether or not $G$ is identifiable by 2-WL, that is, whether or not 2-WL distinguishes $G$ from every nonisomorphic graph. In fact, we solve the much more general problem of recognizing whether or not a given coherent configuration of maximum fiber size 4 is separable. This extends our recognition algorithm to graphs of color multiplicity 4 with directed and colored edges. Our decision procedure is based on an explicit description of the class of graphs with color multiplicity 4 that are not identifiable by 2-WL. The Cai--Fürer--Immerman graphs of color multiplicity 4 distinctly appear here as a natural subclass, which demonstrates that the Cai--Fürer--Immerman construction is not ad hoc. Our classification reveals also other types of graphs that are hard for 2-WL. One of them arises from patterns known as $(n_3)$-configurations in incidence geometry.

In this paper we study the complexity of the following problems: Given a colored graph X=(V,E,c), compute a minimum cardinality set S of vertices such that no nontrivial automorphism of X fixes all vertices in S. A closely related problem is computing a minimum base S for a permutation group G on [n] given by generators, i.e., a minimum cardinality subset S of [n] such that no nontrivial permutation in G fixes all elements of S. Our focus is mainly on the parameterized complexity of these problems. We show that when k=|S| is treated as parameter, then both problems are MINI[1]-hard. For the dual problems, where k=n-|S| is the parameter, we give FPT algorithms. A notion closely related to fixing is called individualization. Individualization combined with the Weisfeiler-Leman procedure is a fundamental technique in algorithms for Graph Isomorphism. Motivated by the power of individualization, in the present paper we explore the complexity of individualization: what is the minimum number of vertices we need to individualize in a given graph such that color refinement "succeeds" on it. Here "succeeds" could have different interpretations, and we consider the following: It could mean the individualized graph becomes: (a) discrete, (b) amenable, (c) compact, or (d) refinable. In particular, we study the parameterized versions of these problems where the parameter is the number of vertices individualized. We show a dichotomy: For graphs with color classes of size at most 3 these problems can be solved in polynomial time (even in logspace), while starting from color class size 4 they become W[P]-hard.