Numerous graph neural network (GNN)-based algorithms have been proposed to solve graph-based combinatorial optimization problems (COPs), but methods to explain their predictions remain largely undeveloped. We introduce ARM-Explainer, a post-hoc, model-level explainer based on association rule mining, and demonstrate it on the predictions of the hybrid geometric scattering (HGS) GNN for the maximum clique problem (MCP), a canonical NP-hard graph-based COP. The eight most explanatory association rules discovered by ARM-Explainer achieve high median lift and confidence values of 2.42 and 0.49, respectively, on test instances from the TWITTER and BHOSLIB-DIMACS benchmark datasets. ARM-Explainer identifies the most important node features, together with their value ranges, that influence the GNN's predictions on these datasets. Furthermore, augmenting the GNN with informative node features substantially improves its performance on the MCP, increasing the median largest-found clique size by 22% (from 29.5 to 36) on large graphs from the BHOSLIB-DIMACS dataset.

We consider the following detection problem: given a realization of a symmetric matrix X of dimension n, distinguish between the hypothesis that all upper triangular variables are i.i.d. Gaussians variables with mean 0 and variance 1 and the hypothesis that there is a planted principal submatrix B of dimension L for which all upper triangular variables are i.i.d. Gaussians with mean 1 and variance 1, whereas all other upper triangular elements of X not in B are i.i.d.

A $k$-defective clique of an undirected graph $G$ is a subset of its vertices that induces a nearly complete graph with a maximum of $k$ missing edges. The maximum $k$-defective clique problem, which asks for the largest $k$-defective clique from the given graph, is important in many applications, such as social and biological network analysis. In the paper, we propose a new branching algorithm that takes advantage of the structural properties of the $k$-defective clique and uses the efficient maximum clique algorithm as a subroutine. As a result, the algorithm has a better asymptotic running time than the existing ones. We also investigate upper-bounding techniques and propose a new upper bound utilizing the \textit{conflict relationship} between vertex pairs. Because conflict relationship is common in many graph problems, we believe that this technique can be potentially generalized. Finally, experiments show that our algorithm outperforms state-of-the-art solvers on a wide range of open benchmarks.

We consider the following detection problem: given a realization of a symmetric matrix X of dimension n, distinguish between the hypothesis that all upper triangular variables are i.i.d. Gaussians variables with mean 0 and variance 1 and the hypothesis that there is a planted principal submatrix B of dimension L for which all upper triangular variables are i.i.d. Gaussians with mean 1 and variance 1, whereas all other upper triangular elements of X not in B are i.i.d.

This manuscript provides a comprehensive review of the Maximum Clique Problem, a computational problem that involves finding subsets of vertices in a graph that are all pairwise adjacent to each other. The manuscript covers in a simple way classical algorithms for solving the problem and includes a review of recent developments in graph neural networks and quantum algorithms. The review concludes with benchmarks for testing classical as well as new learning, and quantum algorithms.

The Maximum s-Bundle Problem (MBP) addresses the task of identifying a maximum s-bundle in a given graph. A graph G=(V, E) is called an s-bundle if its vertex connectivity is at least |V|-s, where the vertex connectivity equals the minimum number of vertices whose deletion yields a disconnected or trivial graph. MBP is NP-hard and holds relevance in numerous realworld scenarios emphasizing the vertex connectivity. Exact algorithms for MBP mainly follow the branch-and-bound (BnB) framework, whose performance heavily depends on the quality of the upper bound on the cardinality of a maximum s-bundle and the initial lower bound with graph reduction. In this work, we introduce a novel Partition-based Upper Bound (PUB) that leverages the graph partitioning technique to achieve a tighter upper bound compared to existing ones. To increase the lower bound, we propose to do short random walks on a clique to generate larger initial solutions. Then, we propose a new BnB algorithm that uses the initial lower bound and PUB in preprocessing for graph reduction, and uses PUB in the BnB search process for branch pruning. Extensive experiments with diverse s values demonstrate the significant progress of our algorithm over state-of-the-art BnB MBP algorithms. Moreover, our initial lower bound can also be generalized to other relaxation clique problems.

The planted clique problem is well-studied in the context of observing, explaining, and predicting interesting computational phenomena associated with statistical problems. When equating computational efficiency with the existence of polynomial time algorithms, the computational hardness of (some variant of) the planted clique problem can be used to infer the computational hardness of a host of other statistical problems. Is this ability to transfer computational hardness from (some variant of) the planted clique problem to other statistical problems robust to changing our notion of computational efficiency to space efficiency? We answer this question affirmatively for three different statistical problems, namely Sparse PCA, submatrix detection, and testing almost k-wise independence. The key challenge is that space efficient randomized reductions need to repeatedly access the randomness they use. Known reductions to these problems are all randomized and need polynomially many random bits to implement. Since we can not store polynomially many random bits in memory, it is unclear how to implement these existing reductions space efficiently. There are two ideas involved in circumventing this issue and implementing known reductions to these problems space efficiently. 1. When solving statistical problems, we can use parts of the input itself as randomness. 2. Secret leakage variants of the planted clique problem with appropriate secret leakage can be more useful than the standard planted clique problem when we want to use parts of the input as randomness. (abstract shortened due to arxiv constraints)

We develop new tools in the theory of nonlinear random matrices and apply them to study the performance of the Sum of Squares (SoS) hierarchy on average-case problems. The SoS hierarchy is a powerful optimization technique that has achieved tremendous success for various problems in combinatorial optimization, robust statistics and machine learning. It's a family of convex relaxations that lets us smoothly trade off running time for approximation guarantees. In recent works, it's been shown to be extremely useful for recovering structure in high dimensional noisy data. It also remains our best approach towards refuting the notorious Unique Games Conjecture. In this work, we analyze the performance of the SoS hierarchy on fundamental problems stemming from statistics, theoretical computer science and statistical physics. In particular, we show subexponential-time SoS lower bounds for the problems of the Sherrington-Kirkpatrick Hamiltonian, Planted Slightly Denser Subgraph, Tensor Principal Components Analysis and Sparse Principal Components Analysis. These SoS lower bounds involve analyzing large random matrices, wherein lie our main contributions. These results offer strong evidence for the truth of and insight into the low-degree likelihood ratio hypothesis, an important conjecture that predicts the power of bounded-time algorithms for hypothesis testing. We also develop general-purpose tools for analyzing the behavior of random matrices which are functions of independent random variables. Towards this, we build on and generalize the matrix variant of the Efron-Stein inequalities. In particular, our general theorem on matrix concentration recovers various results that have appeared in the literature. We expect these random matrix theory ideas to have other significant applications.

We propose improved exact and heuristic algorithms for solving the maximum weight clique problem, a well-known problem in graph theory with many applications. Our algorithms interleave successful techniques from related work with novel data reduction rules that use local graph structure to identify and remove vertices and edges while retaining the optimal solution. We evaluate our algorithms on a range of synthetic and real-world graphs, and find that they outperform the current state of the art on most inputs. Our data reductions always produce smaller reduced graphs than existing data reductions alone. As a result, our exact algorithm, MWCRedu, finds solutions orders of magnitude faster on naturally weighted, medium-sized map labeling graphs and random hyperbolic graphs. Our heuristic algorithm, MWCPeel, outperforms its competitors on these instances, but is slightly less effective on extremely dense or large instances.

We consider estimation models of the form $Y=X^*+N$, where $X^*$ is some $m$-dimensional signal we wish to recover, and $N$ is symmetrically distributed noise that may be unbounded in all but a small $\alpha$ fraction of the entries. We introduce a family of algorithms that under mild assumptions recover the signal $X^*$ in all estimation problems for which there exists a sum-of-squares algorithm that succeeds in recovering the signal $X^*$ when the noise $N$ is Gaussian. This essentially shows that it is enough to design a sum-of-squares algorithm for an estimation problem with Gaussian noise in order to get the algorithm that works with the symmetric noise model. Our framework extends far beyond previous results on symmetric noise models and is even robust to adversarial perturbations. As concrete examples, we investigate two problems for which no efficient algorithms were known to work for heavy-tailed noise: tensor PCA and sparse PCA. For the former, our algorithm recovers the principal component in polynomial time when the signal-to-noise ratio is at least $\tilde{O}(n^{p/4}/\alpha)$, that matches (up to logarithmic factors) current best known algorithmic guarantees for Gaussian noise. For the latter, our algorithm runs in quasipolynomial time and matches the state-of-the-art guarantees for quasipolynomial time algorithms in the case of Gaussian noise. Using a reduction from the planted clique problem, we provide evidence that the quasipolynomial time is likely to be necessary for sparse PCA with symmetric noise. In our proofs we use bounds on the covering numbers of sets of pseudo-expectations, which we obtain by certifying in sum-of-squares upper bounds on the Gaussian complexities of sets of solutions. This approach for bounding the covering numbers of sets of pseudo-expectations may be interesting in its own right and may find other application in future works.