A Tight Lower Bound for Counting Hamiltonian Cycles via Matrix Rank

For even $k$, the matchings connectivity matrix $\mathbf{M}_k$ encodes which pairs of perfect matchings on $k$ vertices form a single cycle. Cygan et al. (STOC 2013) showed that the rank of $\mathbf{M}_k$ over $\mathbb{Z}_2$ is $\Theta(\sqrt 2^k)$ and used this to give an $O^*((2+\sqrt{2})^{\mathsf{pw}})$ time algorithm for counting Hamiltonian cycles modulo $2$ on graphs of pathwidth $\mathsf{pw}$. The same authors complemented their algorithm by an essentially tight lower bound under the Strong Exponential Time Hypothesis (SETH). This bound crucially relied on a large permutation submatrix within $\mathbf{M}_k$, which enabled a "pattern propagation" commonly used in previous related lower bounds, as initiated by Lokshtanov et al. (SODA 2011). We present a new technique for a similar pattern propagation when only a black-box lower bound on the asymptotic rank of $\mathbf{M}_k$ is given; no stronger structural insights such as the existence of large permutation submatrices in $\mathbf{M}_k$ are needed. Given appropriate rank bounds, our technique yields lower bounds for counting Hamiltonian cycles (also modulo fixed primes $p$) parameterized by pathwidth. To apply this technique, we prove that the rank of $\mathbf{M}_k$ over the rationals is $4^k / \mathrm{poly}(k)$. We also show that the rank of $\mathbf{M}_k$ over $\mathbb{Z}_p$ is $\Omega(1.97^k)$ for any prime $p\neq 2$ and even $\Omega(2.15^k)$ for some primes. As a consequence, we obtain that Hamiltonian cycles cannot be counted in time $O^*((6-\epsilon)^{\mathsf{pw}})$ for any $\epsilon>0$ unless SETH fails. This bound is tight due to a $O^*(6^{\mathsf{pw}})$ time algorithm by Bodlaender et al. (ICALP 2013). Under SETH, we also obtain that Hamiltonian cycles cannot be counted modulo primes $p\neq 2$ in time $O^*(3.97^\mathsf{pw})$, indicating that the modulus can affect the complexity in intricate ways.Comment: improved lower bounds modulo primes, improved figures, to appear in SODA 201

Effectiveness of graph-based and fingerprint-based similarity measures for virtual screening of 2D chemical structure databases

This paper reports an evaluation of both graph-based and fingerprint-based measures of structural similarity, when used for virtual screening of sets of 2D molecules drawn from the MDDR and ID Alert databases. The graph-based measures employ a new maximum common edge subgraph isomorphism algorithm, called RASCAL, with several similarity coefficients described previously for quantifying the similarity between pairs of graphs. The effectiveness of these graph-based searches is compared with that resulting from similarity searches using BCI, Daylight and Unity 2D fingerprints. Our results suggest that graph-based approaches provide an effective complement to existing fingerprint-based approaches to virtual screening

More Than 1700 Years of Word Equations

Geometry and Diophantine equations have been ever-present in mathematics. Diophantus of Alexandria was born in the 3rd century (as far as we know), but a systematic mathematical study of word equations began only in the 20th century. So, the title of the present article does not seem to be justified at all. However, a linear Diophantine equation can be viewed as a special case of a system of word equations over a unary alphabet, and, more importantly, a word equation can be viewed as a special case of a Diophantine equation. Hence, the problem WordEquations: "Is a given word equation solvable?" is intimately related to Hilbert's 10th problem on the solvability of Diophantine equations. This became clear to the Russian school of mathematics at the latest in the mid 1960s, after which a systematic study of that relation began. Here, we review some recent developments which led to an amazingly simple decision procedure for WordEquations, and to the description of the set of all solutions as an EDT0L language.Comment: The paper will appear as an invited address in the LNCS proceedings of CAI 2015, Stuttgart, Germany, September 1 - 4, 201

Exact Covers via Determinants

Given a k-uniform hypergraph on n vertices, partitioned in k equal parts such that every hyperedge includes one vertex from each part, the k-dimensional matching problem asks whether there is a disjoint collection of the hyperedges which covers all vertices. We show it can be solved by a randomized polynomial space algorithm in time O*(2^(n(k-2)/k)). The O*() notation hides factors polynomial in n and k. When we drop the partition constraint and permit arbitrary hyperedges of cardinality k, we obtain the exact cover by k-sets problem. We show it can be solved by a randomized polynomial space algorithm in time O*(c_k^n), where c_3=1.496, c_4=1.642, c_5=1.721, and provide a general bound for larger k. Both results substantially improve on the previous best algorithms for these problems, especially for small k, and follow from the new observation that Lovasz' perfect matching detection via determinants (1979) admits an embedding in the recently proposed inclusion-exclusion counting scheme for set covers, despite its inability to count the perfect matchings

OLLIE: Derivation-based Tensor Program Optimizer

Boosting the runtime performance of deep neural networks (DNNs) is critical due to their wide adoption in real-world tasks. Existing approaches to optimizing the tensor algebra expression of a DNN only consider expressions representable by a fixed set of predefined operators, missing possible optimization opportunities between general expressions. We propose OLLIE, the first derivation-based tensor program optimizer. OLLIE optimizes tensor programs by leveraging transformations between general tensor algebra expressions, enabling a significantly larger expression search space that includes those supported by prior work as special cases. OLLIE uses a hybrid derivation-based optimizer that effectively combines explorative and guided derivations to quickly discover highly optimized expressions. Evaluation on seven DNNs shows that OLLIE can outperform existing optimizers by up to 2.73$\times$ (1.46$\times$ on average) on an A100 GPU and up to 2.68$\times$ (1.51$\times$) on a V100 GPU, respectively

Narrow sieves for parameterized paths and packings

We present randomized algorithms for some well-studied, hard combinatorial problems: the k-path problem, the p-packing of q-sets problem, and the q-dimensional p-matching problem. Our algorithms solve these problems with high probability in time exponential only in the parameter (k, p, q) and using polynomial space; the constant bases of the exponentials are significantly smaller than in previous works. For example, for the k-path problem the improvement is from 2 to 1.66. We also show how to detect if a d-regular graph admits an edge coloring with $d$ colors in time within a polynomial factor of O(2^{(d-1)n/2}). Our techniques build upon and generalize some recently published ideas by I. Koutis (ICALP 2009), R. Williams (IPL 2009), and A. Bj\"orklund (STACS 2010, FOCS 2010)