A finite dynamical system with $n$ components is a function $f:X\to X$ where $X=X_1\times\dots\times X_n$ is a product of $n$ finite intervals of integers. The structure of such a system $f$ is represented by a signed digraph $G$, called interaction graph: there are $n$ vertices, one per component, and the signed arcs describe the positive and negative influences between them. Finite dynamical systems are usual models for gene networks. In this context, it is often assumed that $f$ is {\em degree-bounded}, that is, the size of each $X_i$ is at most the out-degree of $i$ in $G$ plus one. Assuming that $G$ is connected and that $f$ is degree-bounded, we prove the following: if $G$ is not a cycle, then $f^{n+1}$ may be a constant. In that case, $f$ describes a very simple dynamics: a global convergence toward a unique fixed point in $n+1$ iterations. This shows that, in the degree-bounded case, the fact that $f$ describes a complex dynamics {\em cannot} be deduced from its interaction graph. We then widely generalize the above result, obtaining, as immediate consequences, other limits on what can be deduced from the interaction graph only, as the following weak converses of Thomas' rules: if $G$ is connected and has a positive (negative) cycle, then $f$ may have two (no) fixed points.
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A partial orientation $\vec{H}$ of a graph $G$ is a weak $r$-guidance system if for any two vertices at distance at most $r$ in $G$, there exists a shortest path $P$ between them such that $\vec{H}$ directs all but one edge in $P$ towards this edge. In case $\vec{H}$ has bounded maximum outdegree, this gives an efficient representation of shortest paths of length at most $r$ in $G$. We show that graphs from many natural graph classes admit such weak guidance systems, and study the algorithmic aspects of this notion.
In this paper we present a deep learning method to predict the temporal evolution of dissipative dynamic systems. We propose using both geometric and thermodynamic inductive biases to improve accuracy and generalization of the resulting integration scheme. The first is achieved with Graph Neural Networks, which induces a non-Euclidean geometrical prior with permutation invariant node and edge update functions. The second bias is forced by learning the GENERIC structure of the problem, an extension of the Hamiltonian formalism, to model more general non-conservative dynamics. Several examples are provided in both Eulerian and Lagrangian description in the context of fluid and solid mechanics respectively, achieving relative mean errors of less than 3% in all the tested examples. Two ablation studies are provided based on recent works in both physics-informed and geometric deep learning.
We present a sheaf-theoretic construction of shape space -- the space of all shapes. We do this by describing a homotopy sheaf on the poset category of constructible sets, where each set is mapped to its Persistent Homology Transform (PHT). Recent results that build on fundamental work of Schapira have shown that this transform is injective, thus making the PHT a good summary object for each shape. Our homotopy sheaf result allows us to "glue" PHTs of different shapes together to build up the PHT of a larger shape. In the case where our shape is a polyhedron we prove a generalized nerve lemma for the PHT. Finally, by re-examining the sampling result of Smale-Niyogi-Weinberger, we show that we can reliably approximate the PHT of a manifold by a polyhedron up to arbitrary precision.
A directed graph is oriented if it can be obtained by orienting the edges of a simple, undirected graph. For an oriented graph $G$, let $\beta(G)$ denote the size of a minimum feedback arc set, a smallest subset of edges whose deletion leaves an acyclic subgraph. A simple consequence of a result of Berger and Shor is that any oriented graph $G$ with $m$ edges satisfies $\beta(G) = m/2 - \Omega(m^{3/4})$. We observe that if an oriented graph $G$ has a fixed forbidden subgraph $B$, the upper bound of $\beta(G) = m/2 - \Omega(m^{3/4})$ is best possible as a function of the number of edges if $B$ is not bipartite, but the exponent $3/4$ in the lower order term can be improved if $B$ is bipartite. We also show that for every rational number $r$ between $3/4$ and $1$, there is a finite collection of digraphs $\mathcal{B}$ such that every $\mathcal{B}$-free digraph $G$ with $m$ edges satisfies $\beta(G) = m/2 - \Omega(m^r)$, and this bound is best possible up to the implied constant factor. The proof uses a connection to Tur\'an numbers and a result of Bukh and Conlon. Both of our upper bounds come equipped with randomized linear-time algorithms that construct feedback arc sets achieving those bounds. Finally, we give a characterization of quasirandom directed graphs via minimum feedback arc sets.
We study the problem of testing whether a function $f: \mathbb{R}^n \to \mathbb{R}$ is a polynomial of degree at most $d$ in the \emph{distribution-free} testing model. Here, the distance between functions is measured with respect to an unknown distribution $\mathcal{D}$ over $\mathbb{R}^n$ from which we can draw samples. In contrast to previous work, we do not assume that $\mathcal{D}$ has finite support. We design a tester that given query access to $f$, and sample access to $\mathcal{D}$, makes $(d/\varepsilon)^{O(1)}$ many queries to $f$, accepts with probability $1$ if $f$ is a polynomial of degree $d$, and rejects with probability at least $2/3$ if every degree-$d$ polynomial $P$ disagrees with $f$ on a set of mass at least $\varepsilon$ with respect to $\mathcal{D}$. Our result also holds under mild assumptions when we receive only a polynomial number of bits of precision for each query to $f$, or when $f$ can only be queried on rational points representable using a logarithmic number of bits. Along the way, we prove a new stability theorem for multivariate polynomials that may be of independent interest.
A natural way of increasing our understanding of NP-complete graph problems is to restrict the input to a special graph class. Classes of $H$-free graphs, that is, graphs that do not contain some graph $H$ as an induced subgraph, have proven to be an ideal testbed for such a complexity study. However, if the forbidden graph $H$ contains a cycle or claw, then these problems often stay NP-complete. A recent complexity study on the $k$-Colouring problem shows that we may still obtain tractable results if we also bound the diameter of the $H$-free input graph. We continue this line of research by initiating a complexity study on the impact of bounding the diameter for a variety of classical vertex partitioning problems restricted to $H$-free graphs. We prove that bounding the diameter does not help for Independent Set, but leads to new tractable cases for problems closely related to 3-Colouring. That is, we show that Near-Bipartiteness, Independent Feedback Vertex Set, Independent Odd Cycle Transversal, Acyclic 3-Colouring and Star 3-Colouring are all polynomial-time solvable for chair-free graphs of bounded diameter. To obtain these results we exploit a new structural property of 3-colourable chair-free graphs.
Graph Neural Networks (GNNs), neural network architectures targeted to learning representations of graphs, have become a popular learning model for prediction tasks on nodes, graphs and configurations of points, with wide success in practice. This article summarizes a selection of the emerging theoretical results on approximation and learning properties of widely used message passing GNNs and higher-order GNNs, focusing on representation, generalization and extrapolation. Along the way, it summarizes mathematical connections.
The minimum energy path (MEP) describes the mechanism of reaction, and the energy barrier along the path can be used to calculate the reaction rate in thermal systems. The nudged elastic band (NEB) method is one of the most commonly used schemes to compute MEPs numerically. It approximates an MEP by a discrete set of configuration images, where the discretization size determines both computational cost and accuracy of the simulations. In this paper, we consider a discrete MEP to be a stationary state of the NEB method and prove an optimal convergence rate of the discrete MEP with respect to the number of images. Numerical simulations for the transitions of some several proto-typical model systems are performed to support the theory.
A palindromic substring $T[i.. j]$ of a string $T$ is said to be a shortest unique palindromic substring (SUPS) in $T$ for an interval $[p, q]$ if $T[i.. j]$ is a shortest one such that $T[i.. j]$ occurs only once in $T$, and $[i, j]$ contains $[p, q]$. The SUPS problem is, given a string $T$ of length $n$, to construct a data structure that can compute all the SUPSs for any given query interval. It is known that any SUPS query can be answered in $O(\alpha)$ time after $O(n)$-time preprocessing, where $\alpha$ is the number of SUPSs to output [Inoue et al., 2018]. In this paper, we first show that $\alpha$ is at most $4$, and the upper bound is tight. Also, we present an algorithm to solve the SUPS problem for a sliding window that can answer any query in $O(\log\log W)$ time and update data structures in amortized $O(\log\sigma)$ time, where $W$ is the size of the window, and $\sigma$ is the alphabet size. Furthermore, we consider the SUPS problem in the after-edit model and present an efficient algorithm. Namely, we present an algorithm that uses $O(n)$ time for preprocessing and answers any $k$ SUPS queries in $O(\log n\log\log n + k\log\log n)$ time after single character substitution. As a by-product, we propose a fully-dynamic data structure for range minimum queries (RmQs) with a constraint where the width of each query range is limited to polylogarithmic. The constrained RmQ data structure can answer such a query in constant time and support a single-element edit operation in amortized constant time.
We propose a novel method for automatic reasoning on knowledge graphs based on debate dynamics. The main idea is to frame the task of triple classification as a debate game between two reinforcement learning agents which extract arguments -- paths in the knowledge graph -- with the goal to promote the fact being true (thesis) or the fact being false (antithesis), respectively. Based on these arguments, a binary classifier, called the judge, decides whether the fact is true or false. The two agents can be considered as sparse, adversarial feature generators that present interpretable evidence for either the thesis or the antithesis. In contrast to other black-box methods, the arguments allow users to get an understanding of the decision of the judge. Since the focus of this work is to create an explainable method that maintains a competitive predictive accuracy, we benchmark our method on the triple classification and link prediction task. Thereby, we find that our method outperforms several baselines on the benchmark datasets FB15k-237, WN18RR, and Hetionet. We also conduct a survey and find that the extracted arguments are informative for users.
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