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Graph Neural Networks (GNNs) have been widely adopted for their ability to compute expressive node representations in graph datasets. However, serving GNNs on large graphs is challenging due to the high communication, computation, and…

Let G be a directed graph with n vertices and non-negative weights in its directed edges, embedded on a surface of genus g, and let f be an arbitrary face of G. We describe a randomized algorithm to preprocess the graph in O(gn log n) time…

Quantum-based molecular dynamics (QMD) is a highly accurate and transferable method for material science simulations. However, the time scales and system sizes accessible to QMD are typically limited to picoseconds and a few hundred atoms.…

This work proposes a space-time least-squares Petrov-Galerkin (ST-LSPG) projection method for model reduction of nonlinear dynamical systems. In contrast to typical nonlinear model-reduction methods that first apply (Petrov-)Galerkin…

We revisit a classical graph-theoretic problem, the \textit{single-source shortest-path} (SSSP) problem, in weighted unit-disk graphs. We first propose an exact (and deterministic) algorithm which solves the problem in $O(n \log^2 n)$ time…

For an undirected $n$-vertex planar graph $G$ with non-negative edge-weights, we consider the following type of query: given two vertices $s$ and $t$ in $G$, what is the weight of a min $st$-cut in $G$? We show how to answer such queries in…

We prove a square-root space simulation for deterministic multitape Turing machines, showing $\mathrm{TIME}[t]\subseteq \mathrm{SPACE}[O(\sqrt{t})]$ \emph{measured in tape cells over a fixed finite alphabet}. The key step is a Height…

Developing accurate, data-efficient surrogate models is central to advancing AI for Science. Neural operators (NOs), which approximate mappings between infinite-dimensional function spaces using conventional neural architectures, have…

We show that 2-tag systems efficiently simulate Turing machines. As a corollary we find that the small universal Turing machines of Rogozhin, Minsky and others simulate Turing machines in polynomial time. This is an exponential improvement…

A graph is rectilinear planar if it admits a planar orthogonal drawing without bends. While testing rectilinear planarity is NP-hard in general (Garg and Tamassia, 2001), it is a long-standing open problem to establish a tight upper bound…

Let G=(V,E)(|V|=n and |E|=m) be an undirected graph with positive edge weights. Let P_{G}(s, t) be a shortest s-t path in G. Let l be the number of edges in P_{G}(s, t). The \emph{Edge Replacement Path} problem is to compute a shortest s-t…

A book embedding of a graph is a drawing that maps vertices onto a line and edges to simple pairwise non-crossing curves drawn into pages, which are half-planes bounded by that line. Two-page book embeddings, i.e., book embeddings into 2…

The bandwidth of a graph G on n vertices is the minimum b such that the vertices of G can be labeled from 1 to n such that the labels of every pair of adjacent vertices differ by at most b. In this paper, we present a 2-approximation…

We study the computational model of polygraphs. For that, we consider polygraphic programs, a subclass of these objects, as a formal description of first-order functional programs. We explain their semantics and prove that they form a…

We give an algorithm to compute a one-dimensional shape-constrained function that best fits given data in weighted-$L_{\infty}$ norm. We give a single algorithm that works for a variety of commonly studied shape constraints including…

We study the computational complexity of approximately computing the partition function of a spin system. Techniques based on standard counting-to-sampling reductions yield $\tilde{O}(n^2)$-time algorithms, where $n$ is the size of the…

In this paper, we demonstrate our work on Gaussian Process Occupancy Mapping (GPOM). We concentrate on the inefficiency of the frame computation of the classical GPOM approaches. In robotics, most of the algorithms are required to run in…

Standard simulations of Turing machines suggest a linear relationship between the temporal duration $t$ of a run and the amount of information that must be stored by known simulations to certify, verify, or regenerate the configuration at…

This work presents the windowed space-time least-squares Petrov-Galerkin method (WST-LSPG) for model reduction of nonlinear parameterized dynamical systems. WST-LSPG is a generalization of the space-time least-squares Petrov-Galerkin method…

Gaussian processes (GP) are Bayesian non-parametric models that are widely used for probabilistic regression. Unfortunately, it cannot scale well with large data nor perform real-time predictions due to its cubic time cost in the data size.…