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The Erd\"os Renyi graph is a popular choice to model network data as it is parsimoniously parametrized, straightforward to interprete and easy to estimate. However, it has limited suitability in practice, since it often fails to capture crucial characteristics of real-world networks. To check the adequacy of this model, we propose a novel class of goodness-of-fit tests for homogeneous Erd\"os Renyi models against heterogeneous alternatives that allow for nonconstant edge probabilities. We allow for asymptotically dense and sparse networks. The tests are based on graph functionals that cover a broad class of network statistics for which we derive limiting distributions in a unified manner. The resulting class of asymptotic tests includes several existing tests as special cases. Further, we propose a parametric bootstrap and prove its consistency, which allows for performance improvements particularly for small network sizes and avoids the often tedious variance estimation for asymptotic tests. Moreover, we analyse the sensitivity of different goodness-of-fit test statistics that rely on popular choices of subgraphs. We evaluate the proposed class of tests and illustrate our theoretical findings by extensive simulations.

We study robust community detection in the context of node-corrupted stochastic block model, where an adversary can arbitrarily modify all the edges incident to a fraction of the $n$ vertices. We present the first polynomial-time algorithm that achieves weak recovery at the Kesten-Stigum threshold even in the presence of a small constant fraction of corrupted nodes. Prior to this work, even state-of-the-art robust algorithms were known to break under such node corruption adversaries, when close to the Kesten-Stigum threshold. We further extend our techniques to the $Z_2$ synchronization problem, where our algorithm reaches the optimal recovery threshold in the presence of similar strong adversarial perturbations. The key ingredient of our algorithm is a novel identifiability proof that leverages the push-out effect of the Grothendieck norm of principal submatrices.

We give the first numerical calculation of the spectrum of the Laplacian acting on bundle-valued forms on a Calabi-Yau three-fold. Specifically, we show how to compute the approximate eigenvalues and eigenmodes of the Dolbeault Laplacian acting on bundle-valued $(p,q)$-forms on K\"ahler manifolds. We restrict our attention to line bundles over complex projective space and Calabi-Yau hypersurfaces therein. We give three examples. For two of these, $\mathbb{P}^3$ and a Calabi-Yau one-fold (a torus), we compare our numerics with exact results available in the literature and find complete agreement. For the third example, the Fermat quintic three-fold, there are no known analytic results, so our numerical calculations are the first of their kind. The resulting spectra pass a number of non-trivial checks that arise from Serre duality and the Hodge decomposition. The outputs of our algorithm include all the ingredients one needs to compute physical Yukawa couplings in string compactifications.

Despite several advances in recent years, learning causal structures represented by directed acyclic graphs (DAGs) remains a challenging task in high dimensional settings when the graphs to be learned are not sparse. In this paper, we propose to exploit a low rank assumption regarding the (weighted) adjacency matrix of a DAG causal model to help address this problem. We utilize existing low rank techniques to adapt causal structure learning methods to take advantage of this assumption and establish several useful results relating interpretable graphical conditions to the low rank assumption. Specifically, we show that the maximum rank is highly related to hubs, suggesting that scale-free networks, which are frequently encountered in practice, tend to be low rank. Our experiments demonstrate the utility of the low rank adaptations for a variety of data models, especially with relatively large and dense graphs. Moreover, with a validation procedure, the adaptations maintain a superior or comparable performance even when graphs are not restricted to be low rank.

Previously, the diagonals-parameter symmetry model based on $f$-divergence (denoted by DPS[$f$]) was reported to be equivalent to the diagonals-parameter symmetry model regardless of the function $f$, but the proof was omitted. Here, we derive the DPS[$f$] model and the proof of the relation between the two models. We can obtain various interpretations of the diagonals-parameter symmetry model from the result. Additionally, the necessary and sufficient conditions for symmetry and property between test statistics for goodness of fit are discussed.

Automatic differentiation, also known as backpropagation, AD, autodiff, or algorithmic differentiation, is a popular technique for computing derivatives of computer programs accurately and efficiently. Sometimes, however, the derivatives computed by AD could be interpreted as incorrect. These pitfalls occur systematically across tools and approaches. In this paper we broadly categorize problematic usages of AD and illustrate each category with examples such as chaos, time-averaged oscillations, discretizations, fixed-point loops, lookup tables, and linear solvers. We also review debugging techniques and their effectiveness in these situations. With this article we hope to help readers avoid unexpected behavior, detect problems more easily when they occur, and have more realistic expectations from AD tools.

Objective. Algorithmic differentiation (AD) can be a useful technique to numerically optimize design and algorithmic parameters by, and quantify uncertainties in, computer simulations. However, the effectiveness of AD depends on how "well-linearizable" the software is. In this study, we assess how promising derivative information of a typical proton computed tomography (pCT) scan computer simulation is for the aforementioned applications. Approach. This study is mainly based on numerical experiments, in which we repeatedly evaluate three representative computational steps with perturbed input values. We support our observations with a review of the algorithmic steps and arithmetic operations performed by the software, using debugging techniques. Main results. The model-based iterative reconstruction (MBIR) subprocedure (at the end of the software pipeline) and the Monte Carlo (MC) simulation (at the beginning) were piecewise differentiable. Jumps in the MBIR function arose from the discrete computation of the set of voxels intersected by a proton path. Jumps in the MC function likely arose from changes in the control flow that affect the amount of consumed random numbers. The tracking algorithm solves an inherently non-differentiable problem. Significance. The MC and MBIR codes are ready for the integration of AD, and further research on surrogate models for the tracking subprocedure is necessary.

Within the framework of Gaussian graphical models, a prior distribution for the underlying graph is introduced to induce a block structure in the adjacency matrix of the graph and learning relationships between fixed groups of variables. A novel sampling strategy named Double Reversible Jumps Markov chain Monte Carlo is developed for block structural learning, under the conjugate G-Wishart prior. The algorithm proposes moves that add or remove not just a single link but an entire group of edges. The method is then applied to smooth functional data. The classical smoothing procedure is improved by placing a graphical model on the basis expansion coefficients, providing an estimate of their conditional independence structure. Since the elements of a B-Spline basis have compact support, the independence structure is reflected on well-defined portions of the domain. A known partition of the functional domain is exploited to investigate relationships among the substances within the compound.

We consider the well-studied Robust $(k, z)$-Clustering problem, which generalizes the classic $k$-Median, $k$-Means, and $k$-Center problems. Given a constant $z\ge 1$, the input to Robust $(k, z)$-Clustering is a set $P$ of $n$ weighted points in a metric space $(M,\delta)$ and a positive integer $k$. Further, each point belongs to one (or more) of the $m$ many different groups $S_1,S_2,\ldots,S_m$. Our goal is to find a set $X$ of $k$ centers such that $\max_{i \in [m]} \sum_{p \in S_i} w(p) \delta(p,X)^z$ is minimized. This problem arises in the domains of robust optimization [Anthony, Goyal, Gupta, Nagarajan, Math. Oper. Res. 2010] and in algorithmic fairness. For polynomial time computation, an approximation factor of $O(\log m/\log\log m)$ is known [Makarychev, Vakilian, COLT $2021$], which is tight under a plausible complexity assumption even in the line metrics. For FPT time, there is a $(3^z+\epsilon)$-approximation algorithm, which is tight under GAP-ETH [Goyal, Jaiswal, Inf. Proc. Letters, 2023]. Motivated by the tight lower bounds for general discrete metrics, we focus on \emph{geometric} spaces such as the (discrete) high-dimensional Euclidean setting and metrics of low doubling dimension, which play an important role in data analysis applications. First, for a universal constant $\eta_0 >0.0006$, we devise a $3^z(1-\eta_{0})$-factor FPT approximation algorithm for discrete high-dimensional Euclidean spaces thereby bypassing the lower bound for general metrics. We complement this result by showing that even the special case of $k$-Center in dimension $\Theta(\log n)$ is $(\sqrt{3/2}- o(1))$-hard to approximate for FPT algorithms. Finally, we complete the FPT approximation landscape by designing an FPT $(1+\epsilon)$-approximation scheme (EPAS) for the metric of sub-logarithmic doubling dimension.

Link prediction on knowledge graphs (KGs) is a key research topic. Previous work mainly focused on binary relations, paying less attention to higher-arity relations although they are ubiquitous in real-world KGs. This paper considers link prediction upon n-ary relational facts and proposes a graph-based approach to this task. The key to our approach is to represent the n-ary structure of a fact as a small heterogeneous graph, and model this graph with edge-biased fully-connected attention. The fully-connected attention captures universal inter-vertex interactions, while with edge-aware attentive biases to particularly encode the graph structure and its heterogeneity. In this fashion, our approach fully models global and local dependencies in each n-ary fact, and hence can more effectively capture associations therein. Extensive evaluation verifies the effectiveness and superiority of our approach. It performs substantially and consistently better than current state-of-the-art across a variety of n-ary relational benchmarks. Our code is publicly available.