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We present a result according to which certain functions of covariance matrices are maximized at scalar multiples of the identity matrix. This is used to show that experimental designs that are optimal under an assumption of independent, homoscedastic responses can be minimax robust, in broad classes of alternate covariance structures. In particular it can justify the common practice of disregarding possible dependence, or heteroscedasticity, at the design stage of an experiment.

Many applications, such as optimization, uncertainty quantification and inverse problems, require repeatedly performing simulations of large-dimensional physical systems for different choices of parameters. This can be prohibitively expensive. In order to save computational cost, one can construct surrogate models by expressing the system in a low-dimensional basis, obtained from training data. This is referred to as model reduction. Past investigations have shown that, when performing model reduction of Hamiltonian systems, it is crucial to preserve the symplectic structure associated with the system in order to ensure long-term numerical stability. Up to this point structure-preserving reductions have largely been limited to linear transformations. We propose a new neural network architecture in the spirit of autoencoders, which are established tools for dimension reduction and feature extraction in data science, to obtain more general mappings. In order to train the network, a non-standard gradient descent approach is applied that leverages the differential-geometric structure emerging from the network design. The new architecture is shown to significantly outperform existing designs in accuracy.

We consider relational semantics (R-models) for the Lambek calculus extended with intersection and explicit constants for zero and unit. For its variant without constants and a restriction which disallows empty antecedents, Andreka and Mikulas (1994) prove strong completeness. We show that it fails without this restriction, but, on the other hand, prove weak completeness for non-standard interpretation of constants. For the standard interpretation, even weak completeness fails. The weak completeness result extends to an infinitary setting, for so-called iterative divisions (Kleene star under division). We also prove strong completeness results for product-free fragments.

Nestedness is a property of bipartite complex networks that has been shown to characterize the peculiar structure of biological and economical networks. In a nested network, a node of low degree has its neighborhood included in the neighborhood of nodes of higher degree. Emergence of nestedness is commonly due to two different schemes: i) mutualistic behavior of nodes, where nodes of each class have an advantage in associating with each other, such as plant pollination or seed dispersal networks; ii) geographic distribution of species, captured in a so-called biogeographic network where species represent one class and geographical areas the other one. Nestedness has useful applications on real-world networks such as node ranking and link prediction. Motivated by analogies with biological networks, we study the nestedness property of the public Internet peering ecosystem, an important part of the Internet where autonomous systems (ASes) exchange traffic at Internet eXchange Points (IXPs). We propose two representations of this ecosystem using a bipartite graph derived from PeeringDB data. The first graph captures the AS [is member of] IXP relationship which is reminiscent of the mutualistic networks. The second graph groups IXPs into countries, and we define the AS [is present at] country relationship to mimic a biogeographic network. We statistically confirm the nestedness property of both graphs, which has never been observed before in Internet topology data. From this unique observation, we show that we can use node metrics to extract new key ASes and make efficient prediction of newly created links over a two-year period.

Current quantum computers can only solve optimization problems of a very limited size. For larger problems, decomposition methods are required in which the original problem is broken down into several smaller sub-problems. These are then solved on the quantum computer and their solutions are merged into a final solution for the original problem. Often, these decomposition methods do not take the specific problem structure into account. In this paper, we present a tailored method using a divide-and-conquer strategy to solve the number partitioning problem (NPP) with a large number of variables. The idea is to perform a specialized decomposition into smaller NPPs, which can be solved on a quantum computer, and then recombine the results into another small auxiliary NPP. Solving this auxiliary problem yields an approximate solution of the original larger problem. We experimentally verify that our method allows to solve NPPs with over a thousand variables using a D-Wave quantum annealer.

Formally verifying the properties of formal systems using a proof assistant requires justifying numerous minor lemmas about capture-avoiding substitution. Despite work on category-theoretic accounts of syntax and variable binding, raw, first-order representations of syntax, the kind considered by many practitioners and compiler frontends, have received relatively little attention. Therefore applications miss out on the benefits of category theory, most notably the promise of reusing formalized infrastructural lemmas between implementations of different systems. Our Coq framework Tealeaves provides libraries of reusable infrastructure for a raw, locally nameless representation and can be extended to other representations in a modular fashion. In this paper we give a string-diagrammatic account of decorated traversable monads (DTMs), the key abstraction implemented by Tealeaves. We define DTMs as monoids of structured endofunctors before proving a representation theorem a la Kleisli, yielding a recursion combinator for finitary tree-like datatypes.

Digital quantum simulation has broad applications in approximating unitary evolutions of Hamiltonians. In practice, many simulation tasks for quantum systems focus on quantum states in the low-energy subspace instead of the entire Hilbert space. In this paper, we systematically investigate the complexity of digital quantum simulation based on product formulas in the low-energy subspace. We show that the simulation error depends on the effective low-energy norm of the Hamiltonian for a variety of digital quantum simulation algorithms and quantum systems, allowing improvements over the previous complexities for full unitary simulations even for imperfect state preparations. In particular, for simulating spin models in the low-energy subspace, we prove that randomized product formulas such as qDRIFT and random permutation require smaller step complexities. This improvement also persists in symmetry-protected digital quantum simulations. We prove a similar improvement in simulating the dynamics of power-law quantum interactions. We also provide a query lower bound for general digital quantum simulations in the low-energy subspace.

Graph neural networks (GNNs) have been demonstrated to be a powerful algorithmic model in broad application fields for their effectiveness in learning over graphs. To scale GNN training up for large-scale and ever-growing graphs, the most promising solution is distributed training which distributes the workload of training across multiple computing nodes. However, the workflows, computational patterns, communication patterns, and optimization techniques of distributed GNN training remain preliminarily understood. In this paper, we provide a comprehensive survey of distributed GNN training by investigating various optimization techniques used in distributed GNN training. First, distributed GNN training is classified into several categories according to their workflows. In addition, their computational patterns and communication patterns, as well as the optimization techniques proposed by recent work are introduced. Second, the software frameworks and hardware platforms of distributed GNN training are also introduced for a deeper understanding. Third, distributed GNN training is compared with distributed training of deep neural networks, emphasizing the uniqueness of distributed GNN training. Finally, interesting issues and opportunities in this field are discussed.

The existence of representative datasets is a prerequisite of many successful artificial intelligence and machine learning models. However, the subsequent application of these models often involves scenarios that are inadequately represented in the data used for training. The reasons for this are manifold and range from time and cost constraints to ethical considerations. As a consequence, the reliable use of these models, especially in safety-critical applications, is a huge challenge. Leveraging additional, already existing sources of knowledge is key to overcome the limitations of purely data-driven approaches, and eventually to increase the generalization capability of these models. Furthermore, predictions that conform with knowledge are crucial for making trustworthy and safe decisions even in underrepresented scenarios. This work provides an overview of existing techniques and methods in the literature that combine data-based models with existing knowledge. The identified approaches are structured according to the categories integration, extraction and conformity. Special attention is given to applications in the field of autonomous driving.

Object detection typically assumes that training and test data are drawn from an identical distribution, which, however, does not always hold in practice. Such a distribution mismatch will lead to a significant performance drop. In this work, we aim to improve the cross-domain robustness of object detection. We tackle the domain shift on two levels: 1) the image-level shift, such as image style, illumination, etc, and 2) the instance-level shift, such as object appearance, size, etc. We build our approach based on the recent state-of-the-art Faster R-CNN model, and design two domain adaptation components, on image level and instance level, to reduce the domain discrepancy. The two domain adaptation components are based on H-divergence theory, and are implemented by learning a domain classifier in adversarial training manner. The domain classifiers on different levels are further reinforced with a consistency regularization to learn a domain-invariant region proposal network (RPN) in the Faster R-CNN model. We evaluate our newly proposed approach using multiple datasets including Cityscapes, KITTI, SIM10K, etc. The results demonstrate the effectiveness of our proposed approach for robust object detection in various domain shift scenarios.