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We consider a simple setting in neuroevolution where an evolutionary algorithm optimizes the weights and activation functions of a simple artificial neural network. We then define simple example functions to be learned by the network and conduct rigorous runtime analyses for networks with a single neuron and for a more advanced structure with several neurons and two layers. Our results show that the proposed algorithm is generally efficient on two example problems designed for one neuron and efficient with at least constant probability on the example problem for a two-layer network. In particular, the so-called harmonic mutation operator choosing steps of size $j$ with probability proportional to $1/j$ turns out as a good choice for the underlying search space. However, for the case of one neuron, we also identify situations with hard-to-overcome local optima. Experimental investigations of our neuroevolutionary algorithm and a state-of-the-art CMA-ES support the theoretical findings.

We study the problem of fair and efficient allocation of a set of indivisible goods to agents with additive valuations using the popular fairness notions of envy-freeness up to one good (EF1) and equitability up to one good (EQ1) in conjunction with Pareto-optimality (PO). There exists a pseudo-polynomial time algorithm to compute an EF1+PO allocation and a non-constructive proof of the existence of allocations that are both EF1 and fractionally Pareto-optimal (fPO), which is a stronger notion than PO. We present a pseudo-polynomial time algorithm to compute an EF1+fPO allocation, thereby improving the earlier results. Our techniques also enable us to show that an EQ1+fPO allocation always exists when the values are positive and that it can be computed in pseudo-polynomial time. We also consider the class of $k$-ary instances where $k$ is a constant, i.e., each agent has at most $k$ different values for the goods. For such instances, we show that an EF1+fPO allocation can be computed in strongly polynomial time. When all values are positive, we show that an EQ1+fPO allocation for such instances can be computed in strongly polynomial time. Next, we consider instances where the number of agents is constant and show that an EF1+PO (likewise, an EQ1+PO) allocation can be computed in polynomial time. These results significantly extend the polynomial-time computability beyond the known cases of binary or identical valuations. We also design a polynomial-time algorithm that computes a Nash welfare maximizing allocation when there are constantly many agents with constant many different values for the goods. Finally, on the complexity side, we show that the problem of computing an EF1+fPO allocation lies in the complexity class PLS.

Neural collapse provides an elegant mathematical characterization of learned last layer representations (a.k.a. features) and classifier weights in deep classification models. Such results not only provide insights but also motivate new techniques for improving practical deep models. However, most of the existing empirical and theoretical studies in neural collapse focus on the case that the number of classes is small relative to the dimension of the feature space. This paper extends neural collapse to cases where the number of classes are much larger than the dimension of feature space, which broadly occur for language models, retrieval systems, and face recognition applications. We show that the features and classifier exhibit a generalized neural collapse phenomenon, where the minimum one-vs-rest margins is maximized.We provide empirical study to verify the occurrence of generalized neural collapse in practical deep neural networks. Moreover, we provide theoretical study to show that the generalized neural collapse provably occurs under unconstrained feature model with spherical constraint, under certain technical conditions on feature dimension and number of classes.

Assessing causal effects in the presence of unobserved confounding is a challenging problem. Existing studies leveraged proxy variables or multiple treatments to adjust for the confounding bias. In particular, the latter approach attributes the impact on a single outcome to multiple treatments, allowing estimating latent variables for confounding control. Nevertheless, these methods primarily focus on a single outcome, whereas in many real-world scenarios, there is greater interest in studying the effects on multiple outcomes. Besides, these outcomes are often coupled with multiple treatments. Examples include the intensive care unit (ICU), where health providers evaluate the effectiveness of therapies on multiple health indicators. To accommodate these scenarios, we consider a new setting dubbed as multiple treatments and multiple outcomes. We then show that parallel studies of multiple outcomes involved in this setting can assist each other in causal identification, in the sense that we can exploit other treatments and outcomes as proxies for each treatment effect under study. We proceed with a causal discovery method that can effectively identify such proxies for causal estimation. The utility of our method is demonstrated in synthetic data and sepsis disease.

We present a new approach, the Topograph, which reconstructs underlying physics processes, including the intermediary particles, by leveraging underlying priors from the nature of particle physics decays and the flexibility of message passing graph neural networks. The Topograph not only solves the combinatoric assignment of observed final state objects, associating them to their original mother particles, but directly predicts the properties of intermediate particles in hard scatter processes and their subsequent decays. In comparison to standard combinatoric approaches or modern approaches using graph neural networks, which scale exponentially or quadratically, the complexity of Topographs scales linearly with the number of reconstructed objects. We apply Topographs to top quark pair production in the all hadronic decay channel, where we outperform the standard approach and match the performance of the state-of-the-art machine learning technique.

In the literature on Kleene algebra, a number of variants have been proposed which impose additional structure specified by a theory, such as Kleene algebra with tests (KAT) and the recent Kleene algebra with observations (KAO), or make specific assumptions about certain constants, as for instance in NetKAT. Many of these variants fit within the unifying perspective offered by Kleene algebra with hypotheses, which comes with a canonical language model constructed from a given set of hypotheses. For the case of KAT, this model corresponds to the familiar interpretation of expressions as languages of guarded strings. A relevant question therefore is whether Kleene algebra together with a given set of hypotheses is complete with respect to its canonical language model. In this paper, we revisit, combine and extend existing results on this question to obtain tools for proving completeness in a modular way. We showcase these tools by giving new and modular proofs of completeness for KAT, KAO and NetKAT, and we prove completeness for new variants of KAT: KAT extended with a constant for the full relation, KAT extended with a converse operation, and a version of KAT where the collection of tests only forms a distributive lattice.

We consider the problem of explaining the predictions of graph neural networks (GNNs), which otherwise are considered as black boxes. Existing methods invariably focus on explaining the importance of graph nodes or edges but ignore the substructures of graphs, which are more intuitive and human-intelligible. In this work, we propose a novel method, known as SubgraphX, to explain GNNs by identifying important subgraphs. Given a trained GNN model and an input graph, our SubgraphX explains its predictions by efficiently exploring different subgraphs with Monte Carlo tree search. To make the tree search more effective, we propose to use Shapley values as a measure of subgraph importance, which can also capture the interactions among different subgraphs. To expedite computations, we propose efficient approximation schemes to compute Shapley values for graph data. Our work represents the first attempt to explain GNNs via identifying subgraphs explicitly and directly. Experimental results show that our SubgraphX achieves significantly improved explanations, while keeping computations at a reasonable level.

Deep neural networks have revolutionized many machine learning tasks in power systems, ranging from pattern recognition to signal processing. The data in these tasks is typically represented in Euclidean domains. Nevertheless, there is an increasing number of applications in power systems, where data are collected from non-Euclidean domains and represented as the graph-structured data with high dimensional features and interdependency among nodes. The complexity of graph-structured data has brought significant challenges to the existing deep neural networks defined in Euclidean domains. Recently, many studies on extending deep neural networks for graph-structured data in power systems have emerged. In this paper, a comprehensive overview of graph neural networks (GNNs) in power systems is proposed. Specifically, several classical paradigms of GNNs structures (e.g., graph convolutional networks, graph recurrent neural networks, graph attention networks, graph generative networks, spatial-temporal graph convolutional networks, and hybrid forms of GNNs) are summarized, and key applications in power systems such as fault diagnosis, power prediction, power flow calculation, and data generation are reviewed in detail. Furthermore, main issues and some research trends about the applications of GNNs in power systems are discussed.

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.