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We study expected runtimes for quantum programs. Inspired by recent work on probabilistic programs, we first define expected runtime as a generalisation of quantum weakest precondition. Then, we show that the expected runtime of a quantum program can be represented as the expectation of an observable (in physics). A method for computing the expected runtimes of quantum programs in finite-dimensional state spaces is developed. Several examples are provided as applications of this method, including computing the expected runtime of quantum Bernoulli Factory -- a quantum algorithm for generating random numbers. In particular, using our new method, an open problem of computing the expected runtime of quantum random walks introduced by Ambainis et al. (STOC 2001) is solved.

Closure space has proven to be a useful tool to restructure lattices and various order structures.This paper aims to provide a novel approach to characterizing some important kinds of continuous domains by means of closure spaces. By introducing an additional map into a given closure space, the notion of F-augmented generalized closure space is presented. It is shown that F-augmented generalized closure spaces generate exactly continuous domains. Moreover, the notion of approximable mapping is identified to represent Scott-continuous functions between continuous domains. These results produce a category equivalent to that of continuous domains with Scottcontinuous functions. At the same time, two subclasses of F-augmented generalized closure spaces are considered which are representations of continuous L-domains and continuous bounded complete domains, respectively.

Recent advancements in Graph Neural Networks have led to state-of-the-art performance on graph representation learning. However, the majority of existing works process directed graphs by symmetrization, which causes loss of directional information. To address this issue, we introduce the magnetic Laplacian, a discrete Schr\"odinger operator with magnetic field, which preserves edge directionality by encoding it into a complex phase with an electric charge parameter. By adopting a truncated variant of PageRank named Linear- Rank, we design and build a low-pass filter for homogeneous graphs and a high-pass filter for heterogeneous graphs. In this work, we propose a complex-valued graph convolutional network named Magnetic Graph Convolutional network (MGC). With the corresponding complex-valued techniques, we ensure our model will be degenerated into real-valued when the charge parameter is in specific values. We test our model on several graph datasets including directed homogeneous and heterogeneous graphs. The experimental results demonstrate that MGC is fast, powerful, and widely applicable.

Generative adversarial networks (GANs), a class of distribution-learning methods based on a two-player game between a generator and a discriminator, can generally be formulated as a minmax problem based on the variational representation of a divergence between the unknown and the generated distributions. We introduce structure-preserving GANs as a data-efficient framework for learning distributions with additional structure such as group symmetry, by developing new variational representations for divergences. Our theory shows that we can reduce the discriminator space to its projection on the invariant discriminator space, using the conditional expectation with respect to the $\sigma$-algebra associated to the underlying structure. In addition, we prove that the discriminator space reduction must be accompanied by a careful design of structured generators, as flawed designs may easily lead to a catastrophic "mode collapse" of the learned distribution. We contextualize our framework by building symmetry-preserving GANs for distributions with intrinsic group symmetry, and demonstrate that both players, namely the equivariant generator and invariant discriminator, play important but distinct roles in the learning process. Empirical experiments and ablation studies across a broad range of data sets, including real-world medical imaging, validate our theory, and show our proposed methods achieve significantly improved sample fidelity and diversity -- almost an order of magnitude measured in Fr\'echet Inception Distance -- especially in the small data regime.

This paper focuses on the expected difference in borrower's repayment when there is a change in the lender's credit decisions. Classical estimators overlook the confounding effects and hence the estimation error can be magnificent. As such, we propose another approach to construct the estimators such that the error can be greatly reduced. The proposed estimators are shown to be unbiased, consistent, and robust through a combination of theoretical analysis and numerical testing. Moreover, we compare the power of estimating the causal quantities between the classical estimators and the proposed estimators. The comparison is tested across a wide range of models, including linear regression models, tree-based models, and neural network-based models, under different simulated datasets that exhibit different levels of causality, different degrees of nonlinearity, and different distributional properties. Most importantly, we apply our approaches to a large observational dataset provided by a global technology firm that operates in both the e-commerce and the lending business. We find that the relative reduction of estimation error is strikingly substantial if the causal effects are accounted for correctly.

The aim of this work is to develop a fully-distributed algorithmic framework for training graph convolutional networks (GCNs). The proposed method is able to exploit the meaningful relational structure of the input data, which are collected by a set of agents that communicate over a sparse network topology. After formulating the centralized GCN training problem, we first show how to make inference in a distributed scenario where the underlying data graph is split among different agents. Then, we propose a distributed gradient descent procedure to solve the GCN training problem. The resulting model distributes computation along three lines: during inference, during back-propagation, and during optimization. Convergence to stationary solutions of the GCN training problem is also established under mild conditions. Finally, we propose an optimization criterion to design the communication topology between agents in order to match with the graph describing data relationships. A wide set of numerical results validate our proposal. To the best of our knowledge, this is the first work combining graph convolutional neural networks with distributed optimization.

Graph neural networks (GNNs) are a popular class of machine learning models whose major advantage is their ability to incorporate a sparse and discrete dependency structure between data points. Unfortunately, GNNs can only be used when such a graph-structure is available. In practice, however, real-world graphs are often noisy and incomplete or might not be available at all. With this work, we propose to jointly learn the graph structure and the parameters of graph convolutional networks (GCNs) by approximately solving a bilevel program that learns a discrete probability distribution on the edges of the graph. This allows one to apply GCNs not only in scenarios where the given graph is incomplete or corrupted but also in those where a graph is not available. We conduct a series of experiments that analyze the behavior of the proposed method and demonstrate that it outperforms related methods by a significant margin.

Quantum machine learning is expected to be one of the first potential general-purpose applications of near-term quantum devices. A major recent breakthrough in classical machine learning is the notion of generative adversarial training, where the gradients of a discriminator model are used to train a separate generative model. In this work and a companion paper, we extend adversarial training to the quantum domain and show how to construct generative adversarial networks using quantum circuits. Furthermore, we also show how to compute gradients -- a key element in generative adversarial network training -- using another quantum circuit. We give an example of a simple practical circuit ansatz to parametrize quantum machine learning models and perform a simple numerical experiment to demonstrate that quantum generative adversarial networks can be trained successfully.

This paper develops a general framework for learning interpretable data representation via Long Short-Term Memory (LSTM) recurrent neural networks over hierarchal graph structures. Instead of learning LSTM models over the pre-fixed structures, we propose to further learn the intermediate interpretable multi-level graph structures in a progressive and stochastic way from data during the LSTM network optimization. We thus call this model the structure-evolving LSTM. In particular, starting with an initial element-level graph representation where each node is a small data element, the structure-evolving LSTM gradually evolves the multi-level graph representations by stochastically merging the graph nodes with high compatibilities along the stacked LSTM layers. In each LSTM layer, we estimate the compatibility of two connected nodes from their corresponding LSTM gate outputs, which is used to generate a merging probability. The candidate graph structures are accordingly generated where the nodes are grouped into cliques with their merging probabilities. We then produce the new graph structure with a Metropolis-Hasting algorithm, which alleviates the risk of getting stuck in local optimums by stochastic sampling with an acceptance probability. Once a graph structure is accepted, a higher-level graph is then constructed by taking the partitioned cliques as its nodes. During the evolving process, representation becomes more abstracted in higher-levels where redundant information is filtered out, allowing more efficient propagation of long-range data dependencies. We evaluate the effectiveness of structure-evolving LSTM in the application of semantic object parsing and demonstrate its advantage over state-of-the-art LSTM models on standard benchmarks.