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The Solovay-Kitaev algorithm is a fundamental result in quantum computation. It gives an algorithm for efficiently compiling arbitrary unitaries using universal gate sets: any unitary can be approximated by short gates sequences, whose length scales merely poly-logarithmically with accuracy. As a consequence, the choice of gate set is typically unimportant in quantum computing. However, the Solovay-Kitaev algorithm requires the gate set to be inverse-closed. It has been a longstanding open question if efficient algorithmic compilation is possible without this condition. In this work, we provide the first inverse-free Solovay-Kitaev algorithm, which makes no assumption on the structure within a gate set beyond universality, answering this problem in the affirmative, and providing an efficient compilation algorithm in the absence of inverses for both $\text{SU}(d)$ and $\text{SL}(d, \mathbb{C})$. The algorithm works by showing that approximate gate implementations of the generalized Pauli group can self-correct their errors.

We consider a randomized controlled trial between two groups. The objective is to identify a population with characteristics such that the test therapy is more effective than the control therapy. Such a population is called a subgroup. This identification can be made by estimating the treatment effect and identifying interactions between treatments and covariates. To date, many methods have been proposed to identify subgroups for a single outcome. There are also multiple outcomes, but they are difficult to interpret and cannot be applied to outcomes other than continuous values. In this paper, we propose a multivariate regression method that introduces latent variables to estimate the treatment effect on multiple outcomes simultaneously. The proposed method introduces latent variables and adds Lasso sparsity constraints to the estimated loadings to facilitate the interpretation of the relationship between outcomes and covariates. The framework of the generalized linear model makes it applicable to various types of outcomes. Interpretation of subgroups is made by visualizing treatment effects and latent variables. This allows us to identify subgroups with characteristics that make the test therapy more effective for multiple outcomes. Simulation and real data examples demonstrate the effectiveness of the proposed method.

Demonstrating quantum advantage requires experimental implementation of a computational task that is hard to achieve using state-of-the-art classical systems. One approach is to perform sampling from a probability distribution associated with a class of highly entangled many-body wavefunctions. It has been suggested that this approach can be certified with the Linear Cross-Entropy Benchmark (XEB). We critically examine this notion. First, in a "benign" setting where an honest implementation of noisy quantum circuits is assumed, we characterize the conditions under which the XEB approximates the fidelity. Second, in an "adversarial" setting where all possible classical algorithms are considered for comparison, we show that achieving relatively high XEB values does not imply faithful simulation of quantum dynamics. We present an efficient classical algorithm that, with 1 GPU within 2s, yields high XEB values, namely 2-12% of those obtained in experiments. By identifying and exploiting several vulnerabilities of the XEB, we achieve high XEB values without full simulation of quantum circuits. Remarkably, our algorithm features better scaling with the system size than noisy quantum devices for commonly studied random circuit ensembles. To quantitatively explain the success of our algorithm and the limitations of the XEB, we use a theoretical framework in which the average XEB and fidelity are mapped to statistical models. We illustrate the relation between the XEB and the fidelity for quantum circuits in various architectures, with different gate choices, and in the presence of noise. Our results show that XEB's utility as a proxy for fidelity hinges on several conditions, which must be checked in the benign setting but cannot be assumed in the adversarial setting. Thus, the XEB alone has limited utility as a benchmark for quantum advantage. We discuss ways to overcome these limitations.

Several queries and scores have recently been proposed to explain individual predictions over ML models. Given the need for flexible, reliable, and easy-to-apply interpretability methods for ML models, we foresee the need for developing declarative languages to naturally specify different explainability queries. We do this in a principled way by rooting such a language in a logic, called FOIL, that allows for expressing many simple but important explainability queries, and might serve as a core for more expressive interpretability languages. We study the computational complexity of FOIL queries over two classes of ML models often deemed to be easily interpretable: decision trees and OBDDs. Since the number of possible inputs for an ML model is exponential in its dimension, the tractability of the FOIL evaluation problem is delicate but can be achieved by either restricting the structure of the models or the fragment of FOIL being evaluated. We also present a prototype implementation of FOIL wrapped in a high-level declarative language and perform experiments showing that such a language can be used in practice.

Policy gradient (PG) methods are popular reinforcement learning (RL) methods where a baseline is often applied to reduce the variance of gradient estimates. In multi-agent RL (MARL), although the PG theorem can be naturally extended, the effectiveness of multi-agent PG (MAPG) methods degrades as the variance of gradient estimates increases rapidly with the number of agents. In this paper, we offer a rigorous analysis of MAPG methods by, firstly, quantifying the contributions of the number of agents and agents' explorations to the variance of MAPG estimators. Based on this analysis, we derive the optimal baseline (OB) that achieves the minimal variance. In comparison to the OB, we measure the excess variance of existing MARL algorithms such as vanilla MAPG and COMA. Considering using deep neural networks, we also propose a surrogate version of OB, which can be seamlessly plugged into any existing PG methods in MARL. On benchmarks of Multi-Agent MuJoCo and StarCraft challenges, our OB technique effectively stabilises training and improves the performance of multi-agent PPO and COMA algorithms by a significant margin.

We describe the new field of mathematical analysis of deep learning. This field emerged around a list of research questions that were not answered within the classical framework of learning theory. These questions concern: the outstanding generalization power of overparametrized neural networks, the role of depth in deep architectures, the apparent absence of the curse of dimensionality, the surprisingly successful optimization performance despite the non-convexity of the problem, understanding what features are learned, why deep architectures perform exceptionally well in physical problems, and which fine aspects of an architecture affect the behavior of a learning task in which way. We present an overview of modern approaches that yield partial answers to these questions. For selected approaches, we describe the main ideas in more detail.

Graph Neural Networks (GNNs) have received considerable attention on graph-structured data learning for a wide variety of tasks. The well-designed propagation mechanism which has been demonstrated effective is the most fundamental part of GNNs. Although most of GNNs basically follow a message passing manner, litter effort has been made to discover and analyze their essential relations. In this paper, we establish a surprising connection between different propagation mechanisms with a unified optimization problem, showing that despite the proliferation of various GNNs, in fact, their proposed propagation mechanisms are the optimal solution optimizing a feature fitting function over a wide class of graph kernels with a graph regularization term. Our proposed unified optimization framework, summarizing the commonalities between several of the most representative GNNs, not only provides a macroscopic view on surveying the relations between different GNNs, but also further opens up new opportunities for flexibly designing new GNNs. With the proposed framework, we discover that existing works usually utilize naive graph convolutional kernels for feature fitting function, and we further develop two novel objective functions considering adjustable graph kernels showing low-pass or high-pass filtering capabilities respectively. Moreover, we provide the convergence proofs and expressive power comparisons for the proposed models. Extensive experiments on benchmark datasets clearly show that the proposed GNNs not only outperform the state-of-the-art methods but also have good ability to alleviate over-smoothing, and further verify the feasibility for designing GNNs with our unified optimization framework.

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.

In structure learning, the output is generally a structure that is used as supervision information to achieve good performance. Considering the interpretation of deep learning models has raised extended attention these years, it will be beneficial if we can learn an interpretable structure from deep learning models. In this paper, we focus on Recurrent Neural Networks (RNNs) whose inner mechanism is still not clearly understood. We find that Finite State Automaton (FSA) that processes sequential data has more interpretable inner mechanism and can be learned from RNNs as the interpretable structure. We propose two methods to learn FSA from RNN based on two different clustering methods. We first give the graphical illustration of FSA for human beings to follow, which shows the interpretability. From the FSA's point of view, we then analyze how the performance of RNNs are affected by the number of gates, as well as the semantic meaning behind the transition of numerical hidden states. Our results suggest that RNNs with simple gated structure such as Minimal Gated Unit (MGU) is more desirable and the transitions in FSA leading to specific classification result are associated with corresponding words which are understandable by human beings.

Active learning has long been a topic of study in machine learning. However, as increasingly complex and opaque models have become standard practice, the process of active learning, too, has become more opaque. There has been little investigation into interpreting what specific trends and patterns an active learning strategy may be exploring. This work expands on the Local Interpretable Model-agnostic Explanations framework (LIME) to provide explanations for active learning recommendations. We demonstrate how LIME can be used to generate locally faithful explanations for an active learning strategy, and how these explanations can be used to understand how different models and datasets explore a problem space over time. In order to quantify the per-subgroup differences in how an active learning strategy queries spatial regions, we introduce a notion of uncertainty bias (based on disparate impact) to measure the discrepancy in the confidence for a model's predictions between one subgroup and another. Using the uncertainty bias measure, we show that our query explanations accurately reflect the subgroup focus of the active learning queries, allowing for an interpretable explanation of what is being learned as points with similar sources of uncertainty have their uncertainty bias resolved. We demonstrate that this technique can be applied to track uncertainty bias over user-defined clusters or automatically generated clusters based on the source of uncertainty.