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The monotone variational inequality is a central problem in mathematical programming that unifies and generalizes many important settings such as smooth convex optimization, two-player zero-sum games, convex-concave saddle point problems, etc. The extragradient method by Korpelevich [1976] is one of the most popular methods for solving monotone variational inequalities. Despite its long history and intensive attention from the optimization and machine learning community, the following major problem remains open. What is the last-iterate convergence rate of the extragradient method for monotone and Lipschitz variational inequalities with constraints? We resolve this open problem by showing a tight $O\left(\frac{1}{\sqrt{T}}\right)$ last-iterate convergence rate for arbitrary convex feasible sets, which matches the lower bound by Golowich et al. [2020]. Our rate is measured in terms of the standard gap function. The technical core of our result is the monotonicity of a new performance measure -- the tangent residual, which can be viewed as an adaptation of the norm of the operator that takes the local constraints into account. To establish the monotonicity, we develop a new approach that combines the power of the sum-of-squares programming with the low dimensionality of the update rule of the extragradient method. We believe our approach has many additional applications in the analysis of iterative methods.

Existing quantum compilers optimize quantum circuits by applying circuit transformations designed by experts. This approach requires significant manual effort to design and implement circuit transformations for different quantum devices, which use different gate sets, and can miss optimizations that are hard to find manually. We propose Quartz, a quantum circuit superoptimizer that automatically generates and verifies circuit transformations for arbitrary quantum gate sets. For a given gate set, Quartz generates candidate circuit transformations by systematically exploring small circuits and verifies the discovered transformations using an automated theorem prover. To optimize a quantum circuit, Quartz uses a cost-based backtracking search that applies the verified transformations to the circuit. Our evaluation on three popular gate sets shows that Quartz can effectively generate and verify transformations for different gate sets. The generated transformations cover manually designed transformations used by existing optimizers and also include new transformations. Quartz is therefore able to optimize a broad range of circuits for diverse gate sets, outperforming or matching the performance of hand-tuned circuit optimizers.

Continuous-time measurements are instrumental for a multitude of tasks in quantum engineering and quantum control, including the estimation of dynamical parameters of open quantum systems monitored through the environment. However, such measurements do not extract the maximum amount of information available in the output state, so finding alternative optimal measurement strategies is a major open problem. In this paper we solve this problem in the setting of discrete-time input-output quantum Markov chains. We present an efficient algorithm for optimal estimation of one-dimensional dynamical parameters which consists of an iterative procedure for updating a `measurement filter' operator and determining successive measurement bases for the output units. A key ingredient of the scheme is the use of a coherent quantum absorber as a way to post-process the output after the interaction with the system. This is designed adaptively such that the joint system and absorber stationary state is pure at a reference parameter value. The scheme offers an exciting prospect for optimal continuous-time adaptive measurements, but more work is needed to find realistic practical implementations.

We study online convex optimization with switching costs, a practically important but also extremely challenging problem due to the lack of complete offline information. By tapping into the power of machine learning (ML) based optimizers, ML-augmented online algorithms (also referred to as expert calibration in this paper) have been emerging as state of the art, with provable worst-case performance guarantees. Nonetheless, by using the standard practice of training an ML model as a standalone optimizer and plugging it into an ML-augmented algorithm, the average cost performance can be even worse than purely using ML predictions. In order to address the "how to learn" challenge, we propose EC-L2O (expert-calibrated learning to optimize), which trains an ML-based optimizer by explicitly taking into account the downstream expert calibrator. To accomplish this, we propose a new differentiable expert calibrator that generalizes regularized online balanced descent and offers a provably better competitive ratio than pure ML predictions when the prediction error is large. For training, our loss function is a weighted sum of two different losses -- one minimizing the average ML prediction error for better robustness, and the other one minimizing the post-calibration average cost. We also provide theoretical analysis for EC-L2O, highlighting that expert calibration can be even beneficial for the average cost performance and that the high-percentile tail ratio of the cost achieved by EC-L2O to that of the offline optimal oracle (i.e., tail cost ratio) can be bounded. Finally, we test EC-L2O by running simulations for sustainable datacenter demand response. Our results demonstrate that EC-L2O can empirically achieve a lower average cost as well as a lower competitive ratio than the existing baseline algorithms.

There has been an arising trend of adopting deep learning methods to study partial differential equations (PDEs). This article is to propose a Deep Learning Galerkin Method (DGM) for the closed-loop geothermal system, which is a new coupled multi-physics PDEs and mainly consists of a framework of underground heat exchange pipelines to extract the geothermal heat from the geothermal reservoir. This method is a natural combination of Galerkin Method and machine learning with the solution approximated by a neural network instead of a linear combination of basis functions. We train the neural network by randomly sampling the spatiotemporal points and minimize loss function to satisfy the differential operators, initial condition, boundary and interface conditions. Moreover, the approximate ability of the neural network is proved by the convergence of the loss function and the convergence of the neural network to the exact solution in L^2 norm under certain conditions. Finally, some numerical examples are carried out to demonstrate the approximation ability of the neural networks intuitively.

Active learning is a promising alternative to alleviate the issue of high annotation cost in the computer vision tasks by consciously selecting more informative samples to label. Active learning for object detection is more challenging and existing efforts on it are relatively rare. In this paper, we propose a novel hybrid approach to address this problem, where the instance-level uncertainty and diversity are jointly considered in a bottom-up manner. To balance the computational complexity, the proposed approach is designed as a two-stage procedure. At the first stage, an Entropy-based Non-Maximum Suppression (ENMS) is presented to estimate the uncertainty of every image, which performs NMS according to the entropy in the feature space to remove predictions with redundant information gains. At the second stage, a diverse prototype (DivProto) strategy is explored to ensure the diversity across images by progressively converting it into the intra-class and inter-class diversities of the entropy-based class-specific prototypes. Extensive experiments are conducted on MS COCO and Pascal VOC, and the proposed approach achieves state of the art results and significantly outperforms the other counterparts, highlighting its superiority.

Recent decades, the emergence of numerous novel algorithms makes it a gimmick to propose an intelligent optimization system based on metaphor, and hinders researchers from exploring the essence of search behavior in algorithms. However, it is difficult to directly discuss the search behavior of an intelligent optimization algorithm, since there are so many kinds of intelligent schemes. To address this problem, an intelligent optimization system is regarded as a simulated physical optimization system in this paper. The dynamic search behavior of such a simplified physical optimization system are investigated with quantum theory. To achieve this goal, the Schroedinger equation is employed as the dynamics equation of the optimization algorithm, which is used to describe dynamic search behaviours in the evolution process with quantum theory. Moreover, to explore the basic behaviour of the optimization system, the optimization problem is assumed to be decomposed and approximated. Correspondingly, the basic search behaviour is derived, which constitutes the basic iterative process of a simple optimization system. The basic iterative process is compared with some classical bare-bones schemes to verify the similarity of search behavior under different metaphors. The search strategies of these bare bones algorithms are analyzed through experiments.

Proactive dialogue system is able to lead the conversation to a goal topic and has advantaged potential in bargain, persuasion and negotiation. Current corpus-based learning manner limits its practical application in real-world scenarios. To this end, we contribute to advance the study of the proactive dialogue policy to a more natural and challenging setting, i.e., interacting dynamically with users. Further, we call attention to the non-cooperative user behavior -- the user talks about off-path topics when he/she is not satisfied with the previous topics introduced by the agent. We argue that the targets of reaching the goal topic quickly and maintaining a high user satisfaction are not always converge, because the topics close to the goal and the topics user preferred may not be the same. Towards this issue, we propose a new solution named I-Pro that can learn Proactive policy in the Interactive setting. Specifically, we learn the trade-off via a learned goal weight, which consists of four factors (dialogue turn, goal completion difficulty, user satisfaction estimation, and cooperative degree). The experimental results demonstrate I-Pro significantly outperforms baselines in terms of effectiveness and interpretability.

This book develops an effective theory approach to understanding deep neural networks of practical relevance. Beginning from a first-principles component-level picture of networks, we explain how to determine an accurate description of the output of trained networks by solving layer-to-layer iteration equations and nonlinear learning dynamics. A main result is that the predictions of networks are described by nearly-Gaussian distributions, with the depth-to-width aspect ratio of the network controlling the deviations from the infinite-width Gaussian description. We explain how these effectively-deep networks learn nontrivial representations from training and more broadly analyze the mechanism of representation learning for nonlinear models. From a nearly-kernel-methods perspective, we find that the dependence of such models' predictions on the underlying learning algorithm can be expressed in a simple and universal way. To obtain these results, we develop the notion of representation group flow (RG flow) to characterize the propagation of signals through the network. By tuning networks to criticality, we give a practical solution to the exploding and vanishing gradient problem. We further explain how RG flow leads to near-universal behavior and lets us categorize networks built from different activation functions into universality classes. Altogether, we show that the depth-to-width ratio governs the effective model complexity of the ensemble of trained networks. By using information-theoretic techniques, we estimate the optimal aspect ratio at which we expect the network to be practically most useful and show how residual connections can be used to push this scale to arbitrary depths. With these tools, we can learn in detail about the inductive bias of architectures, hyperparameters, and optimizers.

Graph Neural Networks (GNNs), which generalize deep neural networks to graph-structured data, have drawn considerable attention and achieved state-of-the-art performance in numerous graph related tasks. However, existing GNN models mainly focus on designing graph convolution operations. The graph pooling (or downsampling) operations, that play an important role in learning hierarchical representations, are usually overlooked. In this paper, we propose a novel graph pooling operator, called Hierarchical Graph Pooling with Structure Learning (HGP-SL), which can be integrated into various graph neural network architectures. HGP-SL incorporates graph pooling and structure learning into a unified module to generate hierarchical representations of graphs. More specifically, the graph pooling operation adaptively selects a subset of nodes to form an induced subgraph for the subsequent layers. To preserve the integrity of graph's topological information, we further introduce a structure learning mechanism to learn a refined graph structure for the pooled graph at each layer. By combining HGP-SL operator with graph neural networks, we perform graph level representation learning with focus on graph classification task. Experimental results on six widely used benchmarks demonstrate the effectiveness of our proposed model.