Works in quantum machine learning (QML) over the past few years indicate that QML algorithms can function just as well as their classical counterparts, and even outperform them in some cases. Among the corpus of recent work, many current QML models take advantage of variational quantum algorithm (VQA) circuits, given that their scale is typically small enough to be compatible with NISQ devices and the method of automatic differentiation for optimizing circuit parameters is familiar to machine learning (ML). While the results bear interesting promise for an era when quantum machines are more readily accessible, if one can achieve similar results through non-quantum methods then there may be a more near-term advantage available to practitioners. To this end, the nature of this work is to investigate the utilization of stochastic methods inspired by a variational quantum version of the long short-term memory (LSTM) model in an attempt to approach the reported successes in performance and rapid convergence. By analyzing the performance of classical, stochastic, and quantum methods, this work aims to elucidate if it is possible to achieve some of QML's major reported benefits on classical machines by incorporating aspects of its stochasticity.
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The past decade has seen considerable progress in quantum hardware in terms of the speed, number of qubits and quantum volume which is defined as the maximum size of a quantum circuit that can be effectively implemented on a near-term quantum device. Consequently, there has also been a rise in the number of works based on the applications of Quantum Machine Learning (QML) on real hardware to attain quantum advantage over their classical counterparts. In this survey, our primary focus is on selected supervised and unsupervised learning applications implemented on quantum hardware, specifically targeting real-world scenarios. Our survey explores and highlights the current limitations of QML implementations on quantum hardware. We delve into various techniques to overcome these limitations, such as encoding techniques, ansatz structure, error mitigation, and gradient methods. Additionally, we assess the performance of these QML implementations in comparison to their classical counterparts. Finally, we conclude our survey with a discussion on the existing bottlenecks associated with applying QML on real quantum devices and propose potential solutions for overcoming these challenges in the future.
The Makespan Scheduling problem is an extensively studied NP-hard problem, and its simplest version looks for an allocation approach for a set of jobs with deterministic processing times to two identical machines such that the makespan is minimized. However, in real life scenarios, the actual processing time of each job may be stochastic around the expected value with a variance, under the influence of external factors, and the actual processing times of these jobs may be correlated with covariances. Thus within this paper, we propose a chance-constrained version of the Makespan Scheduling problem and investigate the theoretical performance of the classical Randomized Local Search and (1+1) EA for it. More specifically, we first study two variants of the Chance-constrained Makespan Scheduling problem and their computational complexities, then separately analyze the expected runtime of the two algorithms to obtain an optimal solution or almost optimal solution to the instances of the two variants. In addition, we investigate the experimental performance of the two algorithms for the two variants.
Profile likelihoods are rarely used in geostatistical models due to the computational burden imposed by repeated decompositions of large variance matrices. Accounting for uncertainty in covariance parameters can be highly consequential in geostatistical models as some covariance parameters are poorly identified, the problem is severe enough that the differentiability parameter of the Matern correlation function is typically treated as fixed. The problem is compounded with anisotropic spatial models as there are two additional parameters to consider. In this paper, we make the following contributions: 1, A methodology is created for profile likelihoods for Gaussian spatial models with Mat\'ern family of correlation functions, including anisotropic models. This methodology adopts a novel reparametrization for generation of representative points, and uses GPUs for parallel profile likelihoods computation in software implementation. 2, We show the profile likelihood of the Mat\'ern shape parameter is often quite flat but still identifiable, it can usually rule out very small values. 3, Simulation studies and applications on real data examples show that profile-based confidence intervals of covariance parameters and regression parameters have superior coverage to the traditional standard Wald type confidence intervals.
Understanding superfluidity remains a major goal of condensed matter physics. Here we tackle this challenge utilizing the recently developed Fermionic neural network (FermiNet) wave function Ansatz for variational Monte Carlo calculations. We study the unitary Fermi gas, a system with strong, short-range, two-body interactions known to possess a superfluid ground state but difficult to describe quantitatively. We demonstrate key limitations of the FermiNet Ansatz in studying the unitary Fermi gas and propose a simple modification that outperforms the original FermiNet significantly, giving highly accurate results. We prove mathematically that the new Ansatz, which only differs from the original Ansatz by the method of antisymmetrization, is a strict generalization of the original FermiNet architecture, despite the use of fewer parameters. Our approach shares several advantages with the FermiNet: the use of a neural network removes the need for an underlying basis set; and the flexibility of the network yields extremely accurate results within a variational quantum Monte Carlo framework that provides access to unbiased estimates of arbitrary ground-state expectation values. We discuss how the method can be extended to study other superfluids.
With the advent of novel quantum computing technologies, and the knowledge that such technology might be used to fundamentally change computing applications, a prime opportunity has presented itself to investigate the practical application quantum computing. The goal of this research is to consider one of the most basic forms of mechanical structure, namely a 2D system of truss elements, and find a method by which such a structure can be optimized using quantum annealing. The optimization will entail a discrete truss sizing problem - to select the best size for each truss member so as to minimize a stress-based objective function. To make this problem compatible with quantum annealing devices, it will be written in a QUBO format. This work is focused on exploring the feasibility of making this translation, and investigating the practicality of using a quantum annealer for structural optimization problems. Using the methods described, it is found that it is possible to translate this traditional engineering problem to a QUBO form and have it solved by a quantum annealer. However, scaling the method to larger truss systems faces some challenges that would require further research to address.
In this paper, we present a stochastic gradient algorithm for minimizing a smooth objective function that is an expectation over noisy cost samples, and only the latter are observed for any given parameter. Our algorithm employs a gradient estimation scheme with random perturbations, which are formed using the truncated Cauchy distribution from the delta sphere. We analyze the bias and variance of the proposed gradient estimator. Our algorithm is found to be particularly useful in the case when the objective function is non-convex, and the parameter dimension is high. From an asymptotic convergence analysis, we establish that our algorithm converges almost surely to the set of stationary points of the objective function and obtains the asymptotic convergence rate. We also show that our algorithm avoids unstable equilibria, implying convergence to local minima. Further, we perform a non-asymptotic convergence analysis of our algorithm. In particular, we establish here a non-asymptotic bound for finding an epsilon-stationary point of the non-convex objective function. Finally, we demonstrate numerically through simulations that the performance of our algorithm outperforms GSF, SPSA, and RDSA by a significant margin over a few non-convex settings and further validate its performance over convex (noisy) objectives.
The generalization mystery in deep learning is the following: Why do over-parameterized neural networks trained with gradient descent (GD) generalize well on real datasets even though they are capable of fitting random datasets of comparable size? Furthermore, from among all solutions that fit the training data, how does GD find one that generalizes well (when such a well-generalizing solution exists)? We argue that the answer to both questions lies in the interaction of the gradients of different examples during training. Intuitively, if the per-example gradients are well-aligned, that is, if they are coherent, then one may expect GD to be (algorithmically) stable, and hence generalize well. We formalize this argument with an easy to compute and interpretable metric for coherence, and show that the metric takes on very different values on real and random datasets for several common vision networks. The theory also explains a number of other phenomena in deep learning, such as why some examples are reliably learned earlier than others, why early stopping works, and why it is possible to learn from noisy labels. Moreover, since the theory provides a causal explanation of how GD finds a well-generalizing solution when one exists, it motivates a class of simple modifications to GD that attenuate memorization and improve generalization. Generalization in deep learning is an extremely broad phenomenon, and therefore, it requires an equally general explanation. We conclude with a survey of alternative lines of attack on this problem, and argue that the proposed approach is the most viable one on this basis.
In the past decade, we have witnessed the rise of deep learning to dominate the field of artificial intelligence. Advances in artificial neural networks alongside corresponding advances in hardware accelerators with large memory capacity, together with the availability of large datasets enabled researchers and practitioners alike to train and deploy sophisticated neural network models that achieve state-of-the-art performance on tasks across several fields spanning computer vision, natural language processing, and reinforcement learning. However, as these neural networks become bigger, more complex, and more widely used, fundamental problems with current deep learning models become more apparent. State-of-the-art deep learning models are known to suffer from issues that range from poor robustness, inability to adapt to novel task settings, to requiring rigid and inflexible configuration assumptions. Ideas from collective intelligence, in particular concepts from complex systems such as self-organization, emergent behavior, swarm optimization, and cellular systems tend to produce solutions that are robust, adaptable, and have less rigid assumptions about the environment configuration. It is therefore natural to see these ideas incorporated into newer deep learning methods. In this review, we will provide a historical context of neural network research's involvement with complex systems, and highlight several active areas in modern deep learning research that incorporate the principles of collective intelligence to advance its current capabilities. To facilitate a bi-directional flow of ideas, we also discuss work that utilize modern deep learning models to help advance complex systems research. We hope this review can serve as a bridge between complex systems and deep learning communities to facilitate the cross pollination of ideas and foster new collaborations across disciplines.
Over the past few years, we have seen fundamental breakthroughs in core problems in machine learning, largely driven by advances in deep neural networks. At the same time, the amount of data collected in a wide array of scientific domains is dramatically increasing in both size and complexity. Taken together, this suggests many exciting opportunities for deep learning applications in scientific settings. But a significant challenge to this is simply knowing where to start. The sheer breadth and diversity of different deep learning techniques makes it difficult to determine what scientific problems might be most amenable to these methods, or which specific combination of methods might offer the most promising first approach. In this survey, we focus on addressing this central issue, providing an overview of many widely used deep learning models, spanning visual, sequential and graph structured data, associated tasks and different training methods, along with techniques to use deep learning with less data and better interpret these complex models --- two central considerations for many scientific use cases. We also include overviews of the full design process, implementation tips, and links to a plethora of tutorials, research summaries and open-sourced deep learning pipelines and pretrained models, developed by the community. We hope that this survey will help accelerate the use of deep learning across different scientific domains.
This paper surveys the machine learning literature and presents machine learning as optimization models. Such models can benefit from the advancement of numerical optimization techniques which have already played a distinctive role in several machine learning settings. Particularly, mathematical optimization models are presented for commonly used machine learning approaches for regression, classification, clustering, and deep neural networks as well new emerging applications in machine teaching and empirical model learning. The strengths and the shortcomings of these models are discussed and potential research directions are highlighted.
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