The quantum alternating operator ansatz (QAOA) is a heuristic hybrid quantum-classical algorithm for finding high-quality approximate solutions to combinatorial optimization problems, such as Maximum Satisfiability. While QAOA is well-studied, theoretical results as to its runtime or approximation ratio guarantees are still relatively sparse. We provide some of the first lower bounds for the number of rounds (the dominant component of QAOA runtimes) required for QAOA. For our main result, (i) we leverage a connection between quantum annealing times and the angles of QAOA to derive a lower bound on the number of rounds of QAOA with respect to the guaranteed approximation ratio. We apply and calculate this bound with Grover-style mixing unitaries and (ii) show that this type of QAOA requires at least a polynomial number of rounds to guarantee any constant approximation ratios for most problems. We also (iii) show that the bound depends only on the statistical values of the objective functions, and when the problem can be modeled as a $k$-local Hamiltonian, can be easily estimated from the coefficients of the Hamiltonians. For the conventional transverse field mixer, (iv) our framework gives a trivial lower bound to all bounded occurrence local cost problems and all strictly $k$-local cost Hamiltonians matching known results that constant approximation ratio is obtainable with constant round QAOA for a few optimization problems from these classes. Using our novel proof framework, (v) we recover the Grover lower bound for unstructured search and -- with small modification -- show that our bound applies to any QAOA-style search protocol that starts in the ground state of the mixing unitaries.
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Simulation-based calibration checking (SBC) is a practical method to validate computationally-derived posterior distributions or their approximations. In this paper, we introduce a new variant of SBC to alleviate several known problems. Our variant allows the user to in principle detect any possible issue with the posterior, while previously reported implementations could never detect large classes of problems including when the posterior is equal to the prior. This is made possible by including additional data-dependent test quantities when running SBC. We argue and demonstrate that the joint likelihood of the data is an especially useful test quantity. Some other types of test quantities and their theoretical and practical benefits are also investigated. We provide theoretical analysis of SBC, thereby providing a more complete understanding of the underlying statistical mechanisms. We also bring attention to a relatively common mistake in the literature and clarify the difference between SBC and checks based on the data-averaged posterior. We support our recommendations with numerical case studies on a multivariate normal example and a case study in implementing an ordered simplex data type for use with Hamiltonian Monte Carlo. The SBC variant introduced in this paper is implemented in the $\mathtt{SBC}$ R package.
Partially observable Markov decision processes (POMDPs) provide a flexible representation for real-world decision and control problems. However, POMDPs are notoriously difficult to solve, especially when the state and observation spaces are continuous or hybrid, which is often the case for physical systems. While recent online sampling-based POMDP algorithms that plan with observation likelihood weighting have shown practical effectiveness, a general theory characterizing the approximation error of the particle filtering techniques that these algorithms use has not previously been proposed. Our main contribution is bounding the error between any POMDP and its corresponding finite sample particle belief MDP (PB-MDP) approximation. This fundamental bridge between PB-MDPs and POMDPs allows us to adapt any sampling-based MDP algorithm to a POMDP by solving the corresponding particle belief MDP, thereby extending the convergence guarantees of the MDP algorithm to the POMDP. Practically, this is implemented by using the particle filter belief transition model as the generative model for the MDP solver. While this requires access to the observation density model from the POMDP, it only increases the transition sampling complexity of the MDP solver by a factor of $\mathcal{O}(C)$, where $C$ is the number of particles. Thus, when combined with sparse sampling MDP algorithms, this approach can yield algorithms for POMDPs that have no direct theoretical dependence on the size of the state and observation spaces. In addition to our theoretical contribution, we perform five numerical experiments on benchmark POMDPs to demonstrate that a simple MDP algorithm adapted using PB-MDP approximation, Sparse-PFT, achieves performance competitive with other leading continuous observation POMDP solvers.
When applying deep learning to remote sensing data in archaeological research, a notable obstacle is the limited availability of suitable datasets for training models. The application of transfer learning is frequently employed to mitigate this drawback. However, there is still a need to explore its effectiveness when applied across different archaeological datasets. This paper compares the performance of various transfer learning configurations using two semantic segmentation deep neural networks on two LiDAR datasets. The experimental results indicate that transfer learning-based approaches in archaeology can lead to performance improvements, although a systematic enhancement has not yet been observed. We provide specific insights about the validity of such techniques that can serve as a baseline for future works.
Adiabatic quantum computing (AQC) is a promising quantum computing approach for discrete and often NP-hard optimization problems. Current AQCs allow to implement problems of research interest, which has sparked the development of quantum representations for many machine learning and computer vision tasks. Despite requiring multiple measurements from the noisy AQC, current approaches only utilize the best measurement, discarding information contained in the remaining ones. In this work, we explore the potential of using this information for probabilistic balanced k-means clustering. Instead of discarding non-optimal solutions, we propose to use them to compute calibrated posterior probabilities with little additional compute cost. This allows us to identify ambiguous solutions and data points, which we demonstrate on a D-Wave AQC on synthetic and real data.
Behavioural metrics provide a quantitative refinement of classical two-valued behavioural equivalences on systems with quantitative data, such as metric or probabilistic transition systems. In analogy to the linear-time/branching-time spectrum of two-valued behavioural equivalences on transition systems, behavioural metrics vary in granularity. We provide a unifying treatment of spectra of behavioural metrics in the emerging framework of graded monads, working in coalgebraic generality, that is, parametrically in the system type. In the ensuing development of quantitative graded semantics, we introduce algebraic presentations of graded monads on the category of metric spaces. Moreover, we obtain a canonical generic notion of invariant real-valued modal logic, and provide criteria for such logics to be expressive in the sense that logical distance coincides with behavioural distance. We present positive examples based on this criterion, covering both known and new expressiveness results; in particular, we show that expressiveness holds essentially always for Eilenberg-Moore type trace semantics, and we obtain a new expressiveness result for trace semantics of fuzzy transition systems. As a negative result, we show that trace distance on probabilistic metric transition systems does not admit any characteristic real-valued modal logic, even in a more broadly understood sense.
Data contamination has become prevalent and challenging with the rise of models pretrained on large automatically-crawled corpora. For closed models, the training data becomes a trade secret, and even for open models, it is not trivial to detect contamination. Strategies such as leaderboards with hidden answers, or using test data which is guaranteed to be unseen, are expensive and become fragile with time. Assuming that all relevant actors value clean test data and will cooperate to mitigate data contamination, what can be done? We propose three strategies that can make a difference: (1) Test data made public should be encrypted with a public key and licensed to disallow derivative distribution; (2) demand training exclusion controls from closed API holders, and protect your test data by refusing to evaluate without them; (3) avoid data which appears with its solution on the internet, and release the web-page context of internet-derived data along with the data. These strategies are practical and can be effective in preventing data contamination.
We investigate the randomized and quantum communication complexities of the well-studied Equality function with small error probability $\epsilon$, getting optimal constant factors in the leading terms in a number of different models. In the randomized model, 1) we give a general technique to convert public-coin protocols to private-coin protocols by incurring a small multiplicative error, at a small additive cost. This is an improvement over Newman's theorem [Inf. Proc. Let.'91] in the dependence on the error parameter. 2) Using this we obtain a $(\log(n/\epsilon^2)+4)$-cost private-coin communication protocol that computes the $n$-bit Equality function, to error $\epsilon$. This improves upon the $\log(n/\epsilon^3)+O(1)$ upper bound implied by Newman's theorem, and matches the best known lower bound, which follows from Alon [Comb. Prob. Comput.'09], up to an additive $\log\log(1/\epsilon)+O(1)$. In the quantum model, 1) we exhibit a one-way protocol of cost $\log(n/\epsilon)+4$, that uses only pure states and computes the $n$-bit Equality function to error $\epsilon$. This bound was implicitly already shown by Nayak [PhD thesis'99]. 2) We show that any $\epsilon$-error one-way protocol for $n$-bit Equality that uses only pure states communicates at least $\log(n/\epsilon)-\log\log(1/\epsilon)-O(1)$ qubits. 3) We exhibit a one-way protocol of cost $\log(\sqrt{n}/\epsilon)+3$, that uses mixed states and computes the $n$-bit Equality function to error $\epsilon$. This is also tight up to an additive $\log\log(1/\epsilon)+O(1)$, which follows from Alon's result. 4) We study the number of EPR pairs required to be shared in an entanglement-assisted one-way protocol. Our upper bounds also yield upper bounds on the approximate rank and related measures of the Identity matrix.
Recently, machine learning of the branch and bound algorithm has shown promise in approximating competent solutions to NP-hard problems. In this paper, we utilize and comprehensively compare the outcomes of three neural networks--graph convolutional neural network (GCNN), GraphSAGE, and graph attention network (GAT)--to solve the capacitated vehicle routing problem. We train these neural networks to emulate the decision-making process of the computationally expensive Strong Branching strategy. The neural networks are trained on six instances with distinct topologies from the CVRPLIB and evaluated on eight additional instances. Moreover, we reduced the minimum number of vehicles required to solve a CVRP instance to a bin-packing problem, which was addressed in a similar manner. Through rigorous experimentation, we found that this approach can match or improve upon the performance of the branch and bound algorithm with the Strong Branching strategy while requiring significantly less computational time. The source code that corresponds to our research findings and methodology is readily accessible and available for reference at the following web address: //isotlaboratory.github.io/ml4vrp
Stochastic collocation (SC) is a well-known non-intrusive method of constructing surrogate models for uncertainty quantification. In dynamical systems, SC is especially suited for full-field uncertainty propagation that characterizes the distributions of the high-dimensional primary solution fields of a model with stochastic input parameters. However, due to the highly nonlinear nature of the parameter-to-solution map in even the simplest dynamical systems, the constructed SC surrogates are often inaccurate. This work presents an alternative approach, where we apply the SC approximation over the dynamics of the model, rather than the solution. By combining the data-driven sparse identification of nonlinear dynamics (SINDy) framework with SC, we construct dynamics surrogates and integrate them through time to construct the surrogate solutions. We demonstrate that the SC-over-dynamics framework leads to smaller errors, both in terms of the approximated system trajectories as well as the model state distributions, when compared against full-field SC applied to the solutions directly. We present numerical evidence of this improvement using three test problems: a chaotic ordinary differential equation, and two partial differential equations from solid mechanics.
As soon as abstract mathematical computations were adapted to computation on digital computers, the problem of efficient representation, manipulation, and communication of the numerical values in those computations arose. Strongly related to the problem of numerical representation is the problem of quantization: in what manner should a set of continuous real-valued numbers be distributed over a fixed discrete set of numbers to minimize the number of bits required and also to maximize the accuracy of the attendant computations? This perennial problem of quantization is particularly relevant whenever memory and/or computational resources are severely restricted, and it has come to the forefront in recent years due to the remarkable performance of Neural Network models in computer vision, natural language processing, and related areas. Moving from floating-point representations to low-precision fixed integer values represented in four bits or less holds the potential to reduce the memory footprint and latency by a factor of 16x; and, in fact, reductions of 4x to 8x are often realized in practice in these applications. Thus, it is not surprising that quantization has emerged recently as an important and very active sub-area of research in the efficient implementation of computations associated with Neural Networks. In this article, we survey approaches to the problem of quantizing the numerical values in deep Neural Network computations, covering the advantages/disadvantages of current methods. With this survey and its organization, we hope to have presented a useful snapshot of the current research in quantization for Neural Networks and to have given an intelligent organization to ease the evaluation of future research in this area.
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