Deep learning (DL) models for spatio-temporal traffic flow forecasting employ convolutional or graph-convolutional filters along with recurrent neural networks to capture spatial and temporal dependencies in traffic data. These models, such as CNN-LSTM, utilize traffic flows from neighboring detector stations to predict flows at a specific location of interest. However, these models are limited in their ability to capture the broader dynamics of the traffic system, as they primarily learn features specific to the detector configuration and traffic characteristics at the target location. Hence, the transferability of these models to different locations becomes challenging, particularly when data is unavailable at the new location for model training. To address this limitation, we propose a traffic flow physics-based feature transformation for spatio-temporal DL models. This transformation incorporates Newell's uncongested and congested-state estimators of traffic flows at the target locations, enabling the models to learn broader dynamics of the system. Our methodology is empirically validated using traffic data from two different locations. The results demonstrate that the proposed feature transformation improves the models' performance in predicting traffic flows over different prediction horizons, as indicated by better goodness-of-fit statistics. An important advantage of our framework is its ability to be transferred to new locations where data is unavailable. This is achieved by appropriately accounting for spatial dependencies based on station distances and various traffic parameters. In contrast, regular DL models are not easily transferable as their inputs remain fixed. It should be noted that due to data limitations, we were unable to perform spatial sensitivity analysis, which calls for further research using simulated data.
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Large machine learning models are revolutionary technologies of artificial intelligence whose bottlenecks include huge computational expenses, power, and time used both in the pre-training and fine-tuning process. In this work, we show that fault-tolerant quantum computing could possibly provide provably efficient resolutions for generic (stochastic) gradient descent algorithms, scaling as $\mathcal{O}(T^2 \times \text{polylog}(n))$, where $n$ is the size of the models and $T$ is the number of iterations in the training, as long as the models are both sufficiently dissipative and sparse, with small learning rates. Based on earlier efficient quantum algorithms for dissipative differential equations, we find and prove that similar algorithms work for (stochastic) gradient descent, the primary algorithm for machine learning. In practice, we benchmark instances of large machine learning models from 7 million to 103 million parameters. We find that, in the context of sparse training, a quantum enhancement is possible at the early stage of learning after model pruning, motivating a sparse parameter download and re-upload scheme. Our work shows solidly that fault-tolerant quantum algorithms could potentially contribute to most state-of-the-art, large-scale machine-learning problems.
Causal machine learning (ML) algorithms recover graphical structures that tell us something about cause-and-effect relationships. The causal representation praovided by these algorithms enables transparency and explainability, which is necessary for decision making in critical real-world problems. Yet, causal ML has had limited impact in practice compared to associational ML. This paper investigates the challenges of causal ML with application to COVID-19 UK pandemic data. We collate data from various public sources and investigate what the various structure learning algorithms learn from these data. We explore the impact of different data formats on algorithms spanning different classes of learning, and assess the results produced by each algorithm, and groups of algorithms, in terms of graphical structure, model dimensionality, sensitivity analysis, confounding variables, predictive and interventional inference. We use these results to highlight open problems in causal structure learning and directions for future research. To facilitate future work, we make all graphs, models, data sets, and source code publicly available online.
In this work, a Cole-Hopf transformation based fourth-order multiple-relaxation-time lattice Boltzmann (MRT-LB) model for d-dimensional coupled Burgers' equations is developed. We first adopt the Cole-Hopf transformation where an intermediate variable \theta is introduced to eliminate the nonlinear convection terms in the Burgers' equations on the velocity u=(u_1,u_2,...,u_d). In this case, a diffusion equation on the variable \theta can be obtained, and particularly, the velocity u in the coupled Burgers' equations is determined by the variable \theta and its gradient term \nabla\theta. Then we develop a general MRT-LB model with the natural moments for the d-dimensional transformed diffusion equation and present the corresponding macroscopic finite-difference scheme. At the diffusive scaling, the fourth-order modified equation of the developed MRT-LB model is derived through the Maxwell iteration method. With the aid of the free parameters in the MRT-LB model, we find that not only the consistent fourth-order modified equation can be obtained, but also the gradient term $\nabla\theta$ can be calculated locally by the non-equilibrium distribution function with a fourth-order accuracy, this indicates that theoretically, the MRT-LB model for $d$-dimensional coupled Burgers' equations can achieve a fourth-order accuracy in space. Finally, some simulations are conducted to test the MRT-LB model, and the numerical results show that the proposed MRT-LB model has a fourth-order convergence rate, which is consistent with our theoretical analysis.
Recently, quantum computing experiments have for the first time exceeded the capability of classical computers to perform certain computations -- a milestone termed "quantum computational advantage." However, verifying the output of the quantum device in these experiments required extremely large classical computations. An exciting next step for demonstrating quantum capability would be to implement tests of quantum computational advantage with efficient classical verification, such that larger system sizes can be tested and verified. One of the first proposals for an efficiently-verifiable test of quantumness consists of hiding a secret classical bitstring inside a circuit of the class IQP, in such a way that samples from the circuit's output distribution are correlated with the secret (arXiv:0809.0847). The classical hardness of this protocol has been supported by evidence that directly simulating IQP circuits is hard, but the security of the protocol against other (non-simulating) classical attacks has remained an open question. In this work we demonstrate that the protocol is not secure against classical forgery. We describe a classical algorithm that can not only convince the verifier that the (classical) prover is quantum, but can in fact can extract the secret key underlying a given protocol instance. Furthermore, we show that the key extraction algorithm is efficient in practice for problem sizes of hundreds of qubits. Finally, we provide an implementation of the algorithm, and give the secret vector underlying the "$25 challenge" posted online by the authors of the original paper.
Stochastic optimization methods have been hugely successful in making large-scale optimization problems feasible when computing the full gradient is computationally prohibitive. Using the theory of modified equations for numerical integrators, we propose a class of stochastic differential equations that approximate the dynamics of general stochastic optimization methods more closely than the original gradient flow. Analyzing a modified stochastic differential equation can reveal qualitative insights about the associated optimization method. Here, we study mean-square stability of the modified equation in the case of stochastic coordinate descent.
This work considers Bayesian experimental design for the inverse boundary value problem of linear elasticity in a two-dimensional setting. The aim is to optimize the positions of compactly supported pressure activations on the boundary of the examined body in order to maximize the value of the resulting boundary deformations as data for the inverse problem of reconstructing the Lam\'e parameters inside the object. We resort to a linearized measurement model and adopt the framework of Bayesian experimental design, under the assumption that the prior and measurement noise distributions are mutually independent Gaussians. This enables the use of the standard Bayesian A-optimality criterion for deducing optimal positions for the pressure activations. The (second) derivatives of the boundary measurements with respect to the Lam\'e parameters and the positions of the boundary pressure activations are deduced to allow minimizing the corresponding objective function, i.e., the trace of the covariance matrix of the posterior distribution, by a gradient-based optimization algorithm. Two-dimensional numerical experiments are performed to demonstrate the functionality of our approach.
Binary regression models represent a popular model-based approach for binary classification. In the Bayesian framework, computational challenges in the form of the posterior distribution motivate still-ongoing fruitful research. Here, we focus on the computation of predictive probabilities in Bayesian probit models via expectation propagation (EP). Leveraging more general results in recent literature, we show that such predictive probabilities admit a closed-form expression. Improvements over state-of-the-art approaches are shown in a simulation study.
The non-identifiability of the competing risks model requires researchers to work with restrictions on the model to obtain informative results. We present a new identifiability solution based on an exclusion restriction. Many areas of applied research use methods that rely on exclusion restrcitions. It appears natural to also use them for the identifiability of competing risks models. By imposing the exclusion restriction couple with an Archimedean copula, we are able to avoid any parametric restriction on the marginal distributions. We introduce a semiparametric estimation approach for the nonparametric marginals and the parametric copula. Our simulation results demonstrate the usefulness of the suggested model, as the degree of risk dependence can be estimated without parametric restrictions on the marginal distributions.
Ordinary differential equations (ODEs), via their induced flow maps, provide a powerful framework to parameterize invertible transformations for the purpose of representing complex probability distributions. While such models have achieved enormous success in machine learning, particularly for generative modeling and density estimation, little is known about their statistical properties. This work establishes the first general nonparametric statistical convergence analysis for distribution learning via ODE models trained through likelihood maximization. We first prove a convergence theorem applicable to arbitrary velocity field classes $\mathcal{F}$ satisfying certain simple boundary constraints. This general result captures the trade-off between approximation error (`bias') and the complexity of the ODE model (`variance'). We show that the latter can be quantified via the $C^1$-metric entropy of the class $\mathcal F$. We then apply this general framework to the setting of $C^k$-smooth target densities, and establish nearly minimax-optimal convergence rates for two relevant velocity field classes $\mathcal F$: $C^k$ functions and neural networks. The latter is the practically important case of neural ODEs. Our proof techniques require a careful synthesis of (i) analytical stability results for ODEs, (ii) classical theory for sieved M-estimators, and (iii) recent results on approximation rates and metric entropies of neural network classes. The results also provide theoretical insight on how the choice of velocity field class, and the dependence of this choice on sample size $n$ (e.g., the scaling of width, depth, and sparsity of neural network classes), impacts statistical performance.
We derive information-theoretic generalization bounds for supervised learning algorithms based on the information contained in predictions rather than in the output of the training algorithm. These bounds improve over the existing information-theoretic bounds, are applicable to a wider range of algorithms, and solve two key challenges: (a) they give meaningful results for deterministic algorithms and (b) they are significantly easier to estimate. We show experimentally that the proposed bounds closely follow the generalization gap in practical scenarios for deep learning.
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