In solving partial differential equations (PDEs), Fourier Neural Operators (FNOs) have exhibited notable effectiveness compared to Convolutional Neural Networks (CNNs). This paper presents clear empirical evidence through spectral analysis to elucidate the superiority of FNO over CNNs: FNO is significantly more capable of learning low-frequencies. This empirical evidence also unveils FNO's distinct low-frequency bias, which limits FNO's effectiveness in learning high-frequency information from PDE data. To tackle this challenge, we introduce SpecBoost, an ensemble learning framework that employs multiple FNOs to better capture high-frequency information. Specifically, a secondary FNO is utilized to learn the overlooked high-frequency information from the prediction residual of the initial FNO. Experiments demonstrate that SpecBoost noticeably enhances FNO's prediction accuracy on diverse PDE applications, achieving an up to 71% improvement.
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A system of two coupled nonlinear parabolic partial differential equations with two opposite directions of time is considered. In fact, this is the so-called "Mean Field Games System" (MFGS), which is derived in the mean field games (MFG) theory. This theory has numerous applications in social sciences. The topic of Coefficient Inverse Problems (CIPs) in the MFG theory is in its infant age, both in theory and computations. A numerical method for this CIP is developed. Convergence analysis ensures the global convergence of this method. Numerical experiments are presented.
We study the sensitivity of infinite-dimensional Bayesian linear inverse problems governed by partial differential equations (PDEs) with respect to modeling uncertainties. In particular, we consider derivative-based sensitivity analysis of the information gain, as measured by the Kullback-Leibler divergence from the posterior to the prior distribution. To facilitate this, we develop a fast and accurate method for computing derivatives of the information gain with respect to auxiliary model parameters. Our approach combines low-rank approximations, adjoint-based eigenvalue sensitivity analysis, and post-optimal sensitivity analysis. The proposed approach also paves way for global sensitivity analysis by computing derivative-based global sensitivity measures. We illustrate different aspects of the proposed approach using an inverse problem governed by a scalar linear elliptic PDE, and an inverse problem governed by the three-dimensional equations of linear elasticity, which is motivated by the inversion of the fault-slip field after an earthquake.
Exchangeability concerning a continuous exposure, X, implies no confounding bias when identifying average exposure effects of X, AEE(X). When X is measured with error (Xep), two challenges arise in identifying AEE(X). Firstly, exchangeability regarding Xep does not equal exchangeability regarding X. Secondly, the non-differential error assumption (NDEA) could be overly stringent in practice. To address them, this article proposes unifying exchangeability and exposure and confounder measurement errors with three novel concepts. The first, Probabilistic Exchangeability (PE), states that the outcomes of those with Xep=e are probabilistically exchangeable with the outcomes of those truly exposed to X=eT. The relationship between AEE(Xep) and AEE(X) in risk difference and ratio scales is mathematically expressed as a probabilistic certainty, termed exchangeability probability (Pe). Squared Pe (Pe2) quantifies the extent to which AEE(Xep) differs from AEE(X) due to exposure measurement error through mechanisms not akin to confounding mechanisms. The coefficient of determination (R2) in the regression of Xep against X may sometimes be sufficient to measure Pe2. The second concept, Emergent Pseudo Confounding (EPC), describes the bias introduced by exposure measurement error through mechanisms akin to confounding mechanisms. PE requires controlling for EPC, which is weaker than NDEA. The third, Emergent Confounding, describes when bias due to confounder measurement error arises. Adjustment for E(P)C can be performed like confounding adjustment. This paper provides maximum insight into when AEE(Xep) is an appropriate surrogate of AEE(X) and how to measure the difference between these two. Differential errors could be addressed and may not compromise causal inference.
Reinforcement Learning (RL) is a widely employed technique in decision-making problems, encompassing two fundamental operations -- policy evaluation and policy improvement. Enhancing learning efficiency remains a key challenge in RL, with many efforts focused on using ensemble critics to boost policy evaluation efficiency. However, when using multiple critics, the actor in the policy improvement process can obtain different gradients. Previous studies have combined these gradients without considering their disagreements. Therefore, optimizing the policy improvement process is crucial to enhance learning efficiency. This study focuses on investigating the impact of gradient disagreements caused by ensemble critics on policy improvement. We introduce the concept of uncertainty of gradient directions as a means to measure the disagreement among gradients utilized in the policy improvement process. Through measuring the disagreement among gradients, we find that transitions with lower uncertainty of gradient directions are more reliable in the policy improvement process. Building on this analysis, we propose a method called von Mises-Fisher Experience Resampling (vMFER), which optimizes the policy improvement process by resampling transitions and assigning higher confidence to transitions with lower uncertainty of gradient directions. Our experiments demonstrate that vMFER significantly outperforms the benchmark and is particularly well-suited for ensemble structures in RL.
We propose an efficient semi-Lagrangian characteristic mapping method for solving the one+one-dimensional Vlasov-Poisson equations with high precision on a coarse grid. The flow map is evolved numerically and exponential resolution in linear time is obtained. Global third-order convergence in space and time is shown and conservation properties are assessed. For benchmarking, we consider linear and nonlinear Landau damping and the two-stream instability. We compare the results with a Fourier pseudo-spectral method. The extreme fine-scale resolution features are illustrated showing the method's capabilities to efficiently treat filamentation in fusion plasma simulations.
Gate-defined quantum dots are a promising candidate system to realize scalable, coupled qubit systems and serve as a fundamental building block for quantum computers. However, present-day quantum dot devices suffer from imperfections that must be accounted for, which hinders the characterization, tuning, and operation process. Moreover, with an increasing number of quantum dot qubits, the relevant parameter space grows sufficiently to make heuristic control infeasible. Thus, it is imperative that reliable and scalable autonomous tuning approaches are developed. In this report, we outline current challenges in automating quantum dot device tuning and operation with a particular focus on datasets, benchmarking, and standardization. We also present ideas put forward by the quantum dot community on how to overcome them.
Stochastic differential equations of Langevin-diffusion form have received significant attention, thanks to their foundational role in both Bayesian sampling algorithms and optimization in machine learning. In the latter, they serve as a conceptual model of the stochastic gradient flow in training over-parameterized models. However, the literature typically assumes smoothness of the potential, whose gradient is the drift term. Nevertheless, there are many problems for which the potential function is not continuously differentiable, and hence the drift is not Lipschitz continuous everywhere. This is exemplified by robust losses and Rectified Linear Units in regression problems. In this paper, we show some foundational results regarding the flow and asymptotic properties of Langevin-type Stochastic Differential Inclusions under assumptions appropriate to the machine-learning settings. In particular, we show strong existence of the solution, as well as an asymptotic minimization of the canonical free-energy functional.
Covering numbers are a powerful tool used in the development of approximation algorithms, randomized dimension reduction methods, smoothed complexity analysis, and others. In this paper we prove upper bounds on the covering number of numerous sets in Euclidean space, namely real algebraic varieties, images of polynomial maps and semialgebraic sets in terms of the number of variables and degrees of the polynomials involved. The bounds remarkably improve the best known general bound by Yomdin-Comte, and our proof is much more straightforward. In particular, our result gives new bounds on the volume of the tubular neighborhood of the image of a polynomial map and a semialgebraic set, where results for varieties by Lotz and Basu-Lerario are not directly applicable. We illustrate the power of the result on three computational applications. Firstly, we derive a near-optimal bound on the covering number of low rank CP tensors, quantifying their approximation properties and filling in an important missing piece of theory for tensor dimension reduction and reconstruction. Secondly, we prove a bound on the required dimension for the randomized sketching of polynomial optimization problems, which controls how much computation can be saved through randomization without sacrificing solution quality. Finally, we deduce generalization error bounds for deep neural networks with rational or ReLU activation functions, improving or matching the best known results in the machine learning literature while helping to quantify the impact of architecture choice on generalization error.
Runtime analysis, as a branch of the theory of AI, studies how the number of iterations algorithms take before finding a solution (its runtime) depends on the design of the algorithm and the problem structure. Drift analysis is a state-of-the-art tool for estimating the runtime of randomised algorithms, such as evolutionary and bandit algorithms. Drift refers roughly to the expected progress towards the optimum per iteration. This paper considers the problem of deriving concentration tail-bounds on the runtime/regret of algorithms. It provides a novel drift theorem that gives precise exponential tail-bounds given positive, weak, zero and even negative drift. Previously, such exponential tail bounds were missing in the case of weak, zero, or negative drift. Our drift theorem can be used to prove a strong concentration of the runtime/regret of algorithms in AI. For example, we prove that the regret of the \rwab bandit algorithm is highly concentrated, while previous analyses only considered the expected regret. This means that the algorithm obtains the optimum within a given time frame with high probability, i.e. a form of algorithm reliability. Moreover, our theorem implies that the time needed by the co-evolutionary algorithm RLS-PD to obtain a Nash equilibrium in a \bilinear max-min-benchmark problem is highly concentrated. However, we also prove that the algorithm forgets the Nash equilibrium, and the time until this occurs is highly concentrated. This highlights a weakness in the RLS-PD which should be addressed by future work.
The existence of representative datasets is a prerequisite of many successful artificial intelligence and machine learning models. However, the subsequent application of these models often involves scenarios that are inadequately represented in the data used for training. The reasons for this are manifold and range from time and cost constraints to ethical considerations. As a consequence, the reliable use of these models, especially in safety-critical applications, is a huge challenge. Leveraging additional, already existing sources of knowledge is key to overcome the limitations of purely data-driven approaches, and eventually to increase the generalization capability of these models. Furthermore, predictions that conform with knowledge are crucial for making trustworthy and safe decisions even in underrepresented scenarios. This work provides an overview of existing techniques and methods in the literature that combine data-based models with existing knowledge. The identified approaches are structured according to the categories integration, extraction and conformity. Special attention is given to applications in the field of autonomous driving.
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