The simulation of plasma physics is computationally expensive because the underlying physical system is of high dimensions, requiring three spatial dimensions and three velocity dimensions. One popular numerical approach is Particle-In-Cell (PIC) methods owing to its ease of implementation and favorable scalability in high-dimensional problems. An unfortunate drawback of the method is the introduction of statistical noise resulting from the use of finitely many particles. In this paper we examine the application of the Smoothness-Increasing Accuracy-Conserving (SIAC) family of convolution kernel filters as denoisers for moment data arising from PIC simulations. We show that SIAC filtering is a promising tool to denoise PIC data in the physical space as well as capture the appropriate scales in the Fourier space. Furthermore, we demonstrate how the application of the SIAC technique reduces the amount of information necessary in the computation of quantities of interest in plasma physics such as the Bohm speed.
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The Fokker-Planck (FP) equation is a foundational PDE in stochastic processes. However, curse of dimensionality (CoD) poses challenge when dealing with high-dimensional FP PDEs. Although Monte Carlo and vanilla Physics-Informed Neural Networks (PINNs) have shown the potential to tackle CoD, both methods exhibit numerical errors in high dimensions when dealing with the probability density function (PDF) associated with Brownian motion. The point-wise PDF values tend to decrease exponentially as dimension increases, surpassing the precision of numerical simulations and resulting in substantial errors. Moreover, due to its massive sampling, Monte Carlo fails to offer fast sampling. Modeling the logarithm likelihood (LL) via vanilla PINNs transforms the FP equation into a difficult HJB equation, whose error grows rapidly with dimension. To this end, we propose a novel approach utilizing a score-based solver to fit the score function in SDEs. The score function, defined as the gradient of the LL, plays a fundamental role in inferring LL and PDF and enables fast SDE sampling. Three fitting methods, Score Matching (SM), Sliced SM (SSM), and Score-PINN, are introduced. The proposed score-based SDE solver operates in two stages: first, employing SM, SSM, or Score-PINN to acquire the score; and second, solving the LL via an ODE using the obtained score. Comparative evaluations across these methods showcase varying trade-offs. The proposed method is evaluated across diverse SDEs, including anisotropic OU processes, geometric Brownian, and Brownian with varying eigenspace. We also test various distributions, including Gaussian, Log-normal, Laplace, and Cauchy. The numerical results demonstrate the score-based SDE solver's stability, speed, and performance across different settings, solidifying its potential as a solution to CoD for high-dimensional FP equations.
Identification of optimal dose combinations in early phase dose-finding trials is challenging, due to the trade-off between precisely estimating the many parameters required to flexibly model the possibly non-monotonic dose-response surface, and the small sample sizes in early phase trials. This difficulty is even more pertinent in the context of personalized dose-finding, where patient characteristics are used to identify tailored optimal dose combinations. To overcome these challenges, we propose the use of Bayesian optimization for finding optimal dose combinations in standard ("one size fits all") and personalized multi-agent dose-finding trials. Bayesian optimization is a method for estimating the global optima of expensive-to-evaluate objective functions. The objective function is approximated by a surrogate model, commonly a Gaussian process, paired with a sequential design strategy to select the next point via an acquisition function. This work is motivated by an industry-sponsored problem, where focus is on optimizing a dual-agent therapy in a setting featuring minimal toxicity. To compare the performance of the standard and personalized methods under this setting, simulation studies are performed for a variety of scenarios. Our study concludes that taking a personalized approach is highly beneficial in the presence of heterogeneity.
This paper provides rigorous error bounds for physics-informed neural networks approximating the semilinear wave equation. We provide bounds for the generalization and training error in terms of the width of the network's layers and the number of training points for a tanh neural network with two hidden layers. Our main result is a bound of the total error in the $H^1([0,T];L^2(\Omega))$-norm in terms of the training error and the number of training points, which can be made arbitrarily small under some assumptions. We illustrate our theoretical bounds with numerical experiments.
Out-of-distribution (OOD) detection is a critical task for safe deployment of learning systems in the open world setting. In this work, we investigate the use of feature density estimation via normalizing flows for OOD detection and present a fully unsupervised approach which requires no exposure to OOD data, avoiding researcher bias in OOD sample selection. This is a post-hoc method which can be applied to any pretrained model, and involves training a lightweight auxiliary normalizing flow model to perform the out-of-distribution detection via density thresholding. Experiments on OOD detection in image classification show strong results for far-OOD data detection with only a single epoch of flow training, including 98.2% AUROC for ImageNet-1k vs. Textures, which exceeds the state of the art by 7.8%. We additionally explore the connection between the feature space distribution of the pretrained model and the performance of our method. Finally, we provide insights into training pitfalls that have plagued normalizing flows for use in OOD detection.
This study delves into the domain of dynamical systems, specifically the forecasting of dynamical time series defined through an evolution function. Traditional approaches in this area predict the future behavior of dynamical systems by inferring the evolution function. However, these methods may confront obstacles due to the presence of missing variables, which are usually attributed to challenges in measurement and a partial understanding of the system of interest. To overcome this obstacle, we introduce the autoregressive with slack time series (ARS) model, that simultaneously estimates the evolution function and imputes missing variables as a slack time series. Assuming time-invariance and linearity in the (underlying) entire dynamical time series, our experiments demonstrate the ARS model's capability to forecast future time series. From a theoretical perspective, we prove that a 2-dimensional time-invariant and linear system can be reconstructed by utilizing observations from a single, partially observed dimension of the system.
Evolutionary algorithms (EAs) have been widely and successfully applied to solve multi-objective optimization problems, due to their nature of population-based search. Population update, a key component in multi-objective EAs (MOEAs), is usually performed in a greedy, deterministic manner. That is, the next-generation population is formed by selecting the best solutions from the current population and newly-generated solutions (irrespective of the selection criteria used such as Pareto dominance, crowdedness and indicators). In this paper, we question this practice. We analytically present that stochastic population update can be beneficial for the search of MOEAs. Specifically, we prove that the expected running time of two well-established MOEAs, SMS-EMOA and NSGA-II, for solving two bi-objective problems, OneJumpZeroJump and bi-objective RealRoyalRoad, can be exponentially decreased if replacing its deterministic population update mechanism by a stochastic one. Empirical studies also verify the effectiveness of the proposed population update method. This work is an attempt to challenge a common practice in the design of existing MOEAs. Its positive results, which might hold more generally, should encourage the exploration of developing new MOEAs in the area.
The recognition performance of biometric systems strongly depends on the quality of the compared biometric samples. Motivated by the goal of establishing a common understanding of face image quality and enabling system interoperability, the committee draft of ISO/IEC 29794-5 introduces expression neutrality as one of many component quality elements affecting recognition performance. In this study, we train classifiers to assess facial expression neutrality using seven datasets. We conduct extensive performance benchmarking to evaluate their classification and face recognition utility prediction abilities. Our experiments reveal significant differences in how each classifier distinguishes "neutral" from "non-neutral" expressions. While Random Forests and AdaBoost classifiers are most suitable for distinguishing neutral from non-neutral facial expressions with high accuracy, they underperform compared to Support Vector Machines in predicting face recognition utility.
A pivotal aspect in the design of neural networks lies in selecting activation functions, crucial for introducing nonlinear structures that capture intricate input-output patterns. While the effectiveness of adaptive or trainable activation functions has been studied in domains with ample data, like image classification problems, significant gaps persist in understanding their influence on classification accuracy and predictive uncertainty in settings characterized by limited data availability. This research aims to address these gaps by investigating the use of two types of adaptive activation functions. These functions incorporate shared and individual trainable parameters per hidden layer and are examined in three testbeds derived from additive manufacturing problems containing fewer than one hundred training instances. Our investigation reveals that adaptive activation functions, such as Exponential Linear Unit (ELU) and Softplus, with individual trainable parameters, result in accurate and confident prediction models that outperform fixed-shape activation functions and the less flexible method of using identical trainable activation functions in a hidden layer. Therefore, this work presents an elegant way of facilitating the design of adaptive neural networks in scientific and engineering problems.
We propose a functional accelerated failure time model to characterize effects of both functional and scalar covariates on the time to event of interest, and provide regularity conditions to guarantee model identifiability. For efficient estimation of model parameters, we develop a sieve maximum likelihood approach where parametric and nonparametric coefficients are bundled with an unknown baseline hazard function in the likelihood function. Not only do the bundled parameters cause immense numerical difficulties, but they also result in new challenges in theoretical development. By developing a general theoretical framework, we overcome the challenges arising from the bundled parameters and derive the convergence rate of the proposed estimator. Furthermore, we prove that the finite-dimensional estimator is $\sqrt{n}$-consistent, asymptotically normal and achieves the semiparametric information bound. The proposed inference procedures are evaluated by extensive simulation studies and illustrated with an application to the sequential organ failure assessment data from the Improving Care of Acute Lung Injury Patients study.
Data augmentation, the artificial creation of training data for machine learning by transformations, is a widely studied research field across machine learning disciplines. While it is useful for increasing the generalization capabilities of a model, it can also address many other challenges and problems, from overcoming a limited amount of training data over regularizing the objective to limiting the amount data used to protect privacy. Based on a precise description of the goals and applications of data augmentation (C1) and a taxonomy for existing works (C2), this survey is concerned with data augmentation methods for textual classification and aims to achieve a concise and comprehensive overview for researchers and practitioners (C3). Derived from the taxonomy, we divided more than 100 methods into 12 different groupings and provide state-of-the-art references expounding which methods are highly promising (C4). Finally, research perspectives that may constitute a building block for future work are given (C5).
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