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Achieving real-time capability is an essential prerequisite for the industrial implementation of nonlinear model predictive control (NMPC). Data-driven model reduction offers a way to obtain low-order control models from complex digital twins. In particular, data-driven approaches require little expert knowledge of the particular process and its model, and provide reduced models of a well-defined generic structure. Herein, we apply our recently proposed data-driven reduction strategy based on Koopman theory [Schulze et al. (2022), Comput. Chem. Eng.] to generate a low-order control model of an air separation unit (ASU). The reduced Koopman model combines autoencoders and linear latent dynamics and is constructed using machine learning. Further, we present an NMPC implementation that uses derivative computation tailored to the fixed block structure of reduced Koopman models. Our reduction approach with tailored NMPC implementation enables real-time NMPC of an ASU at an average CPU time decrease by 98 %.

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ACM/IEEE第23屆模型驅動工程語言和系統國際會議,是模型驅動軟件和系統工程的首要會議系列,由ACM-SIGSOFT和IEEE-TCSE支持組織。自1998年以來,模型涵蓋了建模的各個方面,從語言和方法到工具和應用程序。模特的參加者來自不同的背景,包括研究人員、學者、工程師和工業專業人士。MODELS 2019是一個論壇,參與者可以圍繞建模和模型驅動的軟件和系統交流前沿研究成果和創新實踐經驗。今年的版本將為建模社區提供進一步推進建模基礎的機會,并在網絡物理系統、嵌入式系統、社會技術系統、云計算、大數據、機器學習、安全、開源等新興領域提出建模的創新應用以及可持續性。 官網鏈接: · 泛函 · 超限學習機 · 近似誤差 · MoDELS ·
2023 年 10 月 26 日

Obtaining the solutions of partial differential equations based on various machine learning methods has drawn more and more attention in the fields of scientific computation and engineering applications. In this work, we first propose a coupled Extreme Learning Machine (called CELM) method incorporated with the physical laws to solve a class of fourth-order biharmonic equations by reformulating it into two well-posed Poisson problems. In addition, some activation functions including tangent, gauss, sine, and trigonometric (sin+cos) functions are introduced to assess our CELM method. Notably, the sine and trigonometric functions demonstrate a remarkable ability to effectively minimize the approximation error of the CELM model. In the end, several numerical experiments are performed to study the initializing approaches for both the weights and biases of the hidden units in our CELM model and explore the required number of hidden units. Numerical results show the proposed CELM algorithm is high-precision and efficient to address the biharmonic equation in both regular and irregular domains.

Data-driven models for nonlinear dynamical systems based on approximating the underlying Koopman operator or generator have proven to be successful tools for forecasting, feature learning, state estimation, and control. It has become well known that the Koopman generators for control-affine systems also have affine dependence on the input, leading to convenient finite-dimensional bilinear approximations of the dynamics. Yet there are still two main obstacles that limit the scope of current approaches for approximating the Koopman generators of systems with actuation. First, the performance of existing methods depends heavily on the choice of basis functions over which the Koopman generator is to be approximated; and there is currently no universal way to choose them for systems that are not measure preserving. Secondly, if we do not observe the full state, then it becomes necessary to account for the dependence of the output time series on the sequence of supplied inputs when constructing observables to approximate Koopman operators. To address these issues, we write the dynamics of observables governed by the Koopman generator as a bilinear hidden Markov model, and determine the model parameters using the expectation-maximization (EM) algorithm. The E-step involves a standard Kalman filter and smoother, while the M-step resembles control-affine dynamic mode decomposition for the generator. We demonstrate the performance of this method on three examples, including recovery of a finite-dimensional Koopman-invariant subspace for an actuated system with a slow manifold; estimation of Koopman eigenfunctions for the unforced Duffing equation; and model-predictive control of a fluidic pinball system based only on noisy observations of lift and drag.

Device-directed speech detection (DDSD) is the binary classification task of distinguishing between queries directed at a voice assistant versus side conversation or background speech. State-of-the-art DDSD systems use verbal cues, e.g acoustic, text and/or automatic speech recognition system (ASR) features, to classify speech as device-directed or otherwise, and often have to contend with one or more of these modalities being unavailable when deployed in real-world settings. In this paper, we investigate fusion schemes for DDSD systems that can be made more robust to missing modalities. Concurrently, we study the use of non-verbal cues, specifically prosody features, in addition to verbal cues for DDSD. We present different approaches to combine scores and embeddings from prosody with the corresponding verbal cues, finding that prosody improves DDSD performance by upto 8.5% in terms of false acceptance rate (FA) at a given fixed operating point via non-linear intermediate fusion, while our use of modality dropout techniques improves the performance of these models by 7.4% in terms of FA when evaluated with missing modalities during inference time.

Creating large-scale and well-annotated datasets to train AI algorithms is crucial for automated tumor detection and localization. However, with limited resources, it is challenging to determine the best type of annotations when annotating massive amounts of unlabeled data. To address this issue, we focus on polyps in colonoscopy videos and pancreatic tumors in abdominal CT scans; both applications require significant effort and time for pixel-wise annotation due to the high dimensional nature of the data, involving either temporary or spatial dimensions. In this paper, we develop a new annotation strategy, termed Drag&Drop, which simplifies the annotation process to drag and drop. This annotation strategy is more efficient, particularly for temporal and volumetric imaging, than other types of weak annotations, such as per-pixel, bounding boxes, scribbles, ellipses, and points. Furthermore, to exploit our Drag&Drop annotations, we develop a novel weakly supervised learning method based on the watershed algorithm. Experimental results show that our method achieves better detection and localization performance than alternative weak annotations and, more importantly, achieves similar performance to that trained on detailed per-pixel annotations. Interestingly, we find that, with limited resources, allocating weak annotations from a diverse patient population can foster models more robust to unseen images than allocating per-pixel annotations for a small set of images. In summary, this research proposes an efficient annotation strategy for tumor detection and localization that is less accurate than per-pixel annotations but useful for creating large-scale datasets for screening tumors in various medical modalities.

Despite outstanding performance in many tasks, language models are notoriously inclined to make factual errors in tasks requiring arithmetic computation. We address this deficiency by creating Calc-X, a collection of datasets that demonstrates the appropriate use of a calculator in reasoning chains. Calc-X is suitable for teaching language models to offload computations to a symbolic system. We survey and unify several existing chain-of-thought datasets into a proposed format, resulting in a standard collection of over 300,000 samples requiring arithmetic reasoning. Finally, we use the new Calc-X collection to train open-source calculator-using models we call Calcformers and show that these models approximately double the accuracy of generating correct results compared to vanilla language model baselines. We make all Calc-X datasets, source code and Calcformers models publicly available.

A formulation is developed for deterministically calculating the optimized paths for a multi-agent system consisting of heterogeneous vehicles. The essence of this formulation is the calculation of the shortest time for each agent to reach every grid point from its known initial position. Such arrival time map can be readily assessed using the Fast Marching Method (FMM), a computational algorithm originally designed for solving boundary value problems of the Eikonal equation. Leveraging the FMM method, we demonstrate that the minimal time rendezvous point and paths for all member vehicles can be uniquely determined with minimal computational concerns. To showcase the potential of our method, we use an example of a virtual rendezvous scenario that entails the coordination of a ship, an underwater vehicle, an aerial vehicle, and a ground vehicle to converge at the optimal location within the Tampa Bay area in minimal time. It illustrates the value of the developed framework in efficiently constructing continuous path planning, while accommodating different operational constraints of heterogeneous member vehicles.

This study analyzes the nonasymptotic convergence behavior of the quasi-Monte Carlo (QMC) method with applications to linear elliptic partial differential equations (PDEs) with lognormal coefficients. Building upon the error analysis presented in (Owen, 2006), we derive a nonasymptotic convergence estimate depending on the specific integrands, the input dimensionality, and the finite number of samples used in the QMC quadrature. We discuss the effects of the variance and dimensionality of the input random variable. Then, we apply the QMC method with importance sampling (IS) to approximate deterministic, real-valued, bounded linear functionals that depend on the solution of a linear elliptic PDE with a lognormal diffusivity coefficient in bounded domains of $\mathbb{R}^d$, where the random coefficient is modeled as a stationary Gaussian random field parameterized by the trigonometric and wavelet-type basis. We propose two types of IS distributions, analyze their effects on the QMC convergence rate, and observe the improvements.

We introduce fluctuating hydrodynamics approaches on surfaces for capturing the drift-diffusion dynamics of particles and microstructures immersed within curved fluid interfaces of spherical shape. We take into account the interfacial hydrodynamic coupling, traction coupling with the surrounding bulk fluid, and thermal fluctuations. For fluid-structure interactions, we introduce Immersed Boundary Methods (IBM) and related Stochastic Eulerian-Lagrangian Methods (SELM) for curved surfaces. We use these approaches to investigate the statistics of surface fluctuating hydrodynamics and microstructures. For velocity autocorrelations, we find characteristic power-law scalings $\tau^{-1}$, $\tau^{-2}$, and plateaus can emerge. This depends on the physical regime associated with the geometry, surface viscosity, and bulk viscosity. This differs from the characteristic $\tau^{-3/2}$ scaling for bulk three dimensional fluids. We develop theory explaining these observed power-laws associated with time-scales for dissipation within the fluid interface and coupling to the surrounding fluid. We then use our introduced methods to investigate a few example systems and roles of hydrodynamic coupling and thermal fluctuations including for the kinetics of passive particles and active microswimmers in curved fluid interfaces.

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.

While it is nearly effortless for humans to quickly assess the perceptual similarity between two images, the underlying processes are thought to be quite complex. Despite this, the most widely used perceptual metrics today, such as PSNR and SSIM, are simple, shallow functions, and fail to account for many nuances of human perception. Recently, the deep learning community has found that features of the VGG network trained on the ImageNet classification task has been remarkably useful as a training loss for image synthesis. But how perceptual are these so-called "perceptual losses"? What elements are critical for their success? To answer these questions, we introduce a new Full Reference Image Quality Assessment (FR-IQA) dataset of perceptual human judgments, orders of magnitude larger than previous datasets. We systematically evaluate deep features across different architectures and tasks and compare them with classic metrics. We find that deep features outperform all previous metrics by huge margins. More surprisingly, this result is not restricted to ImageNet-trained VGG features, but holds across different deep architectures and levels of supervision (supervised, self-supervised, or even unsupervised). Our results suggest that perceptual similarity is an emergent property shared across deep visual representations.

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