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The growing computing power over the years has enabled simulations to become more complex and accurate. However, high-fidelity simulations, while immensely valuable for scientific discovery and problem solving, come with significant computational demands. As a result, it is common to run a low-fidelity model with a subgrid-scale model to reduce the computational cost, but selecting the appropriate subgrid-scale models and tuning them are challenging. We propose a novel method for learning the subgrid-scale model effects when simulating partial differential equations using neural ordinary differential equations in the context of discontinuous Galerkin (DG) spatial discretization. Our approach learns the missing scales of the low-order DG solver at a continuous level and hence improves the accuracy of the low-order DG approximations as well as accelerates the filtered high-order DG simulations with a certain degree of precision. We demonstrate the performance of our approach through multidimensional Taylor--Green vortex examples at different Reynolds numbers and times, which cover laminar, transitional, and turbulent regimes. The proposed method not only reconstructs the subgrid-scale from the low-order (1st-order) approximation but also speeds up the filtered high-order DG (6th-order) simulation by two orders of magnitude.

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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 · Learning · Machine Learning · 替代函數 ·
2023 年 12 月 15 日

Many functions characterising physical systems are additively separable. This is the case, for instance, of mechanical Hamiltonian functions in physics, population growth equations in biology, and consumer preference and utility functions in economics. We consider the scenario in which a surrogate of a function is to be tested for additive separability. The detection that the surrogate is additively separable can be leveraged to improve further learning. Hence, it is beneficial to have the ability to test for such separability in surrogates. The mathematical approach is to test if the mixed partial derivative of the surrogate is zero; or empirically, lower than a threshold. We present and comparatively and empirically evaluate the eight methods to compute the mixed partial derivative of a surrogate function.

Stochastic programs where the uncertainty distribution must be inferred from noisy data samples are considered. The stochastic programs are approximated with distributionally-robust optimizations that minimize the worst-case expected cost over ambiguity sets, i.e., sets of distributions that are sufficiently compatible with the observed data. In this paper, the ambiguity sets capture the set of probability distributions whose convolution with the noise distribution remains within a ball centered at the empirical noisy distribution of data samples parameterized by the total variation distance. Using the prescribed ambiguity set, the solutions of the distributionally-robust optimizations converge to the solutions of the original stochastic programs when the numbers of the data samples grow to infinity. Therefore, the proposed distributionally-robust optimization problems are asymptotically consistent. This is proved under the assumption that the distribution of the noise is uniformly diagonally dominant. More importantly, the distributionally-robust optimization problems can be cast as tractable convex optimization problems and are therefore amenable to large-scale stochastic problems.

Quantum computers are expected to contribute more efficient and accurate ways of modeling economic processes. Quantum hardware is currently available at a relatively small scale, but effective algorithms are limited by the number of logic gates that can be used, before noise from gate inaccuracies tends to dominate results. Some theoretical algorithms that have been proposed and studied for years do not perform well yet on quantum hardware in practice. This encourages the development of suitable alternative algorithms that play similar roles in limited contexts. This paper implements this strategy in the case of quantum counting, which is used as a component for keeping track of position in a quantum walk, which is used as a model for simulating asset prices over time. We introduce quantum approximate counting circuits that use far fewer 2-qubit entangling gates than traditional quantum counting that relies on binary positional encoding. The robustness of these circuits to noise is demonstrated. We compare the results to price change distributions from stock indices, and compare the behavior of quantum circuits with and without mid-measurement to trends in the housing market. The housing data shows that low liquidity brings price volatility, as expected with the quantum models.

Research on adversarial robustness is primarily focused on image and text data. Yet, many scenarios in which lack of robustness can result in serious risks, such as fraud detection, medical diagnosis, or recommender systems often do not rely on images or text but instead on tabular data. Adversarial robustness in tabular data poses two serious challenges. First, tabular datasets often contain categorical features, and therefore cannot be tackled directly with existing optimization procedures. Second, in the tabular domain, algorithms that are not based on deep networks are widely used and offer great performance, but algorithms to enhance robustness are tailored to neural networks (e.g. adversarial training). In this paper, we tackle both challenges. We present a method that allows us to train adversarially robust deep networks for tabular data and to transfer this robustness to other classifiers via universal robust embeddings tailored to categorical data. These embeddings, created using a bilevel alternating minimization framework, can be transferred to boosted trees or random forests making them robust without the need for adversarial training while preserving their high accuracy on tabular data. We show that our methods outperform existing techniques within a practical threat model suitable for tabular data.

Efficient computation or approximation of Levenshtein distance, a widely-used metric for evaluating sequence similarity, has attracted significant attention with the emergence of DNA storage and other biological applications. Sequence embedding, which maps Levenshtein distance to a conventional distance between embedding vectors, has emerged as a promising solution. In this paper, a novel neural network-based sequence embedding technique using Poisson regression is proposed. We first provide a theoretical analysis of the impact of embedding dimension on model performance and present a criterion for selecting an appropriate embedding dimension. Under this embedding dimension, the Poisson regression is introduced by assuming the Levenshtein distance between sequences of fixed length following a Poisson distribution, which naturally aligns with the definition of Levenshtein distance. Moreover, from the perspective of the distribution of embedding distances, Poisson regression approximates the negative log likelihood of the chi-squared distribution and offers advancements in removing the skewness. Through comprehensive experiments on real DNA storage data, we demonstrate the superior performance of the proposed method compared to state-of-the-art approaches.

Self-supervised learning (SSL) has shown impressive results in downstream classification tasks. However, there is limited work in understanding their failure modes and interpreting their learned representations. In this paper, we study the representation space of state-of-the-art self-supervised models including SimCLR, SwaV, MoCo, BYOL, DINO, SimSiam, VICReg and Barlow Twins. Without the use of class label information, we discover discriminative features that correspond to unique physical attributes in images, present mostly in correctly-classified representations. Using these features, we can compress the representation space by up to 40% without significantly affecting linear classification performance. We then propose Self-Supervised Representation Quality Score (or Q-Score), an unsupervised score that can reliably predict if a given sample is likely to be mis-classified during linear evaluation, achieving AUPRC of 91.45 on ImageNet-100 and 78.78 on ImageNet-1K. Q-Score can also be used as a regularization term on pre-trained encoders to remedy low-quality representations. Fine-tuning with Q-Score regularization can boost the linear probing accuracy of SSL models by up to 5.8% on ImageNet-100 and 3.7% on ImageNet-1K compared to their baselines. Finally, using gradient heatmaps and Salient ImageNet masks, we define a metric to quantify the interpretability of each representation. We show that discriminative features are strongly correlated to core attributes and, enhancing these features through Q-score regularization makes SSL representations more interpretable.

Provable nonlinear stability bounds the discrete approximation and ensures that the discretization does not diverge. For high-order methods, discrete nonlinear stability and entropy stability, have been successfully implemented for discontinuous Galerkin (DG) and residual distribution schemes, where the stability proofs depend on properties of L2-norms. In this paper, nonlinearly stable flux reconstruction (NSFR) schemes are developed for three-dimensional compressible flow in curvilinear coordinates. NSFR is derived by merging the energy stable FR (ESFR) framework with entropy stable DG schemes. NSFR is demonstrated to use larger time-steps than DG due to the ESFR correction functions. NSFR differs from ESFR schemes in the literature since it incorporates the FR correction functions on the volume terms through the use of a modified mass matrix. We also prove that discrete kinetic energy stability cannot be preserved to machine precision for quadrature rules where the surface quadrature is not a subset of the volume quadrature. This paper also presents the NSFR modified mass matrix in a weight-adjusted form. This form reduces the computational cost in curvilinear coordinates through sum-fcatorization and low-storage techniques. The nonlinear stability properties of the scheme are verified on a nonsymmetric curvilinear grid for the inviscid Taylor-Green vortex problem and the correct orders of convergence were obtained for a manufactured solution. Lastly, we perform a computational cost comparison between conservative DG, overintegrated DG, and our proposed entropy conserving NSFR scheme, and find that our proposed entropy conserving NSFR scheme is computationally competitive with the conservative DG scheme.

Recent artificial intelligence (AI) systems have reached milestones in "grand challenges" ranging from Go to protein-folding. The capability to retrieve medical knowledge, reason over it, and answer medical questions comparably to physicians has long been viewed as one such grand challenge. Large language models (LLMs) have catalyzed significant progress in medical question answering; Med-PaLM was the first model to exceed a "passing" score in US Medical Licensing Examination (USMLE) style questions with a score of 67.2% on the MedQA dataset. However, this and other prior work suggested significant room for improvement, especially when models' answers were compared to clinicians' answers. Here we present Med-PaLM 2, which bridges these gaps by leveraging a combination of base LLM improvements (PaLM 2), medical domain finetuning, and prompting strategies including a novel ensemble refinement approach. Med-PaLM 2 scored up to 86.5% on the MedQA dataset, improving upon Med-PaLM by over 19% and setting a new state-of-the-art. We also observed performance approaching or exceeding state-of-the-art across MedMCQA, PubMedQA, and MMLU clinical topics datasets. We performed detailed human evaluations on long-form questions along multiple axes relevant to clinical applications. In pairwise comparative ranking of 1066 consumer medical questions, physicians preferred Med-PaLM 2 answers to those produced by physicians on eight of nine axes pertaining to clinical utility (p < 0.001). We also observed significant improvements compared to Med-PaLM on every evaluation axis (p < 0.001) on newly introduced datasets of 240 long-form "adversarial" questions to probe LLM limitations. While further studies are necessary to validate the efficacy of these models in real-world settings, these results highlight rapid progress towards physician-level performance in medical question answering.

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.

Recently, deep learning has achieved very promising results in visual object tracking. Deep neural networks in existing tracking methods require a lot of training data to learn a large number of parameters. However, training data is not sufficient for visual object tracking as annotations of a target object are only available in the first frame of a test sequence. In this paper, we propose to learn hierarchical features for visual object tracking by using tree structure based Recursive Neural Networks (RNN), which have fewer parameters than other deep neural networks, e.g. Convolutional Neural Networks (CNN). First, we learn RNN parameters to discriminate between the target object and background in the first frame of a test sequence. Tree structure over local patches of an exemplar region is randomly generated by using a bottom-up greedy search strategy. Given the learned RNN parameters, we create two dictionaries regarding target regions and corresponding local patches based on the learned hierarchical features from both top and leaf nodes of multiple random trees. In each of the subsequent frames, we conduct sparse dictionary coding on all candidates to select the best candidate as the new target location. In addition, we online update two dictionaries to handle appearance changes of target objects. Experimental results demonstrate that our feature learning algorithm can significantly improve tracking performance on benchmark datasets.

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