We utilize extreme-learning machines for the prediction of partial differential equations (PDEs). Our method splits the state space into multiple windows that are predicted individually using a single model. Despite requiring only few data points (in some cases, our method can learn from a single full-state snapshot), it still achieves high accuracy and can predict the flow of PDEs over long time horizons. Moreover, we show how additional symmetries can be exploited to increase sample efficiency and to enforce equivariance.
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We consider the problem of parameter estimation in a high-dimensional generalized linear model. Spectral methods obtained via the principal eigenvector of a suitable data-dependent matrix provide a simple yet surprisingly effective solution. However, despite their wide use, a rigorous performance characterization, as well as a principled way to preprocess the data, are available only for unstructured (i.i.d.\ Gaussian and Haar orthogonal) designs. In contrast, real-world data matrices are highly structured and exhibit non-trivial correlations. To address the problem, we consider correlated Gaussian designs capturing the anisotropic nature of the features via a covariance matrix $\Sigma$. Our main result is a precise asymptotic characterization of the performance of spectral estimators. This allows us to identify the optimal preprocessing that minimizes the number of samples needed for parameter estimation. Surprisingly, such preprocessing is universal across a broad set of designs, which partly addresses a conjecture on optimal spectral estimators for rotationally invariant models. Our principled approach vastly improves upon previous heuristic methods, including for designs common in computational imaging and genetics. The proposed methodology, based on approximate message passing, is broadly applicable and opens the way to the precise characterization of spiked matrices and of the corresponding spectral methods in a variety of settings.
Gaussian Processes (GP) have become popular machine-learning methods for kernel-based learning on datasets with complicated covariance structures. In this paper, we present a novel extension to the GP framework using a contaminated normal likelihood function to better account for heteroscedastic variance and outlier noise. We propose a scalable inference algorithm based on the Sparse Variational Gaussian Process (SVGP) method for fitting sparse Gaussian process regression models with contaminated normal noise on large datasets. We examine an application to geomagnetic ground perturbations, where the state-of-the-art prediction model is based on neural networks. We show that our approach yields shorter prediction intervals for similar coverage and accuracy when compared to an artificial dense neural network baseline.
Human motion generation is a critical task with a wide range of applications. Achieving high realism in generated motions requires naturalness, smoothness, and plausibility. Despite rapid advancements in the field, current generation methods often fall short of these goals. Furthermore, existing evaluation metrics typically rely on ground-truth-based errors, simple heuristics, or distribution distances, which do not align well with human perceptions of motion quality. In this work, we propose a data-driven approach to bridge this gap by introducing a large-scale human perceptual evaluation dataset, MotionPercept, and a human motion critic model, MotionCritic, that capture human perceptual preferences. Our critic model offers a more accurate metric for assessing motion quality and could be readily integrated into the motion generation pipeline to enhance generation quality. Extensive experiments demonstrate the effectiveness of our approach in both evaluating and improving the quality of generated human motions by aligning with human perceptions. Code and data are publicly available at //motioncritic.github.io/.
Most modern reinforcement learning algorithms optimize a cumulative single-step cost along a trajectory. The optimized motions are often 'unnatural', representing, for example, behaviors with sudden accelerations that waste energy and lack predictability. In this work, we present a novel paradigm of controlling nonlinear systems via the minimization of the Koopman spectrum cost: a cost over the Koopman operator of the controlled dynamics. This induces a broader class of dynamical behaviors that evolve over stable manifolds such as nonlinear oscillators, closed loops, and smooth movements. We demonstrate that some dynamics characterizations that are not possible with a cumulative cost are feasible in this paradigm, which generalizes the classical eigenstructure and pole assignments to nonlinear decision making. Moreover, we present a sample efficient online learning algorithm for our problem that enjoys a sub-linear regret bound under some structural assumptions.
Models for multiphysics problems often contain strong nonlinearities. Including fracture contact mechanics introduces discontinuities at the transition between open and closed or sliding and sticking fractures. The resulting system of equations is highly challenging to solve. The na\"ive choice of Newton's method frequently fails to converge, calling for more refined solution techniques such as line search methods. When dealing with strong nonlinearities and discontinuities, a global line search based on the magnitude of the residual of all equations is at best costly to evaluate and at worst fails to converge. We therefore suggest a cheap and reliable approach tailored to the discontinuities. Utilising adaptive variable scaling, the algorithm uses a line search to identify the transition between contact states. Then, a solution update weight is chosen to ensure that no fracture cells move too far beyond the transition. We demonstrate the algorithm on a series of test cases for poromechanics and thermoporomechanics in fractured porous media. We consider both single- and multifracture cases and study the importance of proper scaling of variables and equations.
Graph Neural Networks (GNNs) have shown promising results on a broad spectrum of applications. Most empirical studies of GNNs directly take the observed graph as input, assuming the observed structure perfectly depicts the accurate and complete relations between nodes. However, graphs in the real world are inevitably noisy or incomplete, which could even exacerbate the quality of graph representations. In this work, we propose a novel Variational Information Bottleneck guided Graph Structure Learning framework, namely VIB-GSL, in the perspective of information theory. VIB-GSL advances the Information Bottleneck (IB) principle for graph structure learning, providing a more elegant and universal framework for mining underlying task-relevant relations. VIB-GSL learns an informative and compressive graph structure to distill the actionable information for specific downstream tasks. VIB-GSL deduces a variational approximation for irregular graph data to form a tractable IB objective function, which facilitates training stability. Extensive experimental results demonstrate that the superior effectiveness and robustness of VIB-GSL.
Recent contrastive representation learning methods rely on estimating mutual information (MI) between multiple views of an underlying context. E.g., we can derive multiple views of a given image by applying data augmentation, or we can split a sequence into views comprising the past and future of some step in the sequence. Contrastive lower bounds on MI are easy to optimize, but have a strong underestimation bias when estimating large amounts of MI. We propose decomposing the full MI estimation problem into a sum of smaller estimation problems by splitting one of the views into progressively more informed subviews and by applying the chain rule on MI between the decomposed views. This expression contains a sum of unconditional and conditional MI terms, each measuring modest chunks of the total MI, which facilitates approximation via contrastive bounds. To maximize the sum, we formulate a contrastive lower bound on the conditional MI which can be approximated efficiently. We refer to our general approach as Decomposed Estimation of Mutual Information (DEMI). We show that DEMI can capture a larger amount of MI than standard non-decomposed contrastive bounds in a synthetic setting, and learns better representations in a vision domain and for dialogue generation.
It is important to detect anomalous inputs when deploying machine learning systems. The use of larger and more complex inputs in deep learning magnifies the difficulty of distinguishing between anomalous and in-distribution examples. At the same time, diverse image and text data are available in enormous quantities. We propose leveraging these data to improve deep anomaly detection by training anomaly detectors against an auxiliary dataset of outliers, an approach we call Outlier Exposure (OE). This enables anomaly detectors to generalize and detect unseen anomalies. In extensive experiments on natural language processing and small- and large-scale vision tasks, we find that Outlier Exposure significantly improves detection performance. We also observe that cutting-edge generative models trained on CIFAR-10 may assign higher likelihoods to SVHN images than to CIFAR-10 images; we use OE to mitigate this issue. We also analyze the flexibility and robustness of Outlier Exposure, and identify characteristics of the auxiliary dataset that improve performance.
Recently, graph neural networks (GNNs) have revolutionized the field of graph representation learning through effectively learned node embeddings, and achieved state-of-the-art results in tasks such as node classification and link prediction. However, current GNN methods are inherently flat and do not learn hierarchical representations of graphs---a limitation that is especially problematic for the task of graph classification, where the goal is to predict the label associated with an entire graph. Here we propose DiffPool, a differentiable graph pooling module that can generate hierarchical representations of graphs and can be combined with various graph neural network architectures in an end-to-end fashion. DiffPool learns a differentiable soft cluster assignment for nodes at each layer of a deep GNN, mapping nodes to a set of clusters, which then form the coarsened input for the next GNN layer. Our experimental results show that combining existing GNN methods with DiffPool yields an average improvement of 5-10% accuracy on graph classification benchmarks, compared to all existing pooling approaches, achieving a new state-of-the-art on four out of five benchmark data sets.
We propose a new method for event extraction (EE) task based on an imitation learning framework, specifically, inverse reinforcement learning (IRL) via generative adversarial network (GAN). The GAN estimates proper rewards according to the difference between the actions committed by the expert (or ground truth) and the agent among complicated states in the environment. EE task benefits from these dynamic rewards because instances and labels yield to various extents of difficulty and the gains are expected to be diverse -- e.g., an ambiguous but correctly detected trigger or argument should receive high gains -- while the traditional RL models usually neglect such differences and pay equal attention on all instances. Moreover, our experiments also demonstrate that the proposed framework outperforms state-of-the-art methods, without explicit feature engineering.
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