There is a growing interest in characterizing circular data found in biological systems. Such data are wide ranging and varied, from signal phase in neural recordings to nucleotide sequences in round genomes. Traditional clustering algorithms are often inadequate due to their limited ability to distinguish differences in the periodic component. Current clustering schemes that work in a polar coordinate system have limitations, such as being only angle-focused or lacking generality. To overcome these limitations, we propose a new analysis framework that utilizes projections onto a cylindrical coordinate system to better represent objects in a polar coordinate system. Using the mathematical properties of circular data, we show our approach always finds the correct clustering result within the reconstructed dataset, given sufficient periodic repetitions of the data. Our approach is generally applicable and adaptable and can be incorporated into most state-of-the-art clustering algorithms. We demonstrate on synthetic and real data that our method generates more appropriate and consistent clustering results compared to standard methods. In summary, our proposed analysis framework overcomes the limitations of existing polar coordinate-based clustering methods and provides a more accurate and efficient way to cluster circular data.
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Generating synthetic data, with or without differential privacy, has attracted significant attention as a potential solution to the dilemma between making data easily available, and the privacy of data subjects. Several works have shown that consistency of downstream analyses from synthetic data, including accurate uncertainty estimation, requires accounting for the synthetic data generation. There are very few methods of doing so, most of them for frequentist analysis. In this paper, we study how to perform consistent Bayesian inference from synthetic data. We prove that mixing posterior samples obtained separately from multiple large synthetic data sets converges to the posterior of the downstream analysis under standard regularity conditions when the analyst's model is compatible with the data provider's model. We also present several examples showing how the theory works in practice, and showing how Bayesian inference can fail when the compatibility assumption is not met, or the synthetic data set is not significantly larger than the original.
Many successful methods to learn dynamical systems from data have recently been introduced. However, ensuring that the inferred dynamics preserve known constraints, such as conservation laws or restrictions on the allowed system states, remains challenging. We propose stabilized neural differential equations (SNDEs), a method to enforce arbitrary manifold constraints for neural differential equations. Our approach is based on a stabilization term that, when added to the original dynamics, renders the constraint manifold provably asymptotically stable. Due to its simplicity, our method is compatible with all common neural differential equation (NDE) models and broadly applicable. In extensive empirical evaluations, we demonstrate that SNDEs outperform existing methods while broadening the types of constraints that can be incorporated into NDE training.
As cyclones become more intense due to climate change, the rise of AI-based modelling provides a more affordable and accessible approach compared to traditional methods based on mathematical models. This work leverages diffusion models to forecast cyclone trajectories and precipitation patterns by integrating satellite imaging, remote sensing, and atmospheric data, employing a cascaded approach that incorporates forecasting, super-resolution, and precipitation modelling, with training on a dataset of 51 cyclones from six major basins. Experiments demonstrate that the final forecasts from the cascaded models show accurate predictions up to a 36-hour rollout, with SSIM and PSNR values exceeding 0.5 and 20 dB, respectively, for all three tasks. This work also highlights the promising efficiency of AI methods such as diffusion models for high-performance needs, such as cyclone forecasting, while remaining computationally affordable, making them ideal for highly vulnerable regions with critical forecasting needs and financial limitations. Code accessible at \url{//github.com/nathzi1505/forecast-diffmodels}.
Missingness is a common issue for neuroimaging data, and neglecting it in downstream statistical analysis can introduce bias and lead to misguided inferential conclusions. It is therefore crucial to conduct appropriate statistical methods to address this issue. While multiple imputation is a popular technique for handling missing data, its application to neuroimaging data is hindered by high dimensionality and complex dependence structures of multivariate neuroimaging variables. To tackle this challenge, we propose a novel approach, named High Dimensional Multiple Imputation (HIMA), based on Bayesian models. HIMA develops a new computational strategy for sampling large covariance matrices based on a robustly estimated posterior mode, which drastically enhances computational efficiency and numerical stability. To assess the effectiveness of HIMA, we conducted extensive simulation studies and real-data analysis using neuroimaging data from a Schizophrenia study. HIMA showcases a computational efficiency improvement of over 2000 times when compared to traditional approaches, while also producing imputed datasets with improved precision and stability.
Analyzing observational data from multiple sources can be useful for increasing statistical power to detect a treatment effect; however, practical constraints such as privacy considerations may restrict individual-level information sharing across data sets. This paper develops federated methods that only utilize summary-level information from heterogeneous data sets. Our federated methods provide doubly-robust point estimates of treatment effects as well as variance estimates. We derive the asymptotic distributions of our federated estimators, which are shown to be asymptotically equivalent to the corresponding estimators from the combined, individual-level data. We show that to achieve these properties, federated methods should be adjusted based on conditions such as whether models are correctly specified and stable across heterogeneous data sets.
Recently, contrastive learning (CL) has emerged as a successful method for unsupervised graph representation learning. Most graph CL methods first perform stochastic augmentation on the input graph to obtain two graph views and maximize the agreement of representations in the two views. Despite the prosperous development of graph CL methods, the design of graph augmentation schemes -- a crucial component in CL -- remains rarely explored. We argue that the data augmentation schemes should preserve intrinsic structures and attributes of graphs, which will force the model to learn representations that are insensitive to perturbation on unimportant nodes and edges. However, most existing methods adopt uniform data augmentation schemes, like uniformly dropping edges and uniformly shuffling features, leading to suboptimal performance. In this paper, we propose a novel graph contrastive representation learning method with adaptive augmentation that incorporates various priors for topological and semantic aspects of the graph. Specifically, on the topology level, we design augmentation schemes based on node centrality measures to highlight important connective structures. On the node attribute level, we corrupt node features by adding more noise to unimportant node features, to enforce the model to recognize underlying semantic information. We perform extensive experiments of node classification on a variety of real-world datasets. Experimental results demonstrate that our proposed method consistently outperforms existing state-of-the-art baselines and even surpasses some supervised counterparts, which validates the effectiveness of the proposed contrastive framework with adaptive augmentation.
Spectral clustering (SC) is a popular clustering technique to find strongly connected communities on a graph. SC can be used in Graph Neural Networks (GNNs) to implement pooling operations that aggregate nodes belonging to the same cluster. However, the eigendecomposition of the Laplacian is expensive and, since clustering results are graph-specific, pooling methods based on SC must perform a new optimization for each new sample. In this paper, we propose a graph clustering approach that addresses these limitations of SC. We formulate a continuous relaxation of the normalized minCUT problem and train a GNN to compute cluster assignments that minimize this objective. Our GNN-based implementation is differentiable, does not require to compute the spectral decomposition, and learns a clustering function that can be quickly evaluated on out-of-sample graphs. From the proposed clustering method, we design a graph pooling operator that overcomes some important limitations of state-of-the-art graph pooling techniques and achieves the best performance in several supervised and unsupervised tasks.
Graph Neural Networks (GNNs), which generalize deep neural networks to graph-structured data, have drawn considerable attention and achieved state-of-the-art performance in numerous graph related tasks. However, existing GNN models mainly focus on designing graph convolution operations. The graph pooling (or downsampling) operations, that play an important role in learning hierarchical representations, are usually overlooked. In this paper, we propose a novel graph pooling operator, called Hierarchical Graph Pooling with Structure Learning (HGP-SL), which can be integrated into various graph neural network architectures. HGP-SL incorporates graph pooling and structure learning into a unified module to generate hierarchical representations of graphs. More specifically, the graph pooling operation adaptively selects a subset of nodes to form an induced subgraph for the subsequent layers. To preserve the integrity of graph's topological information, we further introduce a structure learning mechanism to learn a refined graph structure for the pooled graph at each layer. By combining HGP-SL operator with graph neural networks, we perform graph level representation learning with focus on graph classification task. Experimental results on six widely used benchmarks demonstrate the effectiveness of our proposed model.
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.
Deep neural networks (DNNs) have been found to be vulnerable to adversarial examples resulting from adding small-magnitude perturbations to inputs. Such adversarial examples can mislead DNNs to produce adversary-selected results. Different attack strategies have been proposed to generate adversarial examples, but how to produce them with high perceptual quality and more efficiently requires more research efforts. In this paper, we propose AdvGAN to generate adversarial examples with generative adversarial networks (GANs), which can learn and approximate the distribution of original instances. For AdvGAN, once the generator is trained, it can generate adversarial perturbations efficiently for any instance, so as to potentially accelerate adversarial training as defenses. We apply AdvGAN in both semi-whitebox and black-box attack settings. In semi-whitebox attacks, there is no need to access the original target model after the generator is trained, in contrast to traditional white-box attacks. In black-box attacks, we dynamically train a distilled model for the black-box model and optimize the generator accordingly. Adversarial examples generated by AdvGAN on different target models have high attack success rate under state-of-the-art defenses compared to other attacks. Our attack has placed the first with 92.76% accuracy on a public MNIST black-box attack challenge.
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