Subsampling is commonly used to mitigate costs associated with data acquisition, such as time or energy requirements, motivating the development of algorithms for estimating the fully-sampled signal of interest $x$ from partially observed measurements $y$. In maximum-entropy sampling, one selects measurement locations that are expected to have the highest entropy, so as to minimize uncertainty about $x$. This approach relies on an accurate model of the posterior distribution over future measurements, given the measurements observed so far. Recently, diffusion models have been shown to produce high-quality posterior samples of high-dimensional signals using guided diffusion. In this work, we propose Active Diffusion Subsampling (ADS), a method for performing active subsampling using guided diffusion in which the model tracks a distribution of beliefs over the true state of $x$ throughout the reverse diffusion process, progressively decreasing its uncertainty by choosing to acquire measurements with maximum expected entropy, and ultimately generating the posterior distribution $p(x | y)$. ADS can be applied using pre-trained diffusion models for any subsampling rate, and does not require task-specific retraining - just the specification of a measurement model. Furthermore, the maximum entropy sampling policy employed by ADS is interpretable, enhancing transparency relative to existing methods using black-box policies. Experimentally, we show that ADS outperforms fixed sampling strategies, and study an application of ADS in Magnetic Resonance Imaging acceleration using the fastMRI dataset, finding that ADS performs competitively with supervised methods. Code available at //active-diffusion-subsampling.github.io/.
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In order to sample from an unnormalized probability density function, we propose to combine continuous normalizing flows (CNFs) with rejection-resampling steps based on importance weights. We relate the iterative training of CNFs with regularized velocity fields to a JKO scheme and prove convergence of the involved velocity fields to the velocity field of the Wasserstein gradient flow (WGF). The alternation of local flow steps and non-local rejection-resampling steps allows to overcome local minima or slow convergence of the WGF for multimodal distributions. Since the proposal of the rejection step is generated by the model itself, they do not suffer from common drawbacks of classical rejection schemes. The arising model can be trained iteratively, reduces the reverse Kulback-Leibler (KL) loss function in each step, allows to generate iid samples and moreover allows for evaluations of the generated underlying density. Numerical examples show that our method yields accurate results on various test distributions including high-dimensional multimodal targets and outperforms the state of the art in almost all cases significantly.
Information-theoretic fitness functions are becoming increasingly popular to produce generally useful, task-independent behaviors. One such universal function, dubbed empowerment, measures the amount of control an agent exerts on its environment via its sensorimotor system. Specifically, empowerment attempts to maximize the mutual information between an agent's actions and its received sensor states at a later point in time. Traditionally, empowerment has been applied to a conventional sensorimotor apparatus, such as a robot. Here, we expand the approach to a distributed, multi-agent sensorimotor system embodied by a neural cellular automaton (NCA). We show that the addition of empowerment as a secondary objective in the evolution of NCA to perform the task of morphogenesis, growing and maintaining a pre-specified shape, results in higher fitness compared to evolving for morphogenesis alone. Results suggest there may be a synergistic relationship between morphogenesis and empowerment. That is, indirectly selecting for coordination between neighboring cells over the duration of development is beneficial to the developmental process itself. Such a finding may have applications in developmental biology by providing potential mechanisms of communication between cells during growth from a single cell to a multicellular, target morphology. Source code for the experiments in this paper can be found at: \url{//github.com/caitlingrasso/empowered-nca}.
The Kalman filter (KF) is a state estimation algorithm that optimally combines system knowledge and measurements to minimize the mean squared error of the estimated states. While KF was initially designed for linear systems, numerous extensions of it, such as extended Kalman filter (EKF), unscented Kalman filter (UKF), cubature Kalman filter (CKF), etc., have been proposed for nonlinear systems. Although different types of nonlinear KFs have different pros and cons, they all use the same framework of linear KF, which, according to what we found in this paper, tends to give overconfident and less accurate state estimations when the measurement functions are nonlinear. Therefore, in this study, we designed a new framework for nonlinear KFs and showed theoretically and empirically that the new framework estimates the states and covariance matrix more accurately than the old one. The new framework was tested on four different nonlinear KFs and five different tasks, showcasing its ability to reduce the estimation errors by several orders of magnitude in low-measurement-noise conditions, with only about a 10 to 90% increase in computational time. All types of nonlinear KFs can benefit from the new framework, and the benefit will increase as the sensors become more and more accurate in the future. As an example, EKF, the simplest nonlinear KF that was previously believed to work poorly for strongly nonlinear systems, can now provide fast and fairly accurate state estimations with the help of the new framework. The codes are available at //github.com/Shida-Jiang/A-new-framework-for-nonlinear-Kalman-filters.
Modifications of the smacof algorithm for multidimensional scaling are proposed that provide a convergent majorization algorithm for Kruskal's stress formula two.
Stochastic process models for spatiotemporal data underlying random fields find substantial utility in a range of scientific disciplines. Subsequent to predictive inference on the values of the random field (or spatial surface indexed continuously over time) at arbitrary space-time coordinates, scientific interest often turns to gleaning information regarding zones of rapid spatial-temporal change. We develop Bayesian modeling and inference for directional rates of change along a given surface. These surfaces, which demarcate regions of rapid change, are referred to as ``wombling'' surface boundaries. Existing methods for studying such changes have often been associated with curves and are not easily extendable to surfaces resulting from curves evolving over time. Our current contribution devises a fully model-based inferential framework for analyzing differential behavior in spatiotemporal responses by formalizing the notion of a ``wombling'' surface boundary using conventional multi-linear vector analytic frameworks and geometry followed by posterior predictive computations using triangulated surface approximations. We illustrate our methodology with comprehensive simulation experiments followed by multiple applications in environmental and climate science; pollutant analysis in environmental health; and brain imaging.
Longitudinal magnetic resonance imaging data is used to model trajectories of change in brain regions of interest to identify areas susceptible to atrophy in those with neurodegenerative conditions like Alzheimer's disease. Most methods for extracting brain regions are applied to scans from study participants independently, resulting in wide variability in shape and volume estimates of these regions over time in longitudinal studies. To address this problem, we propose a longitudinal principal manifold estimation method, which seeks to recover smooth, longitudinally meaningful manifold estimates of shapes over time. The proposed approach uses a smoothing spline to smooth over the coefficients of principal manifold embedding functions estimated at each time point. This mitigates the effects of random disturbances to the manifold between time points. Additionally, we propose a novel data augmentation approach to enable principal manifold estimation on self-intersecting manifolds. Simulation studies demonstrate performance improvements over naive applications of principal manifold estimation and principal curve/surface methods. The proposed method improves the estimation of surfaces of hippocampuses and thalamuses using data from participants of the Alzheimer's Disease Neuroimaging Initiative. An analysis of magnetic resonance imaging data from 236 individuals shows the advantages of our proposed methods that leverage regional longitudinal trends for segmentation.
Over the years, the use of superpixel segmentation has become very popular in various applications, serving as a preprocessing step to reduce data size by adapting to the content of the image, regardless of its semantic content. While the superpixel segmentation of standard planar images, captured with a 90{\deg} field of view, has been extensively studied, there has been limited focus on dedicated methods to omnidirectional or spherical images, captured with a 360{\deg} field of view. In this study, we introduce the first deep learning-based superpixel segmentation approach tailored for omnidirectional images called DSS (for Deep Spherical Superpixels). Our methodology leverages on spherical CNN architectures and the differentiable K-means clustering paradigm for superpixels, to generate superpixels that follow the spherical geometry. Additionally, we propose to use data augmentation techniques specifically designed for 360{\deg} images, enabling our model to efficiently learn from a limited set of annotated omnidirectional data. Our extensive validation across two datasets demonstrates that taking into account the inherent circular geometry of such images into our framework improves the segmentation performance over traditional and deep learning-based superpixel methods. Our code is available online.
Recent advancements in quantum computing have positioned it as a prospective solution for tackling intricate computational challenges, with supervised learning emerging as a promising domain for its application. Despite this potential, the field of quantum machine learning is still in its early stages, and there persists a level of skepticism regarding a possible near-term quantum advantage. This paper aims to provide a classical perspective on current quantum algorithms for supervised learning, effectively bridging traditional machine learning principles with advancements in quantum machine learning. Specifically, this study charts a research trajectory that diverges from the predominant focus of quantum machine learning literature, originating from the prerequisites of classical methodologies and elucidating the potential impact of quantum approaches. Through this exploration, our objective is to deepen the understanding of the convergence between classical and quantum methods, thereby laying the groundwork for future advancements in both domains and fostering the involvement of classical practitioners in the field of quantum machine learning.
We study a crucial yet often overlooked issue inherent to Vision Transformers (ViTs): feature maps of these models exhibit grid-like artifacts, which hurt the performance of ViTs in downstream dense prediction tasks such as semantic segmentation, depth prediction, and object discovery. We trace this issue down to the positional embeddings at the input stage. To mitigate this, we propose a two-stage denoising approach, termed Denoising Vision Transformers (DVT). In the first stage, we separate the clean features from those contaminated by positional artifacts by enforcing cross-view feature consistency with neural fields on a per-image basis. This per-image optimization process extracts artifact-free features from raw ViT outputs, providing clean feature estimates for offline applications. In the second stage, we train a lightweight transformer block to predict clean features from raw ViT outputs, leveraging the derived estimates of the clean features as supervision. Our method, DVT, does not require re-training the existing pre-trained ViTs, and is immediately applicable to any Vision Transformer architecture. We evaluate our method on a variety of representative ViTs (DINO, DeiT-III, EVA02, CLIP, DINOv2, DINOv2-reg) and demonstrate that DVT consistently improves existing state-of-the-art general-purpose models in semantic and geometric tasks across multiple datasets. We hope our study will encourage a re-evaluation of ViT design, especially regarding the naive use of positional embeddings. Our code and checkpoints are publicly available.
Graph Neural Networks (GNNs) have been successfully used in many problems involving graph-structured data, achieving state-of-the-art performance. GNNs typically employ a message-passing scheme, in which every node aggregates information from its neighbors using a permutation-invariant aggregation function. Standard well-examined choices such as the mean or sum aggregation functions have limited capabilities, as they are not able to capture interactions among neighbors. In this work, we formalize these interactions using an information-theoretic framework that notably includes synergistic information. Driven by this definition, we introduce the Graph Ordering Attention (GOAT) layer, a novel GNN component that captures interactions between nodes in a neighborhood. This is achieved by learning local node orderings via an attention mechanism and processing the ordered representations using a recurrent neural network aggregator. This design allows us to make use of a permutation-sensitive aggregator while maintaining the permutation-equivariance of the proposed GOAT layer. The GOAT model demonstrates its increased performance in modeling graph metrics that capture complex information, such as the betweenness centrality and the effective size of a node. In practical use-cases, its superior modeling capability is confirmed through its success in several real-world node classification benchmarks.
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