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Bayesian nonparametric mixture models are widely used to cluster observations. However, one major drawback of the approach is that the estimated partition often presents unbalanced clusters' frequencies with only a few dominating clusters and a large number of sparsely-populated ones. This feature translates into results that are often uninterpretable unless we accept to ignore a relevant number of observations and clusters. Interpreting the posterior distribution as penalized likelihood, we show how the unbalance can be explained as a direct consequence of the cost functions involved in estimating the partition. In light of our findings, we propose a novel Bayesian estimator of the clustering configuration. The proposed estimator is equivalent to a post-processing procedure that reduces the number of sparsely-populated clusters and enhances interpretability. The procedure takes the form of entropy-regularization of the Bayesian estimate. While being computationally convenient with respect to alternative strategies, it is also theoretically justified as a correction to the Bayesian loss function used for point estimation and, as such, can be applied to any posterior distribution of clusters, regardless of the specific model used.

Uncertainty approximation in text classification is an important area with applications in domain adaptation and interpretability. One of the most widely used uncertainty approximation methods is Monte Carlo (MC) Dropout, which is computationally expensive as it requires multiple forward passes through the model. A cheaper alternative is to simply use the softmax based on a single forward pass without dropout to estimate model uncertainty. However, prior work has indicated that these predictions tend to be overconfident. In this paper, we perform a thorough empirical analysis of these methods on five datasets with two base neural architectures in order to identify the trade-offs between the two. We compare both softmax and an efficient version of MC Dropout on their uncertainty approximations and downstream text classification performance, while weighing their runtime (cost) against performance (benefit). We find that, while MC dropout produces the best uncertainty approximations, using a simple softmax leads to competitive and in some cases better uncertainty estimation for text classification at a much lower computational cost, suggesting that softmax can in fact be a sufficient uncertainty estimate when computational resources are a concern.

Procedural content generation (PCG) is a growing field, with numerous applications in the video game industry and great potential to help create better games at a fraction of the cost of manual creation. However, much of the work in PCG is focused on generating relatively straightforward levels in simple games, as it is challenging to design an optimisable objective function for complex settings. This limits the applicability of PCG to more complex and modern titles, hindering its adoption in industry. Our work aims to address this limitation by introducing a compositional level generation method that recursively composes simple low-level generators to construct large and complex creations. This approach allows for easily-optimisable objectives and the ability to design a complex structure in an interpretable way by referencing lower-level components. We empirically demonstrate that our method outperforms a non-compositional baseline by more accurately satisfying a designer's functional requirements in several tasks. Finally, we provide a qualitative showcase (in Minecraft) illustrating the large and complex, but still coherent, structures that were generated using simple base generators.

Developing and deploying machine learning models safely depends on the ability to characterize and compare their abilities to generalize to new environments. Although recent work has proposed a variety of methods that can directly predict or theoretically bound the generalization capacity of a model, they rely on strong assumptions such as matching train/test distributions and access to model gradients. In order to characterize generalization when these assumptions are not satisfied, we propose neighborhood invariance, a measure of a classifier's output invariance in a local transformation neighborhood. Specifically, we sample a set of transformations and given an input test point, calculate the invariance as the largest fraction of transformed points classified into the same class. Crucially, our measure is simple to calculate, does not depend on the test point's true label, makes no assumptions about the data distribution or model, and can be applied even in out-of-domain (OOD) settings where existing methods cannot, requiring only selecting a set of appropriate data transformations. In experiments on robustness benchmarks in image classification, sentiment analysis, and natural language inference, we demonstrate a strong and robust correlation between our neighborhood invariance measure and actual OOD generalization on over 4,600 models evaluated on over 100 unique train/test domain pairs.

In this paper, we show that in a parallel processing system, if a partial order is induced among the local states visited by a node, then synchronization cost can be eliminated. As a result of this partial order, a DAG is induced among the global states. Specifically, we show that in such systems, correctness is preserved even if the nodes execute asynchronously and read old information of other nodes. We present two variations for inducing DAGs -- \textit{DAG-inducing problems}, where the problem definition itself induces a DAG, and \textit{DAG-inducing algorithms}, where a DAG is induced by the algorithm. We demonstrate that the dominant clique (DC) problem and shortest path (SP) problem are DAG-inducing problems. Among these, DC allows self-stabilization, whereas the algorithm that we present for SP does not. We demonstrate that maximal matching (MM) is not a DAG-inducing problem. However, a DAG-inducing algorithm can be developed for it. The algorithm for MM allows self-stabilization. This algorithm converges in $2n$ moves and does not require a synchronous environment, which is an improvement over the existing algorithms in the literature. The algorithm for DC converges in $2m$ moves, and the algorithm for SP converges in $\mathcal{D}$ rounds. ($n$ is the number of nodes and $m$ is the number of edges in the input graph, and $\mathcal{D}$ is its diameter.) We also note that DAG-inducing problems are more general than, and encapsulate, lattice linear problems (Garg, SPAA 2020). Similarly, DAG-inducing algorithms encapsulate lattice linear algorithms (Gupta and Kulkarni, SSS 2022). We also show that a partial order induced among the local states visited by a node, as discussed above, is a necessary and sufficient condition to allow asynchrony.

Inferring brain connectivity and structure \textit{in-vivo} requires accurate estimation of the orientation distribution function (ODF), which encodes key local tissue properties. However, estimating the ODF from diffusion MRI (dMRI) signals is a challenging inverse problem due to obstacles such as significant noise, high-dimensional parameter spaces, and sparse angular measurements. In this paper, we address these challenges by proposing a novel deep-learning based methodology for continuous estimation and uncertainty quantification of the spatially varying ODF field. We use a neural field (NF) to parameterize a random series representation of the latent ODFs, implicitly modeling the often ignored but valuable spatial correlation structures in the data, and thereby improving efficiency in sparse and noisy regimes. An analytic approximation to the posterior predictive distribution is derived which can be used to quantify the uncertainty in the ODF estimate at any spatial location, avoiding the need for expensive resampling-based approaches that are typically employed for this purpose. We present empirical evaluations on both synthetic and real in-vivo diffusion data, demonstrating the advantages of our method over existing approaches.

In this article we perform an asymptotic analysis of parallel Bayesian logspline density estimators. Such estimators are useful for the analysis of datasets that are partitioned into subsets and stored in separate databases without the capability of accessing the full dataset from a single computer. The parallel estimator we introduce is in the spirit of a kernel density estimator introduced in recent studies. We provide a numerical procedure that produces the normalized density estimator itself in place of the sampling algorithm. We then derive an error bound for the mean integrated squared error of the full dataset posterior estimator. The error bound depends upon the parameters that arise in logspline density estimation and the numerical approximation procedure. In our analysis, we identify the choices for the parameters that result in the error bound scaling optimally in relation to the number of samples. This provides our method with increased estimation accuracy, while also minimizing the computational cost.

Unsupervised domain adaptation (UDA) has witnessed remarkable advancements in improving the accuracy of models for unlabeled target domains. However, the calibration of predictive uncertainty in the target domain, a crucial aspect of the safe deployment of UDA models, has received limited attention. The conventional in-domain calibration method, \textit{temperature scaling} (TempScal), encounters challenges due to domain distribution shifts and the absence of labeled target domain data. Recent approaches have employed importance-weighting techniques to estimate the target-optimal temperature based on re-weighted labeled source data. Nonetheless, these methods require source data and suffer from unreliable density estimates under severe domain shifts, rendering them unsuitable for source-free UDA settings. To overcome these limitations, we propose PseudoCal, a source-free calibration method that exclusively relies on unlabeled target data. Unlike previous approaches that treat UDA calibration as a \textit{covariate shift} problem, we consider it as an unsupervised calibration problem specific to the target domain. Motivated by the factorization of the negative log-likelihood (NLL) objective in TempScal, we generate a labeled pseudo-target set that captures the structure of the real target. By doing so, we transform the unsupervised calibration problem into a supervised one, enabling us to effectively address it using widely-used in-domain methods like TempScal. Finally, we thoroughly evaluate the calibration performance of PseudoCal by conducting extensive experiments on 10 UDA methods, considering both traditional UDA settings and recent source-free UDA scenarios. The experimental results consistently demonstrate the superior performance of PseudoCal, exhibiting significantly reduced calibration error compared to existing calibration methods.

An in-depth understanding of uncertainty is the first step to making effective decisions under uncertainty. Deep/machine learning (ML/DL) has been hugely leveraged to solve complex problems involved with processing high-dimensional data. However, reasoning and quantifying different types of uncertainties to achieve effective decision-making have been much less explored in ML/DL than in other Artificial Intelligence (AI) domains. In particular, belief/evidence theories have been studied in KRR since the 1960s to reason and measure uncertainties to enhance decision-making effectiveness. We found that only a few studies have leveraged the mature uncertainty research in belief/evidence theories in ML/DL to tackle complex problems under different types of uncertainty. In this survey paper, we discuss several popular belief theories and their core ideas dealing with uncertainty causes and types and quantifying them, along with the discussions of their applicability in ML/DL. In addition, we discuss three main approaches that leverage belief theories in Deep Neural Networks (DNNs), including Evidential DNNs, Fuzzy DNNs, and Rough DNNs, in terms of their uncertainty causes, types, and quantification methods along with their applicability in diverse problem domains. Based on our in-depth survey, we discuss insights, lessons learned, limitations of the current state-of-the-art bridging belief theories and ML/DL, and finally, future research directions.

Ensembles over neural network weights trained from different random initialization, known as deep ensembles, achieve state-of-the-art accuracy and calibration. The recently introduced batch ensembles provide a drop-in replacement that is more parameter efficient. In this paper, we design ensembles not only over weights, but over hyperparameters to improve the state of the art in both settings. For best performance independent of budget, we propose hyper-deep ensembles, a simple procedure that involves a random search over different hyperparameters, themselves stratified across multiple random initializations. Its strong performance highlights the benefit of combining models with both weight and hyperparameter diversity. We further propose a parameter efficient version, hyper-batch ensembles, which builds on the layer structure of batch ensembles and self-tuning networks. The computational and memory costs of our method are notably lower than typical ensembles. On image classification tasks, with MLP, LeNet, and Wide ResNet 28-10 architectures, our methodology improves upon both deep and batch ensembles.