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Out-of-distribution (OOD) generalization in the graph domain is challenging due to complex distribution shifts and a lack of environmental contexts. Recent methods attempt to enhance graph OOD generalization by generating flat environments. However, such flat environments come with inherent limitations to capture more complex data distributions. Considering the DrugOOD dataset, which contains diverse training environments (e.g., scaffold, size, etc.), flat contexts cannot sufficiently address its high heterogeneity. Thus, a new challenge is posed to generate more semantically enriched environments to enhance graph invariant learning for handling distribution shifts. In this paper, we propose a novel approach to generate hierarchical semantic environments for each graph. Firstly, given an input graph, we explicitly extract variant subgraphs from the input graph to generate proxy predictions on local environments. Then, stochastic attention mechanisms are employed to re-extract the subgraphs for regenerating global environments in a hierarchical manner. In addition, we introduce a new learning objective that guides our model to learn the diversity of environments within the same hierarchy while maintaining consistency across different hierarchies. This approach enables our model to consider the relationships between environments and facilitates robust graph invariant learning. Extensive experiments on real-world graph data have demonstrated the effectiveness of our framework. Particularly, in the challenging dataset DrugOOD, our method achieves up to 1.29% and 2.83% improvement over the best baselines on IC50 and EC50 prediction tasks, respectively.

Model-based clustering of moderate or large dimensional data is notoriously difficult. We propose a model for simultaneous dimensionality reduction and clustering by assuming a mixture model for a set of latent scores, which are then linked to the observations via a Gaussian latent factor model. This approach was recently investigated by Chandra et al. (2023). The authors use a factor-analytic representation and assume a mixture model for the latent factors. However, performance can deteriorate in the presence of model misspecification. Assuming a repulsive point process prior for the component-specific means of the mixture for the latent scores is shown to yield a more robust model that outperforms the standard mixture model for the latent factors in several simulated scenarios. The repulsive point process must be anisotropic to favor well-separated clusters of data, and its density should be tractable for efficient posterior inference. We address these issues by proposing a general construction for anisotropic determinantal point processes. We illustrate our model in simulations as well as a plant species co-occurrence dataset.

We study an interacting particle method (IPM) for computing the large deviation rate function of entropy production for diffusion processes, with emphasis on the vanishing-noise limit and high dimensions. The crucial ingredient to obtain the rate function is the computation of the principal eigenvalue $\lambda$ of elliptic, non-self-adjoint operators. We show that this principal eigenvalue can be approximated in terms of the spectral radius of a discretized evolution operator obtained from an operator splitting scheme and an Euler--Maruyama scheme with a small time step size, and we show that this spectral radius can be accessed through a large number of iterations of this discretized semigroup, suitable for the IPM. The IPM applies naturally to problems in unbounded domains, scales easily to high dimensions, and adapts to singular behaviors in the vanishing-noise limit. We show numerical examples in dimensions up to 16. The numerical results show that our numerical approximation of $\lambda$ converges to the analytical vanishing-noise limit within visual tolerance with a fixed number of particles and a fixed time step size. Our paper appears to be the first one to obtain numerical results of principal eigenvalue problems for non-self-adjoint operators in such high dimensions.

Diffusion models have emerged as effective distribution estimators in vision, language, and reinforcement learning, but their use as priors in downstream tasks poses an intractable posterior inference problem. This paper studies amortized sampling of the posterior over data, $\mathbf{x}\sim p^{\rm post}(\mathbf{x})\propto p(\mathbf{x})r(\mathbf{x})$, in a model that consists of a diffusion generative model prior $p(\mathbf{x})$ and a black-box constraint or likelihood function $r(\mathbf{x})$. We state and prove the asymptotic correctness of a data-free learning objective, relative trajectory balance, for training a diffusion model that samples from this posterior, a problem that existing methods solve only approximately or in restricted cases. Relative trajectory balance arises from the generative flow network perspective on diffusion models, which allows the use of deep reinforcement learning techniques to improve mode coverage. Experiments illustrate the broad potential of unbiased inference of arbitrary posteriors under diffusion priors: in vision (classifier guidance), language (infilling under a discrete diffusion LLM), and multimodal data (text-to-image generation). Beyond generative modeling, we apply relative trajectory balance to the problem of continuous control with a score-based behavior prior, achieving state-of-the-art results on benchmarks in offline reinforcement learning.

Hate detection has long been a challenging task for the NLP community. The task becomes complex in a code-mixed environment because the models must understand the context and the hate expressed through language alteration. Compared to the monolingual setup, we see very less work on code-mixed hate as large-scale annotated hate corpora are unavailable to make the study. To overcome this bottleneck, we propose using native language hate samples. We hypothesise that in the era of multilingual language models (MLMs), hate in code-mixed settings can be detected by majorly relying on the native language samples. Even though the NLP literature reports the effectiveness of MLMs on hate detection in many cross-lingual settings, their extensive evaluation in a code-mixed scenario is yet to be done. This paper attempts to fill this gap through rigorous empirical experiments. We considered the Hindi-English code-mixed setup as a case study as we have the linguistic expertise for the same. Some of the interesting observations we got are: (i) adding native hate samples in the code-mixed training set, even in small quantity, improved the performance of MLMs for code-mixed hate detection, (ii) MLMs trained with native samples alone observed to be detecting code-mixed hate to a large extent, (iii) The visualisation of attention scores revealed that, when native samples were included in training, MLMs could better focus on the hate emitting words in the code-mixed context, and (iv) finally, when hate is subjective or sarcastic, naively mixing native samples doesn't help much to detect code-mixed hate. We will release the data and code repository to reproduce the reported results.

Case-control sampling is a commonly used retrospective sampling design to alleviate imbalanced structure of binary data. When fitting the logistic regression model with case-control data, although the slope parameter of the model can be consistently estimated, the intercept parameter is not identifiable, and the marginal case proportion is not estimatable, either. We consider the situations in which besides the case-control data from the main study, called internal study, there also exists summary-level information from related external studies. An empirical likelihood based approach is proposed to make inference for the logistic model by incorporating the internal case-control data and external information. We show that the intercept parameter is identifiable with the help of external information, and then all the regression parameters as well as the marginal case proportion can be estimated consistently. The proposed method also accounts for the possible variability in external studies. The resultant estimators are shown to be asymptotically normally distributed. The asymptotic variance-covariance matrix can be consistently estimated by the case-control data. The optimal way to utilized external information is discussed. Simulation studies are conducted to verify the theoretical findings. A real data set is analyzed for illustration.

Statistical significance of both the original and the replication study is a commonly used criterion to assess replication attempts, also known as the two-trials rule in drug development. However, replication studies are sometimes conducted although the original study is non-significant, in which case Type-I error rate control across both studies is no longer guaranteed. We propose an alternative method to assess replicability using the sum of p-values from the two studies. The approach provides a combined p-value and can be calibrated to control the overall Type-I error rate at the same level as the two-trials rule but allows for replication success even if the original study is non-significant. The unweighted version requires a less restrictive level of significance at replication if the original study is already convincing which facilitates sample size reductions of up to 10%. Downweighting the original study accounts for possible bias and requires a more stringent significance level and larger samples sizes at replication. Data from four large-scale replication projects are used to illustrate and compare the proposed method with the two-trials rule, meta-analysis and Fisher's combination method.

Predictive posterior densities (PPDs) are of interest in approximate Bayesian inference. Typically, these are estimated by simple Monte Carlo (MC) averages using samples from the approximate posterior. We observe that the signal-to-noise ratio (SNR) of such estimators can be extremely low. An analysis for exact inference reveals SNR decays exponentially as there is an increase in (a) the mismatch between training and test data, (b) the dimensionality of the latent space, or (c) the size of the test data relative to the training data. Further analysis extends these results to approximate inference. To remedy the low SNR problem, we propose replacing simple MC sampling with importance sampling using a proposal distribution optimized at test time on a variational proxy for the SNR and demonstrate that this yields greatly improved estimates.

In large-scale systems there are fundamental challenges when centralised techniques are used for task allocation. The number of interactions is limited by resource constraints such as on computation, storage, and network communication. We can increase scalability by implementing the system as a distributed task-allocation system, sharing tasks across many agents. However, this also increases the resource cost of communications and synchronisation, and is difficult to scale. In this paper we present four algorithms to solve these problems. The combination of these algorithms enable each agent to improve their task allocation strategy through reinforcement learning, while changing how much they explore the system in response to how optimal they believe their current strategy is, given their past experience. We focus on distributed agent systems where the agents' behaviours are constrained by resource usage limits, limiting agents to local rather than system-wide knowledge. We evaluate these algorithms in a simulated environment where agents are given a task composed of multiple subtasks that must be allocated to other agents with differing capabilities, to then carry out those tasks. We also simulate real-life system effects such as networking instability. Our solution is shown to solve the task allocation problem to 6.7% of the theoretical optimal within the system configurations considered. It provides 5x better performance recovery over no-knowledge retention approaches when system connectivity is impacted, and is tested against systems up to 100 agents with less than a 9% impact on the algorithms' performance.

Hashing has been widely used in approximate nearest search for large-scale database retrieval for its computation and storage efficiency. Deep hashing, which devises convolutional neural network architecture to exploit and extract the semantic information or feature of images, has received increasing attention recently. In this survey, several deep supervised hashing methods for image retrieval are evaluated and I conclude three main different directions for deep supervised hashing methods. Several comments are made at the end. Moreover, to break through the bottleneck of the existing hashing methods, I propose a Shadow Recurrent Hashing(SRH) method as a try. Specifically, I devise a CNN architecture to extract the semantic features of images and design a loss function to encourage similar images projected close. To this end, I propose a concept: shadow of the CNN output. During optimization process, the CNN output and its shadow are guiding each other so as to achieve the optimal solution as much as possible. Several experiments on dataset CIFAR-10 show the satisfying performance of SRH.