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Social media data is plagued by the redundancy problem caused by its noisy nature, leading to increased training time and model bias. To address this issue, we propose a novel approach called generative deduplication. It aims to remove duplicate text from noisy social media data and mitigate model bias. By doing so, it can improve social media language understanding performance and save training time. Extensive experiments demonstrate that the proposed generative deduplication can effectively reduce training samples while improving performance. This evidence suggests the effectiveness of generative deduplication and its importance in social media language understanding.

When deploying machine learning solutions, they must satisfy multiple requirements beyond accuracy, such as fairness, robustness, or safety. These requirements are imposed during training either implicitly, using penalties, or explicitly, using constrained optimization methods based on Lagrangian duality. Either way, specifying requirements is hindered by the presence of compromises and limited prior knowledge about the data. Furthermore, their impact on performance can often only be evaluated by actually solving the learning problem. This paper presents a constrained learning approach that adapts the requirements while simultaneously solving the learning task. To do so, it relaxes the learning constraints in a way that contemplates how much they affect the task at hand by balancing the performance gains obtained from the relaxation against a user-defined cost of that relaxation. We call this approach resilient constrained learning after the term used to describe ecological systems that adapt to disruptions by modifying their operation. We show conditions under which this balance can be achieved and introduce a practical algorithm to compute it, for which we derive approximation and generalization guarantees. We showcase the advantages of this resilient learning method in image classification tasks involving multiple potential invariances and in heterogeneous federated learning.

Comparing spatial data sets is a ubiquitous task in data analysis, however the presence of spatial autocorrelation means that standard estimates of variance will be wrong and tend to over-estimate the statistical significance of correlations and other observations. While there are a number of existing approaches to this problem, none are ideal, requiring detailed analytical calculations, which are hard to generalise or detailed knowledge of the data generating process, which may not be available. In this work we propose a resampling approach based on Tobler's Law. By resampling the data with fixed spatial autocorrelation, measured by Moran's I, we generate a more realistic null model. Testing on real and synthetic data, we find that, as long as the spatial autocorrelation is not too strong, this approach works just as well as if we knew the data generating process.

Medication recommendation is a fundamental yet crucial branch of healthcare, which provides opportunities to support clinical physicians with more accurate medication prescriptions for patients with complex health conditions. Learning from electronic health records (EHR) to recommend medications is the most common way in previous studies. However, most of them neglect incorporating domain knowledge according to the clinical manifestations in the EHR of the patient. To address these issues, we propose a novel \textbf{D}omain \textbf{K}nowledge \textbf{I}nformed \textbf{Net}work (DKINet) to integrate domain knowledge with observable clinical manifestations of the patient, which is the first dynamic domain knowledge informed framework toward medication recommendation. In particular, we first design a knowledge-driven encoder to capture the domain information and then develop a data-driven encoder to integrate domain knowledge into the observable EHR. To endow the model with the capability of temporal decision, we design an explicit medication encoder for learning the longitudinal dependence of the patient. Extensive experiments on three publicly available datasets verify the superiority of our method. The code will be public upon acceptance.

Neural network generalizability is becoming a broad research field due to the increasing availability of datasets from different sources and for various tasks. This issue is even wider when processing medical data, where a lack of methodological standards causes large variations being provided by different imaging centers or acquired with various devices and cofactors. To overcome these limitations, we introduce a novel, generalizable, data- and task-agnostic framework able to extract salient features from medical images. The proposed quaternion wavelet network (QUAVE) can be easily integrated with any pre-existing medical image analysis or synthesis task, and it can be involved with real, quaternion, or hypercomplex-valued models, generalizing their adoption to single-channel data. QUAVE first extracts different sub-bands through the quaternion wavelet transform, resulting in both low-frequency/approximation bands and high-frequency/fine-grained features. Then, it weighs the most representative set of sub-bands to be involved as input to any other neural model for image processing, replacing standard data samples. We conduct an extensive experimental evaluation comprising different datasets, diverse image analysis, and synthesis tasks including reconstruction, segmentation, and modality translation. We also evaluate QUAVE in combination with both real and quaternion-valued models. Results demonstrate the effectiveness and the generalizability of the proposed framework that improves network performance while being flexible to be adopted in manifold scenarios and robust to domain shifts. The full code is available at: //github.com/ispamm/QWT.

The machine learning community has witnessed a drastic change in the training pipeline, pivoted by those ''foundation models'' with unprecedented scales. However, the field of adversarial training is lagging behind, predominantly centered around small model sizes like ResNet-50, and tiny and low-resolution datasets like CIFAR-10. To bridge this transformation gap, this paper provides a modern re-examination with adversarial training, investigating its potential benefits when applied at scale. Additionally, we introduce an efficient and effective training strategy to enable adversarial training with giant models and web-scale data at an affordable computing cost. We denote this newly introduced framework as AdvXL. Empirical results demonstrate that AdvXL establishes new state-of-the-art robust accuracy records under AutoAttack on ImageNet-1K. For example, by training on DataComp-1B dataset, our AdvXL empowers a vanilla ViT-g model to substantially surpass the previous records of $l_{\infty}$-, $l_{2}$-, and $l_{1}$-robust accuracy by margins of 11.4%, 14.2% and 12.9%, respectively. This achievement posits AdvXL as a pioneering approach, charting a new trajectory for the efficient training of robust visual representations at significantly larger scales. Our code is available at //github.com/UCSC-VLAA/AdvXL.

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.

The adaptive processing of structured data is a long-standing research topic in machine learning that investigates how to automatically learn a mapping from a structured input to outputs of various nature. Recently, there has been an increasing interest in the adaptive processing of graphs, which led to the development of different neural network-based methodologies. In this thesis, we take a different route and develop a Bayesian Deep Learning framework for graph learning. The dissertation begins with a review of the principles over which most of the methods in the field are built, followed by a study on graph classification reproducibility issues. We then proceed to bridge the basic ideas of deep learning for graphs with the Bayesian world, by building our deep architectures in an incremental fashion. This framework allows us to consider graphs with discrete and continuous edge features, producing unsupervised embeddings rich enough to reach the state of the art on several classification tasks. Our approach is also amenable to a Bayesian nonparametric extension that automatizes the choice of almost all model's hyper-parameters. Two real-world applications demonstrate the efficacy of deep learning for graphs. The first concerns the prediction of information-theoretic quantities for molecular simulations with supervised neural models. After that, we exploit our Bayesian models to solve a malware-classification task while being robust to intra-procedural code obfuscation techniques. We conclude the dissertation with an attempt to blend the best of the neural and Bayesian worlds together. The resulting hybrid model is able to predict multimodal distributions conditioned on input graphs, with the consequent ability to model stochasticity and uncertainty better than most works. Overall, we aim to provide a Bayesian perspective into the articulated research field of deep learning for graphs.

The conjoining of dynamical systems and deep learning has become a topic of great interest. In particular, neural differential equations (NDEs) demonstrate that neural networks and differential equation are two sides of the same coin. Traditional parameterised differential equations are a special case. Many popular neural network architectures, such as residual networks and recurrent networks, are discretisations. NDEs are suitable for tackling generative problems, dynamical systems, and time series (particularly in physics, finance, ...) and are thus of interest to both modern machine learning and traditional mathematical modelling. NDEs offer high-capacity function approximation, strong priors on model space, the ability to handle irregular data, memory efficiency, and a wealth of available theory on both sides. This doctoral thesis provides an in-depth survey of the field. Topics include: neural ordinary differential equations (e.g. for hybrid neural/mechanistic modelling of physical systems); neural controlled differential equations (e.g. for learning functions of irregular time series); and neural stochastic differential equations (e.g. to produce generative models capable of representing complex stochastic dynamics, or sampling from complex high-dimensional distributions). Further topics include: numerical methods for NDEs (e.g. reversible differential equations solvers, backpropagation through differential equations, Brownian reconstruction); symbolic regression for dynamical systems (e.g. via regularised evolution); and deep implicit models (e.g. deep equilibrium models, differentiable optimisation). We anticipate this thesis will be of interest to anyone interested in the marriage of deep learning with dynamical systems, and hope it will provide a useful reference for the current state of the art.

Link prediction for knowledge graphs is the task of predicting missing relationships between entities. Previous work on link prediction has focused on shallow, fast models which can scale to large knowledge graphs. However, these models learn less expressive features than deep, multi-layer models -- which potentially limits performance. In this work, we introduce ConvE, a multi-layer convolutional network model for link prediction, and report state-of-the-art results for several established datasets. We also show that the model is highly parameter efficient, yielding the same performance as DistMult and R-GCN with 8x and 17x fewer parameters. Analysis of our model suggests that it is particularly effective at modelling nodes with high indegree -- which are common in highly-connected, complex knowledge graphs such as Freebase and YAGO3. In addition, it has been noted that the WN18 and FB15k datasets suffer from test set leakage, due to inverse relations from the training set being present in the test set -- however, the extent of this issue has so far not been quantified. We find this problem to be severe: a simple rule-based model can achieve state-of-the-art results on both WN18 and FB15k. To ensure that models are evaluated on datasets where simply exploiting inverse relations cannot yield competitive results, we investigate and validate several commonly used datasets -- deriving robust variants where necessary. We then perform experiments on these robust datasets for our own and several previously proposed models, and find that ConvE achieves state-of-the-art Mean Reciprocal Rank across all datasets.