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In the context of unsupervised learning, Lloyd's algorithm is one of the most widely used clustering algorithms. It has inspired a plethora of work investigating the correctness of the algorithm under various settings with ground truth clusters. In particular, in 2016, Lu and Zhou have shown that the mis-clustering rate of Lloyd's algorithm on $n$ independent samples from a sub-Gaussian mixture is exponentially bounded after $O(\log(n))$ iterations, assuming proper initialization of the algorithm. However, in many applications, the true samples are unobserved and need to be learned from the data via pre-processing pipelines such as spectral methods on appropriate data matrices. We show that the mis-clustering rate of Lloyd's algorithm on perturbed samples from a sub-Gaussian mixture is also exponentially bounded after $O(\log(n))$ iterations under the assumptions of proper initialization and that the perturbation is small relative to the sub-Gaussian noise. In canonical settings with ground truth clusters, we derive bounds for algorithms such as $k$-means$++$ to find good initializations and thus leading to the correctness of clustering via the main result. We show the implications of the results for pipelines measuring the statistical significance of derived clusters from data such as SigClust. We use these general results to derive implications in providing theoretical guarantees on the misclustering rate for Lloyd's algorithm in a host of applications, including high-dimensional time series, multi-dimensional scaling, and community detection for sparse networks via spectral clustering.

Efficient catalyst screening necessitates predictive models for adsorption energy, a key property of reactivity. However, prevailing methods, notably graph neural networks (GNNs), demand precise atomic coordinates for constructing graph representations, while integrating observable attributes remains challenging. This research introduces CatBERTa, an energy prediction Transformer model using textual inputs. Built on a pretrained Transformer encoder, CatBERTa processes human-interpretable text, incorporating target features. Attention score analysis reveals CatBERTa's focus on tokens related to adsorbates, bulk composition, and their interacting atoms. Moreover, interacting atoms emerge as effective descriptors for adsorption configurations, while factors such as bond length and atomic properties of these atoms offer limited predictive contributions. By predicting adsorption energy from the textual representation of initial structures, CatBERTa achieves a mean absolute error (MAE) of 0.75 eV-comparable to vanilla Graph Neural Networks (GNNs). Furthermore, the subtraction of the CatBERTa-predicted energies effectively cancels out their systematic errors by as much as 19.3% for chemically similar systems, surpassing the error reduction observed in GNNs. This outcome highlights its potential to enhance the accuracy of energy difference predictions. This research establishes a fundamental framework for text-based catalyst property prediction, without relying on graph representations, while also unveiling intricate feature-property relationships.

The Fisher-Kolmogorov equation is a diffusion-reaction PDE that is used to model the accumulation of prionic proteins, which are responsible for many different neurological disorders. Likely, the most important and studied misfolded protein in literature is the Amyloid-$\beta$, responsible for the onset of Alzheimer disease. Starting from medical images we construct a reduced-order model based on a graph brain connectome. The reaction coefficient of the proteins is modelled as a stochastic random field, taking into account all the many different underlying physical processes, which can hardly be measured. Its probability distribution is inferred by means of the Monte Carlo Markov Chain method applied to clinical data. The resulting model is patient-specific and can be employed for predicting the disease's future development. Forward uncertainty quantification techniques (Monte Carlo and sparse grid stochastic collocation) are applied with the aim of quantifying the impact of the variability of the reaction coefficient on the progression of protein accumulation within the next 20 years.

The Tucker decomposition, an extension of singular value decomposition for higher-order tensors, is a useful tool in analysis and compression of large-scale scientific data. While it has been studied extensively for static datasets, there are relatively few works addressing the computation of the Tucker factorization of streaming data tensors. In this paper we propose a new streaming Tucker algorithm tailored for scientific data, specifically for the case of a data tensor whose size increases along a single streaming mode that can grow indefinitely, which is typical of time-stepping scientific applications. At any point of this growth, we seek to compute the Tucker decomposition of the data generated thus far, without requiring storing the past tensor slices in memory. Our algorithm accomplishes this by starting with an initial Tucker decomposition and updating its components--the core tensor and factor matrices--with each new tensor slice as it becomes available, while satisfying a user-specified threshold of norm error. We present an implementation within the TuckerMPI software framework, and apply it to synthetic and combustion simulation datasets. By comparing against the standard (batch) decomposition algorithm we show that our streaming algorithm provides significant improvements in memory usage. If the tensor rank stops growing along the streaming mode, the streaming algorithm also incurs less computational time compared to the batch algorithm.

The equitable distribution of academic data is crucial for ensuring equal research opportunities, and ultimately further progress. Yet, due to the complexity of using the API for audio data that corresponds to the Million Song Dataset along with its misreporting (before 2016) and the discontinuation of this API (after 2016), access to this data has become restricted to those within certain affiliations that are connected peer-to-peer. In this paper, we delve into this issue, drawing insights from the experiences of 22 individuals who either attempted to access the data or played a role in its creation. With this, we hope to initiate more critical dialogue and more thoughtful consideration with regard to access privilege in the MIR community.

We present a linear algebra formulation of backpropagation which allows the calculation of gradients by using a generically written ``backslash'' or Gaussian elimination on triangular systems of equations. Generally, the matrix elements are operators. This paper has three contributions: (i) it is of intellectual value to replace traditional treatments of automatic differentiation with a (left acting) operator theoretic, graph-based approach; (ii) operators can be readily placed in matrices in software in programming languages such as Julia as an implementation option; (iii) we introduce a novel notation, ``transpose dot'' operator ``$\{\}^{T_\bullet}$'' that allows for the reversal of operators. We further demonstrate the elegance of the operators approach in a suitable programming language consisting of generic linear algebra operators such as Julia \cite{bezanson2017julia}, and that it is possible to realize this abstraction in code. Our implementation shows how generic linear algebra can allow operators as elements of matrices. In contrast to ``operator overloading,'' where backslash would normally have to be rewritten to take advantage of operators, with ``generic programming'' there is no such need.

In multi-turn dialog, utterances do not always take the full form of sentences \cite{Carbonell1983DiscoursePA}, which naturally makes understanding the dialog context more difficult. However, it is essential to fully grasp the dialog context to generate a reasonable response. Hence, in this paper, we propose to improve the response generation performance by examining the model's ability to answer a reading comprehension question, where the question is focused on the omitted information in the dialog. Enlightened by the multi-task learning scheme, we propose a joint framework that unifies these two tasks, sharing the same encoder to extract the common and task-invariant features with different decoders to learn task-specific features. To better fusing information from the question and the dialog history in the encoding part, we propose to augment the Transformer architecture with a memory updater, which is designed to selectively store and update the history dialog information so as to support downstream tasks. For the experiment, we employ human annotators to write and examine a large-scale dialog reading comprehension dataset. Extensive experiments are conducted on this dataset, and the results show that the proposed model brings substantial improvements over several strong baselines on both tasks. In this way, we demonstrate that reasoning can indeed help better response generation and vice versa. We release our large-scale dataset for further research.

Few sample learning (FSL) is significant and challenging in the field of machine learning. The capability of learning and generalizing from very few samples successfully is a noticeable demarcation separating artificial intelligence and human intelligence since humans can readily establish their cognition to novelty from just a single or a handful of examples whereas machine learning algorithms typically entail hundreds or thousands of supervised samples to guarantee generalization ability. Despite the long history dated back to the early 2000s and the widespread attention in recent years with booming deep learning technologies, little surveys or reviews for FSL are available until now. In this context, we extensively review 200+ papers of FSL spanning from the 2000s to 2019 and provide a timely and comprehensive survey for FSL. In this survey, we review the evolution history as well as the current progress on FSL, categorize FSL approaches into the generative model based and discriminative model based kinds in principle, and emphasize particularly on the meta learning based FSL approaches. We also summarize several recently emerging extensional topics of FSL and review the latest advances on these topics. Furthermore, we highlight the important FSL applications covering many research hotspots in computer vision, natural language processing, audio and speech, reinforcement learning and robotic, data analysis, etc. Finally, we conclude the survey with a discussion on promising trends in the hope of providing guidance and insights to follow-up researches.

Compared with cheap addition operation, multiplication operation is of much higher computation complexity. The widely-used convolutions in deep neural networks are exactly cross-correlation to measure the similarity between input feature and convolution filters, which involves massive multiplications between float values. In this paper, we present adder networks (AdderNets) to trade these massive multiplications in deep neural networks, especially convolutional neural networks (CNNs), for much cheaper additions to reduce computation costs. In AdderNets, we take the $\ell_1$-norm distance between filters and input feature as the output response. The influence of this new similarity measure on the optimization of neural network have been thoroughly analyzed. To achieve a better performance, we develop a special back-propagation approach for AdderNets by investigating the full-precision gradient. We then propose an adaptive learning rate strategy to enhance the training procedure of AdderNets according to the magnitude of each neuron's gradient. As a result, the proposed AdderNets can achieve 74.9% Top-1 accuracy 91.7% Top-5 accuracy using ResNet-50 on the ImageNet dataset without any multiplication in convolution layer.

Object detection typically assumes that training and test data are drawn from an identical distribution, which, however, does not always hold in practice. Such a distribution mismatch will lead to a significant performance drop. In this work, we aim to improve the cross-domain robustness of object detection. We tackle the domain shift on two levels: 1) the image-level shift, such as image style, illumination, etc, and 2) the instance-level shift, such as object appearance, size, etc. We build our approach based on the recent state-of-the-art Faster R-CNN model, and design two domain adaptation components, on image level and instance level, to reduce the domain discrepancy. The two domain adaptation components are based on H-divergence theory, and are implemented by learning a domain classifier in adversarial training manner. The domain classifiers on different levels are further reinforced with a consistency regularization to learn a domain-invariant region proposal network (RPN) in the Faster R-CNN model. We evaluate our newly proposed approach using multiple datasets including Cityscapes, KITTI, SIM10K, etc. The results demonstrate the effectiveness of our proposed approach for robust object detection in various domain shift scenarios.