应用分层聚类算法所需的时间最常由成对差异度量的计算数量主导。对于较大的数据集,这种约束使所有经典链接标准的使用都处于不利地位。但是,众所周知,单个连锁聚类算法对离群值非常敏感,产生高度偏斜的树状图,因此通常不会反映出真正的潜在数据结构 - 除非簇分离良好。为了克服其局限性,我们提出了一个名为Genie的新的分层聚类链接标准。也就是说,我们的算法将两个簇链接在一起,以至于选择的经济不平等度量(例如,gini-或bonferroni index)的群集大小不会大大增加超过给定阈值。提出的基准表明引入的方法具有很高的实际实用性:它通常优于病房或平均链接的聚类质量,同时保持单个连锁的速度。 Genie算法很容易平行,因此可以在多个线程上运行以进一步加快其执行。它的内存开销很小:无需预先计算完整的距离矩阵即可执行计算以获得所需的群集。它可以应用于配备有差异度量的任意空间,例如,在实际矢量,DNA或蛋白质序列,图像,排名,信息图数据等上。有关R。另请参见https://genieclust.gagolewski.com有关新的实施(GenieClust) - 可用于R和Python。
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内部群集有效性度量(例如Calinski-Harabasz,Dunn或Davies-Bouldin指数)经常用于选择适当数量的分区数量,应将数据集分为二。在本文中,我们考虑如果将这些索引视为无监督学习活动中的客观功能会发生什么。关于轮廓指数的最佳分组是否真的有意义?事实证明,许多群集有效性指数促进了聚类,这些聚类与专家知识相匹配。我们还引入了邓恩指数的一个新的,表现出色的变体,该变体是建立在OWA操作员和接近邻居图的基础上的,因此,无论其形状如何,都可以更好地相互分离。
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This short report reviews the current state of the research and methodology on theoretical and practical aspects of Artificial Neural Networks (ANN). It was prepared to gather state-of-the-art knowledge needed to construct complex, hypercomplex and fuzzy neural networks. The report reflects the individual interests of the authors and, by now means, cannot be treated as a comprehensive review of the ANN discipline. Considering the fast development of this field, it is currently impossible to do a detailed review of a considerable number of pages. The report is an outcome of the Project 'The Strategic Research Partnership for the mathematical aspects of complex, hypercomplex and fuzzy neural networks' meeting at the University of Warmia and Mazury in Olsztyn, Poland, organized in September 2022.
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Transfer learning is a popular technique for improving the performance of neural networks. However, existing methods are limited to transferring parameters between networks with same architectures. We present a method for transferring parameters between neural networks with different architectures. Our method, called DPIAT, uses dynamic programming to match blocks and layers between architectures and transfer parameters efficiently. Compared to existing parameter prediction and random initialization methods, it significantly improves training efficiency and validation accuracy. In experiments on ImageNet, our method improved validation accuracy by an average of 1.6 times after 50 epochs of training. DPIAT allows both researchers and neural architecture search systems to modify trained networks and reuse knowledge, avoiding the need for retraining from scratch. We also introduce a network architecture similarity measure, enabling users to choose the best source network without any training.
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Petrov-Galerkin formulations with optimal test functions allow for the stabilization of finite element simulations. In particular, given a discrete trial space, the optimal test space induces a numerical scheme delivering the best approximation in terms of a problem-dependent energy norm. This ideal approach has two shortcomings: first, we need to explicitly know the set of optimal test functions; and second, the optimal test functions may have large supports inducing expensive dense linear systems. Nevertheless, parametric families of PDEs are an example where it is worth investing some (offline) computational effort to obtain stabilized linear systems that can be solved efficiently, for a given set of parameters, in an online stage. Therefore, as a remedy for the first shortcoming, we explicitly compute (offline) a function mapping any PDE-parameter, to the matrix of coefficients of optimal test functions (in a basis expansion) associated with that PDE-parameter. Next, as a remedy for the second shortcoming, we use the low-rank approximation to hierarchically compress the (non-square) matrix of coefficients of optimal test functions. In order to accelerate this process, we train a neural network to learn a critical bottleneck of the compression algorithm (for a given set of PDE-parameters). When solving online the resulting (compressed) Petrov-Galerkin formulation, we employ a GMRES iterative solver with inexpensive matrix-vector multiplications thanks to the low-rank features of the compressed matrix. We perform experiments showing that the full online procedure as fast as the original (unstable) Galerkin approach. In other words, we get the stabilization with hierarchical matrices and neural networks practically for free. We illustrate our findings by means of 2D Eriksson-Johnson and Hemholtz model problems.
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Graph Neural Networks (GNNs) are a family of graph networks inspired by mechanisms existing between nodes on a graph. In recent years there has been an increased interest in GNN and their derivatives, i.e., Graph Attention Networks (GAT), Graph Convolutional Networks (GCN), and Graph Recurrent Networks (GRN). An increase in their usability in computer vision is also observed. The number of GNN applications in this field continues to expand; it includes video analysis and understanding, action and behavior recognition, computational photography, image and video synthesis from zero or few shots, and many more. This contribution aims to collect papers published about GNN-based approaches towards computer vision. They are described and summarized from three perspectives. Firstly, we investigate the architectures of Graph Neural Networks and their derivatives used in this area to provide accurate and explainable recommendations for the ensuing investigations. As for the other aspect, we also present datasets used in these works. Finally, using graph analysis, we also examine relations between GNN-based studies in computer vision and potential sources of inspiration identified outside of this field.
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Recently proposed systems for open-domain question answering (OpenQA) require large amounts of training data to achieve state-of-the-art performance. However, data annotation is known to be time-consuming and therefore expensive to acquire. As a result, the appropriate datasets are available only for a handful of languages (mainly English and Chinese). In this work, we introduce and publicly release PolQA, the first Polish dataset for OpenQA. It consists of 7,000 questions, 87,525 manually labeled evidence passages, and a corpus of over 7,097,322 candidate passages. Each question is classified according to its formulation, type, as well as entity type of the answer. This resource allows us to evaluate the impact of different annotation choices on the performance of the QA system and propose an efficient annotation strategy that increases the passage retrieval performance by 10.55 p.p. while reducing the annotation cost by 82%.
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A generalized understanding of protein dynamics is an unsolved scientific problem, the solution of which is critical to the interpretation of the structure-function relationships that govern essential biological processes. Here, we approach this problem by constructing coarse-grained molecular potentials based on artificial neural networks and grounded in statistical mechanics. For training, we build a unique dataset of unbiased all-atom molecular dynamics simulations of approximately 9 ms for twelve different proteins with multiple secondary structure arrangements. The coarse-grained models are capable of accelerating the dynamics by more than three orders of magnitude while preserving the thermodynamics of the systems. Coarse-grained simulations identify relevant structural states in the ensemble with comparable energetics to the all-atom systems. Furthermore, we show that a single coarse-grained potential can integrate all twelve proteins and can capture experimental structural features of mutated proteins. These results indicate that machine learning coarse-grained potentials could provide a feasible approach to simulate and understand protein dynamics.
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Front-door adjustment is a classic technique to estimate causal effects from a specified directed acyclic graph (DAG) and observed data. The advantage of this approach is that it uses observed mediators to identify causal effects, which is possible even in the presence of unobserved confounding. While the statistical properties of the front-door estimation are quite well understood, its algorithmic aspects remained unexplored for a long time. Recently, Jeong, Tian, and Barenboim [NeurIPS 2022] have presented the first polynomial-time algorithm for finding sets satisfying the front-door criterion in a given DAG, with an $O(n^3(n+m))$ run time, where $n$ denotes the number of variables and $m$ the number of edges of the graph. In our work, we give the first linear-time, i.e. $O(n+m)$, algorithm for this task, which thus reaches the asymptotically optimal time complexity, as the size of the input is $\Omega(n+m)$. We also provide an algorithm to enumerate all front-door adjustment sets in a given DAG with delay $O(n(n + m))$. These results improve the algorithms by Jeong et al. [2022] for the two tasks by a factor of $n^3$, respectively.
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Image super-resolution is a common task on mobile and IoT devices, where one often needs to upscale and enhance low-resolution images and video frames. While numerous solutions have been proposed for this problem in the past, they are usually not compatible with low-power mobile NPUs having many computational and memory constraints. In this Mobile AI challenge, we address this problem and propose the participants to design an efficient quantized image super-resolution solution that can demonstrate a real-time performance on mobile NPUs. The participants were provided with the DIV2K dataset and trained INT8 models to do a high-quality 3X image upscaling. The runtime of all models was evaluated on the Synaptics VS680 Smart Home board with a dedicated edge NPU capable of accelerating quantized neural networks. All proposed solutions are fully compatible with the above NPU, demonstrating an up to 60 FPS rate when reconstructing Full HD resolution images. A detailed description of all models developed in the challenge is provided in this paper.
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