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The autoregressive moving average (ARMA) model is a classical, and arguably one of the most studied approaches to model time series data. It has compelling theoretical properties and is widely used among practitioners. More recent deep learning approaches popularize recurrent neural networks (RNNs) and, in particular, Long Short-Term Memory (LSTM) cells that have become one of the best performing and most common building blocks in neural time series modeling. While advantageous for time series data or sequences with long-term effects, complex RNN cells are not always a must and can sometimes even be inferior to simpler recurrent approaches. In this work, we introduce the ARMA cell, a simpler, modular, and effective approach for time series modeling in neural networks. This cell can be used in any neural network architecture where recurrent structures are present and naturally handles multivariate time series using vector autoregression. We also introduce the ConvARMA cell as a natural successor for spatially-correlated time series. Our experiments show that the proposed methodology is competitive with popular alternatives in terms of performance while being more robust and compelling due to its simplicity

Auditory spatial attention detection (ASAD) is used to determine the direction of a listener's attention to a speaker by analyzing her/his electroencephalographic (EEG) signals. This study aimed to further improve the performance of ASAD with a short decision window (i.e., <1 s) rather than with long decision windows in previous studies. An end-to-end temporal attention network (i.e., TAnet) was introduced in this work. TAnet employs a multi-head attention (MHA) mechanism, which can more effectively capture the interactions among time steps in collected EEG signals and efficiently assign corresponding weights to those EEG time steps. Experiments demonstrated that, compared with the CNN-based method and recent ASAD methods, TAnet provided improved decoding performance in the KUL dataset, with decoding accuracies of 92.4% (decision window 0.1 s), 94.9% (0.25 s), 95.1% (0.3 s), 95.4% (0.4 s), and 95.5% (0.5 s) with short decision windows (i.e., <1 s). As a new ASAD model with a short decision window, TAnet can potentially facilitate the design of EEG-controlled intelligent hearing aids and sound recognition systems.

We introduce a novel method that combines differential geometry, kernels smoothing, and spectral analysis to quantify facial muscle activity from widely accessible video recordings, such as those captured on personal smartphones. Our approach emphasizes practicality and accessibility. It has significant potential for applications in national security and plastic surgery. Additionally, it offers remote diagnosis and monitoring for medical conditions such as stroke, Bell's palsy, and acoustic neuroma. Moreover, it is adept at detecting and classifying emotions, from the overt to the subtle. The proposed face muscle analysis technique is an explainable alternative to deep learning methods and a non-invasive substitute to facial electromyography (fEMG).

Scaling laws have been recently employed to derive compute-optimal model size (number of parameters) for a given compute duration. We advance and refine such methods to infer compute-optimal model shapes, such as width and depth, and successfully implement this in vision transformers. Our shape-optimized vision transformer, SoViT, achieves results competitive with models that exceed twice its size, despite being pre-trained with an equivalent amount of compute. For example, SoViT-400m/14 achieves 90.3% fine-tuning accuracy on ILSRCV2012, surpassing the much larger ViT-g/14 and approaching ViT-G/14 under identical settings, with also less than half the inference cost. We conduct a thorough evaluation across multiple tasks, such as image classification, captioning, VQA and zero-shot transfer, demonstrating the effectiveness of our model across a broad range of domains and identifying limitations. Overall, our findings challenge the prevailing approach of blindly scaling up vision models and pave a path for a more informed scaling.

Machine learning, particularly graph learning, is gaining increasing recognition for its transformative impact across various fields. One such promising application is in the realm of molecule design and discovery, notably within the pharmaceutical industry. Our survey offers a comprehensive overview of state-of-the-art methods in molecule design, particularly focusing on \emph{de novo} drug design, which incorporates (deep) graph learning techniques. We categorize these methods into three distinct groups: \emph{i)} \emph{all-at-once}, \emph{ii)} \emph{fragment-based}, and \emph{iii)} \emph{node-by-node}. Additionally, we introduce some key public datasets and outline the commonly used evaluation metrics for both the generation and optimization of molecules. In the end, we discuss the existing challenges in this field and suggest potential directions for future research.

Stock trend classification remains a fundamental yet challenging task, owing to the intricate time-evolving dynamics between and within stocks. To tackle these two challenges, we propose a graph-based representation learning approach aimed at predicting the future movements of multiple stocks. Initially, we model the complex time-varying relationships between stocks by generating dynamic multi-relational stock graphs. This is achieved through a novel edge generation algorithm that leverages information entropy and signal energy to quantify the intensity and directionality of inter-stock relations on each trading day. Then, we further refine these initial graphs through a stochastic multi-relational diffusion process, adaptively learning task-optimal edges. Subsequently, we implement a decoupled representation learning scheme with parallel retention to obtain the final graph representation. This strategy better captures the unique temporal features within individual stocks while also capturing the overall structure of the stock graph. Comprehensive experiments conducted on real-world datasets from two US markets (NASDAQ and NYSE) and one Chinese market (Shanghai Stock Exchange: SSE) validate the effectiveness of our method. Our approach consistently outperforms state-of-the-art baselines in forecasting next trading day stock trends across three test periods spanning seven years. Datasets and code have been released (//github.com/pixelhero98/MGDPR).

Transformer architectures have facilitated the development of large-scale and general-purpose sequence models for prediction tasks in natural language processing and computer vision, e.g., GPT-3 and Swin Transformer. Although originally designed for prediction problems, it is natural to inquire about their suitability for sequential decision-making and reinforcement learning problems, which are typically beset by long-standing issues involving sample efficiency, credit assignment, and partial observability. In recent years, sequence models, especially the Transformer, have attracted increasing interest in the RL communities, spawning numerous approaches with notable effectiveness and generalizability. This survey presents a comprehensive overview of recent works aimed at solving sequential decision-making tasks with sequence models such as the Transformer, by discussing the connection between sequential decision-making and sequence modeling, and categorizing them based on the way they utilize the Transformer. Moreover, this paper puts forth various potential avenues for future research intending to improve the effectiveness of large sequence models for sequential decision-making, encompassing theoretical foundations, network architectures, algorithms, and efficient training systems. As this article has been accepted by the Frontiers of Computer Science, here is an early version, and the most up-to-date version can be found at //journal.hep.com.cn/fcs/EN/10.1007/s11704-023-2689-5

Graphs are used widely to model complex systems, and detecting anomalies in a graph is an important task in the analysis of complex systems. Graph anomalies are patterns in a graph that do not conform to normal patterns expected of the attributes and/or structures of the graph. In recent years, graph neural networks (GNNs) have been studied extensively and have successfully performed difficult machine learning tasks in node classification, link prediction, and graph classification thanks to the highly expressive capability via message passing in effectively learning graph representations. To solve the graph anomaly detection problem, GNN-based methods leverage information about the graph attributes (or features) and/or structures to learn to score anomalies appropriately. In this survey, we review the recent advances made in detecting graph anomalies using GNN models. Specifically, we summarize GNN-based methods according to the graph type (i.e., static and dynamic), the anomaly type (i.e., node, edge, subgraph, and whole graph), and the network architecture (e.g., graph autoencoder, graph convolutional network). To the best of our knowledge, this survey is the first comprehensive review of graph anomaly detection methods based on GNNs.

The existence of representative datasets is a prerequisite of many successful artificial intelligence and machine learning models. However, the subsequent application of these models often involves scenarios that are inadequately represented in the data used for training. The reasons for this are manifold and range from time and cost constraints to ethical considerations. As a consequence, the reliable use of these models, especially in safety-critical applications, is a huge challenge. Leveraging additional, already existing sources of knowledge is key to overcome the limitations of purely data-driven approaches, and eventually to increase the generalization capability of these models. Furthermore, predictions that conform with knowledge are crucial for making trustworthy and safe decisions even in underrepresented scenarios. This work provides an overview of existing techniques and methods in the literature that combine data-based models with existing knowledge. The identified approaches are structured according to the categories integration, extraction and conformity. Special attention is given to applications in the field of autonomous driving.

Traffic forecasting is an important factor for the success of intelligent transportation systems. Deep learning models including convolution neural networks and recurrent neural networks have been applied in traffic forecasting problems to model the spatial and temporal dependencies. In recent years, to model the graph structures in the transportation systems as well as the contextual information, graph neural networks (GNNs) are introduced as new tools and have achieved the state-of-the-art performance in a series of traffic forecasting problems. In this survey, we review the rapidly growing body of recent research using different GNNs, e.g., graph convolutional and graph attention networks, in various traffic forecasting problems, e.g., road traffic flow and speed forecasting, passenger flow forecasting in urban rail transit systems, demand forecasting in ride-hailing platforms, etc. We also present a collection of open data and source resources for each problem, as well as future research directions. To the best of our knowledge, this paper is the first comprehensive survey that explores the application of graph neural networks for traffic forecasting problems. We have also created a public Github repository to update the latest papers, open data and source resources.