Transfer entropy (TE) is a measurement in information theory that reveals the directional flow of information between processes, providing valuable insights for a wide range of real-world applications. This work proposes Transfer Entropy Estimation via Transformers (TREET), a novel transformer-based approach for estimating the TE for stationary processes. The proposed approach employs Donsker-Vardhan (DV) representation to TE and leverages the attention mechanism for the task of neural estimation. We propose a detailed theoretical and empirical study of the TREET, comparing it to existing methods. To increase its applicability, we design an estimated TE optimization scheme that is motivated by the functional representation lemma. Afterwards, we take advantage of the joint optimization scheme to optimize the capacity of communication channels with memory, which is a canonical optimization problem in information theory, and show the memory capabilities of our estimator. Finally, we apply TREET to real-world feature analysis. Our work, applied with state-of-the-art deep learning methods, opens a new door for communication problems which are yet to be solved.
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Resonant beam communications (RBCom), which adopt oscillating photons between two separate retroreflectors for information transmission, exhibit potential advantages over other types of wireless optical communications (WOC). However, echo interference generated by the modulated beam reflected from the receiver affects the transmission of the desired information. To tackle this challenge, a synchronization-based point-to-point RBCom system is proposed to eliminate the echo interference, and the design for the transmitter and receiver is discussed. Subsequently, the performance of the proposed RBCom is evaluated and compared with that of visible light communications (VLC) and free space optical communications (FOC). Finally, future research directions are outlined and several implementation challenges of RBCom systems are highlighted.
The introduction of large language models (LLMs) has advanced natural language processing (NLP), but their effectiveness is largely dependent on pre-training resources. This is especially evident in low-resource languages, such as Sinhala, which face two primary challenges: the lack of substantial training data and limited benchmarking datasets. In response, this study introduces NSINA, a comprehensive news corpus of over 500,000 articles from popular Sinhala news websites, along with three NLP tasks: news media identification, news category prediction, and news headline generation. The release of NSINA aims to provide a solution to challenges in adapting LLMs to Sinhala, offering valuable resources and benchmarks for improving NLP in the Sinhala language. NSINA is the largest news corpus for Sinhala, available up to date.
Vehicle trajectory prediction has increasingly relied on data-driven solutions, but their ability to scale to different data domains and the impact of larger dataset sizes on their generalization remain under-explored. While these questions can be studied by employing multiple datasets, it is challenging due to several discrepancies, \textit{e.g.,} in data formats, map resolution, and semantic annotation types. To address these challenges, we introduce UniTraj, a comprehensive framework that unifies various datasets, models, and evaluation criteria, presenting new opportunities for the vehicle trajectory prediction field. In particular, using UniTraj, we conduct extensive experiments and find that model performance significantly drops when transferred to other datasets. However, enlarging data size and diversity can substantially improve performance, leading to a new state-of-the-art result for the nuScenes dataset. We provide insights into dataset characteristics to explain these findings. The code can be found here: \hyperlink{//github.com/vita-epfl/UniTraj}{//github.com/vita-epfl/UniTraj}.
Canonical morphological segmentation is the process of analyzing words into the standard (aka underlying) forms of their constituent morphemes. This is a core task in language documentation, and NLP systems have the potential to dramatically speed up this process. But in typical language documentation settings, training data for canonical morpheme segmentation is scarce, making it difficult to train high quality models. However, translation data is often much more abundant, and, in this work, we present a method that attempts to leverage this data in the canonical segmentation task. We propose a character-level sequence-to-sequence model that incorporates representations of translations obtained from pretrained high-resource monolingual language models as an additional signal. Our model outperforms the baseline in a super-low resource setting but yields mixed results on training splits with more data. While further work is needed to make translations useful in higher-resource settings, our model shows promise in severely resource-constrained settings.
Supervised machine learning approaches have been increasingly used in accelerating electronic structure prediction as surrogates of first-principle computational methods, such as density functional theory (DFT). While numerous quantum chemistry datasets focus on chemical properties and atomic forces, the ability to achieve accurate and efficient prediction of the Hamiltonian matrix is highly desired, as it is the most important and fundamental physical quantity that determines the quantum states of physical systems and chemical properties. In this work, we generate a new Quantum Hamiltonian dataset, named as QH9, to provide precise Hamiltonian matrices for 999 or 2998 molecular dynamics trajectories and 130,831 stable molecular geometries, based on the QM9 dataset. By designing benchmark tasks with various molecules, we show that current machine learning models have the capacity to predict Hamiltonian matrices for arbitrary molecules. Both the QH9 dataset and the baseline models are provided to the community through an open-source benchmark, which can be highly valuable for developing machine learning methods and accelerating molecular and materials design for scientific and technological applications. Our benchmark is publicly available at //github.com/divelab/AIRS/tree/main/OpenDFT/QHBench.
Causal Machine Learning (CausalML) is an umbrella term for machine learning methods that formalize the data-generation process as a structural causal model (SCM). This allows one to reason about the effects of changes to this process (i.e., interventions) and what would have happened in hindsight (i.e., counterfactuals). We categorize work in \causalml into five groups according to the problems they tackle: (1) causal supervised learning, (2) causal generative modeling, (3) causal explanations, (4) causal fairness, (5) causal reinforcement learning. For each category, we systematically compare its methods and point out open problems. Further, we review modality-specific applications in computer vision, natural language processing, and graph representation learning. Finally, we provide an overview of causal benchmarks and a critical discussion of the state of this nascent field, including recommendations for future work.
Image segmentation is a key topic in image processing and computer vision with applications such as scene understanding, medical image analysis, robotic perception, video surveillance, augmented reality, and image compression, among many others. Various algorithms for image segmentation have been developed in the literature. Recently, due to the success of deep learning models in a wide range of vision applications, there has been a substantial amount of works aimed at developing image segmentation approaches using deep learning models. In this survey, we provide a comprehensive review of the literature at the time of this writing, covering a broad spectrum of pioneering works for semantic and instance-level segmentation, including fully convolutional pixel-labeling networks, encoder-decoder architectures, multi-scale and pyramid based approaches, recurrent networks, visual attention models, and generative models in adversarial settings. We investigate the similarity, strengths and challenges of these deep learning models, examine the most widely used datasets, report performances, and discuss promising future research directions in this area.
The design of deep graph models still remains to be investigated and the crucial part is how to explore and exploit the knowledge from different hops of neighbors in an efficient way. In this paper, we propose a novel RNN-like deep graph neural network architecture by incorporating AdaBoost into the computation of network; and the proposed graph convolutional network called AdaGCN~(AdaBoosting Graph Convolutional Network) has the ability to efficiently extract knowledge from high-order neighbors and integrate knowledge from different hops of neighbors into the network in an AdaBoost way. We also present the architectural difference between AdaGCN and existing graph convolutional methods to show the benefits of our proposal. Finally, extensive experiments demonstrate the state-of-the-art prediction performance and the computational advantage of our approach AdaGCN.
Graph convolutional networks (GCNs) have recently become one of the most powerful tools for graph analytics tasks in numerous applications, ranging from social networks and natural language processing to bioinformatics and chemoinformatics, thanks to their ability to capture the complex relationships between concepts. At present, the vast majority of GCNs use a neighborhood aggregation framework to learn a continuous and compact vector, then performing a pooling operation to generalize graph embedding for the classification task. These approaches have two disadvantages in the graph classification task: (1)when only the largest sub-graph structure ($k$-hop neighbor) is used for neighborhood aggregation, a large amount of early-stage information is lost during the graph convolution step; (2) simple average/sum pooling or max pooling utilized, which loses the characteristics of each node and the topology between nodes. In this paper, we propose a novel framework called, dual attention graph convolutional networks (DAGCN) to address these problems. DAGCN automatically learns the importance of neighbors at different hops using a novel attention graph convolution layer, and then employs a second attention component, a self-attention pooling layer, to generalize the graph representation from the various aspects of a matrix graph embedding. The dual attention network is trained in an end-to-end manner for the graph classification task. We compare our model with state-of-the-art graph kernels and other deep learning methods. The experimental results show that our framework not only outperforms other baselines but also achieves a better rate of convergence.
Spectral clustering is a leading and popular technique in unsupervised data analysis. Two of its major limitations are scalability and generalization of the spectral embedding (i.e., out-of-sample-extension). In this paper we introduce a deep learning approach to spectral clustering that overcomes the above shortcomings. Our network, which we call SpectralNet, learns a map that embeds input data points into the eigenspace of their associated graph Laplacian matrix and subsequently clusters them. We train SpectralNet using a procedure that involves constrained stochastic optimization. Stochastic optimization allows it to scale to large datasets, while the constraints, which are implemented using a special-purpose output layer, allow us to keep the network output orthogonal. Moreover, the map learned by SpectralNet naturally generalizes the spectral embedding to unseen data points. To further improve the quality of the clustering, we replace the standard pairwise Gaussian affinities with affinities leaned from unlabeled data using a Siamese network. Additional improvement can be achieved by applying the network to code representations produced, e.g., by standard autoencoders. Our end-to-end learning procedure is fully unsupervised. In addition, we apply VC dimension theory to derive a lower bound on the size of SpectralNet. State-of-the-art clustering results are reported on the Reuters dataset. Our implementation is publicly available at //github.com/kstant0725/SpectralNet .
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