We study the edge-coloring problem in simple $n$-vertex $m$-edge graphs with maximum degree $\Delta$. This is one of the most classical and fundamental graph-algorithmic problems. Vizing's celebrated theorem provides $(\Delta+1)$-edge-coloring in $O(m\cdot n)$ deterministic time. This running time was improved to $O\left(m\cdot\min\left\{\Delta\cdot\log n,\sqrt{n}\right\}\right)$, and very recently to randomized $\tilde{O}\left(m\cdot n^{1/3}\right)$. A randomized $(1+\varepsilon)\Delta$-edge-coloring algorithm can be computed in $O\left(m\cdot\frac{\log^6 n}{\varepsilon^2}\right)$ time, and for large values of $\Delta$, this task requires randomized $O\left(\frac{m\cdot\log\varepsilon^{-1}}{\varepsilon^2}\right)$ time. It was however open if there exists a deterministic near-linear time algorithm for this basic problem. We devise a simple deterministic $(1+\varepsilon)\Delta$-edge-coloring algorithm with running time $O\left(m\cdot\frac{\log n}{\varepsilon}\right)$. A randomized variant of our algorithm has running time $O(m\cdot(\varepsilon^{-18}+\log(\varepsilon\cdot\Delta)))$. We also study edge-coloring of graphs with arboricity at most $\alpha$. A randomized computation of $(\Delta+1)$-edge-coloring requires $\tilde{O}\left(\min\{m\cdot\sqrt{n},m\cdot\Delta\}\cdot\frac{\alpha}{\Delta}\right)$ time. Deterministically, this task can be done in $O\left(m\cdot\alpha^7\cdot\log n\right)$ time. However, for large values of $\alpha$, these algorithms require super-linear time. We devise a deterministic $(\Delta+\varepsilon\alpha)$-edge-coloring algorithm with running time $O\left(\frac{m\cdot\log n}{\varepsilon^7}\right)$. A randomized version of our algorithm requires $O\left(\frac{m\cdot\log n}{\varepsilon}\right)$ expected time. Our algorithm is based on a novel two-way degree-splitting, which we devise in this paper. We believe that this technique is of independent interest.
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Advances in artificial intelligence (AI) are fueling a new paradigm of discoveries in natural sciences. Today, AI has started to advance natural sciences by improving, accelerating, and enabling our understanding of natural phenomena at a wide range of spatial and temporal scales, giving rise to a new area of research known as AI for science (AI4Science). Being an emerging research paradigm, AI4Science is unique in that it is an enormous and highly interdisciplinary area. Thus, a unified and technical treatment of this field is needed yet challenging. This work aims to provide a technically thorough account of a subarea of AI4Science; namely, AI for quantum, atomistic, and continuum systems. These areas aim at understanding the physical world from the subatomic (wavefunctions and electron density), atomic (molecules, proteins, materials, and interactions), to macro (fluids, climate, and subsurface) scales and form an important subarea of AI4Science. A unique advantage of focusing on these areas is that they largely share a common set of challenges, thereby allowing a unified and foundational treatment. A key common challenge is how to capture physics first principles, especially symmetries, in natural systems by deep learning methods. We provide an in-depth yet intuitive account of techniques to achieve equivariance to symmetry transformations. We also discuss other common technical challenges, including explainability, out-of-distribution generalization, knowledge transfer with foundation and large language models, and uncertainty quantification. To facilitate learning and education, we provide categorized lists of resources that we found to be useful. We strive to be thorough and unified and hope this initial effort may trigger more community interests and efforts to further advance AI4Science.
Graph Neural Networks (GNNs) are state-of-the-art models for performing prediction tasks on graphs. While existing GNNs have shown great performance on various tasks related to graphs, little attention has been paid to the scenario where out-of-distribution (OOD) nodes exist in the graph during training and inference. Borrowing the concept from CV and NLP, we define OOD nodes as nodes with labels unseen from the training set. Since a lot of networks are automatically constructed by programs, real-world graphs are often noisy and may contain nodes from unknown distributions. In this work, we define the problem of graph learning with out-of-distribution nodes. Specifically, we aim to accomplish two tasks: 1) detect nodes which do not belong to the known distribution and 2) classify the remaining nodes to be one of the known classes. We demonstrate that the connection patterns in graphs are informative for outlier detection, and propose Out-of-Distribution Graph Attention Network (OODGAT), a novel GNN model which explicitly models the interaction between different kinds of nodes and separate inliers from outliers during feature propagation. Extensive experiments show that OODGAT outperforms existing outlier detection methods by a large margin, while being better or comparable in terms of in-distribution classification.
Click-through rate (CTR) prediction plays a critical role in recommender systems and online advertising. The data used in these applications are multi-field categorical data, where each feature belongs to one field. Field information is proved to be important and there are several works considering fields in their models. In this paper, we proposed a novel approach to model the field information effectively and efficiently. The proposed approach is a direct improvement of FwFM, and is named as Field-matrixed Factorization Machines (FmFM, or $FM^2$). We also proposed a new explanation of FM and FwFM within the FmFM framework, and compared it with the FFM. Besides pruning the cross terms, our model supports field-specific variable dimensions of embedding vectors, which acts as soft pruning. We also proposed an efficient way to minimize the dimension while keeping the model performance. The FmFM model can also be optimized further by caching the intermediate vectors, and it only takes thousands of floating-point operations (FLOPs) to make a prediction. Our experiment results show that it can out-perform the FFM, which is more complex. The FmFM model's performance is also comparable to DNN models which require much more FLOPs in runtime.
To retrieve more relevant, appropriate and useful documents given a query, finding clues about that query through the text is crucial. Recent deep learning models regard the task as a term-level matching problem, which seeks exact or similar query patterns in the document. However, we argue that they are inherently based on local interactions and do not generalise to ubiquitous, non-consecutive contextual relationships.In this work, we propose a novel relevance matching model based on graph neural networks to leverage the document-level word relationships for ad-hoc retrieval. In addition to the local interactions, we explicitly incorporate all contexts of a term through the graph-of-word text format. Matching patterns can be revealed accordingly to provide a more accurate relevance score. Our approach significantly outperforms strong baselines on two ad-hoc benchmarks. We also experimentally compare our model with BERT and show our ad-vantages on long documents.
Video captioning is a challenging task that requires a deep understanding of visual scenes. State-of-the-art methods generate captions using either scene-level or object-level information but without explicitly modeling object interactions. Thus, they often fail to make visually grounded predictions, and are sensitive to spurious correlations. In this paper, we propose a novel spatio-temporal graph model for video captioning that exploits object interactions in space and time. Our model builds interpretable links and is able to provide explicit visual grounding. To avoid unstable performance caused by the variable number of objects, we further propose an object-aware knowledge distillation mechanism, in which local object information is used to regularize global scene features. We demonstrate the efficacy of our approach through extensive experiments on two benchmarks, showing our approach yields competitive performance with interpretable predictions.
In Multi-Label Text Classification (MLTC), one sample can belong to more than one class. It is observed that most MLTC tasks, there are dependencies or correlations among labels. Existing methods tend to ignore the relationship among labels. In this paper, a graph attention network-based model is proposed to capture the attentive dependency structure among the labels. The graph attention network uses a feature matrix and a correlation matrix to capture and explore the crucial dependencies between the labels and generate classifiers for the task. The generated classifiers are applied to sentence feature vectors obtained from the text feature extraction network (BiLSTM) to enable end-to-end training. Attention allows the system to assign different weights to neighbor nodes per label, thus allowing it to learn the dependencies among labels implicitly. The results of the proposed model are validated on five real-world MLTC datasets. The proposed model achieves similar or better performance compared to the previous state-of-the-art models.
Clustering is one of the most fundamental and wide-spread techniques in exploratory data analysis. Yet, the basic approach to clustering has not really changed: a practitioner hand-picks a task-specific clustering loss to optimize and fit the given data to reveal the underlying cluster structure. Some types of losses---such as k-means, or its non-linear version: kernelized k-means (centroid based), and DBSCAN (density based)---are popular choices due to their good empirical performance on a range of applications. Although every so often the clustering output using these standard losses fails to reveal the underlying structure, and the practitioner has to custom-design their own variation. In this work we take an intrinsically different approach to clustering: rather than fitting a dataset to a specific clustering loss, we train a recurrent model that learns how to cluster. The model uses as training pairs examples of datasets (as input) and its corresponding cluster identities (as output). By providing multiple types of training datasets as inputs, our model has the ability to generalize well on unseen datasets (new clustering tasks). Our experiments reveal that by training on simple synthetically generated datasets or on existing real datasets, we can achieve better clustering performance on unseen real-world datasets when compared with standard benchmark clustering techniques. Our meta clustering model works well even for small datasets where the usual deep learning models tend to perform worse.
Most existing event extraction (EE) methods merely extract event arguments within the sentence scope. However, such sentence-level EE methods struggle to handle soaring amounts of documents from emerging applications, such as finance, legislation, health, etc., where event arguments always scatter across different sentences, and even multiple such event mentions frequently co-exist in the same document. To address these challenges, we propose a novel end-to-end model, Doc2EDAG, which can generate an entity-based directed acyclic graph to fulfill the document-level EE (DEE) effectively. Moreover, we reformalize a DEE task with the no-trigger-words design to ease the document-level event labeling. To demonstrate the effectiveness of Doc2EDAG, we build a large-scale real-world dataset consisting of Chinese financial announcements with the challenges mentioned above. Extensive experiments with comprehensive analyses illustrate the superiority of Doc2EDAG over state-of-the-art methods. Data and codes can be found at //github.com/dolphin-zs/Doc2EDAG.
Many tasks in natural language processing can be viewed as multi-label classification problems. However, most of the existing models are trained with the standard cross-entropy loss function and use a fixed prediction policy (e.g., a threshold of 0.5) for all the labels, which completely ignores the complexity and dependencies among different labels. In this paper, we propose a meta-learning method to capture these complex label dependencies. More specifically, our method utilizes a meta-learner to jointly learn the training policies and prediction policies for different labels. The training policies are then used to train the classifier with the cross-entropy loss function, and the prediction policies are further implemented for prediction. Experimental results on fine-grained entity typing and text classification demonstrate that our proposed method can obtain more accurate multi-label classification results.
Most existing works in visual question answering (VQA) are dedicated to improving the accuracy of predicted answers, while disregarding the explanations. We argue that the explanation for an answer is of the same or even more importance compared with the answer itself, since it makes the question and answering process more understandable and traceable. To this end, we propose a new task of VQA-E (VQA with Explanation), where the computational models are required to generate an explanation with the predicted answer. We first construct a new dataset, and then frame the VQA-E problem in a multi-task learning architecture. Our VQA-E dataset is automatically derived from the VQA v2 dataset by intelligently exploiting the available captions. We have conducted a user study to validate the quality of explanations synthesized by our method. We quantitatively show that the additional supervision from explanations can not only produce insightful textual sentences to justify the answers, but also improve the performance of answer prediction. Our model outperforms the state-of-the-art methods by a clear margin on the VQA v2 dataset.
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