Designing expressive Graph Neural Networks (GNNs) is a central topic in learning graph-structured data. While numerous approaches have been proposed to improve GNNs in terms of the Weisfeiler-Lehman (WL) test, generally there is still a lack of deep understanding of what additional power they can systematically and provably gain. In this paper, we take a fundamentally different perspective to study the expressive power of GNNs beyond the WL test. Specifically, we introduce a novel class of expressivity metrics via graph biconnectivity and highlight their importance in both theory and practice. As biconnectivity can be easily calculated using simple algorithms that have linear computational costs, it is natural to expect that popular GNNs can learn it easily as well. However, after a thorough review of prior GNN architectures, we surprisingly find that most of them are not expressive for any of these metrics. The only exception is the ESAN framework, for which we give a theoretical justification of its power. We proceed to introduce a principled and more efficient approach, called the Generalized Distance Weisfeiler-Lehman (GD-WL), which is provably expressive for all biconnectivity metrics. Practically, we show GD-WL can be implemented by a Transformer-like architecture that preserves expressiveness and enjoys full parallelizability. A set of experiments on both synthetic and real datasets demonstrates that our approach can consistently outperform prior GNN architectures.
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The Random Language Model (De Giuli 2019) is an ensemble of stochastic context-free grammars, quantifying the syntax of human and computer languages. The model suggests a simple picture of first language learning as a type of annealing in the vast space of potential languages. In its simplest formulation, it implies a single continuous transition to grammatical syntax, at which the symmetry among potential words and categories is spontaneously broken. Here this picture is scrutinized by considering its robustness against extensions of the original model, and trajectories through parameter space different from those originally considered. It is shown here that (i) the scenario is robust to explicit symmetry breaking, an inevitable component of learning in the real world; and (ii) the transition to grammatical syntax can be encountered by fixing the deep (hidden) structure while varying the surface (observable) properties. It is also argued that the transition becomes a sharp thermodynamic transition in an idealized limit. Moreover, comparison with human data on the clustering coefficient of syntax networks suggests that the observed transition is equivalent to that normally experienced by children at age 24 months. The results are discussed in light of theory of first-language acquisition in linguistics, and recent successes in machine learning.
Federated learning (FL) is an approach to training machine learning models that takes advantage of multiple distributed datasets while maintaining data privacy and reducing communication costs associated with sharing local datasets. Aggregation strategies have been developed to pool or fuse the weights and biases of distributed deterministic models; however, modern deterministic deep learning (DL) models are often poorly calibrated and lack the ability to communicate a measure of epistemic uncertainty in prediction, which is desirable for remote sensing platforms and safety-critical applications. Conversely, Bayesian DL models are often well calibrated and capable of quantifying and communicating a measure of epistemic uncertainty along with a competitive prediction accuracy. Unfortunately, because the weights and biases in Bayesian DL models are defined by a probability distribution, simple application of the aggregation methods associated with FL schemes for deterministic models is either impossible or results in sub-optimal performance. In this work, we use independent and identically distributed (IID) and non-IID partitions of the CIFAR-10 dataset and a fully variational ResNet-20 architecture to analyze six different aggregation strategies for Bayesian DL models. Additionally, we analyze the traditional federated averaging approach applied to an approximate Bayesian Monte Carlo dropout model as a lightweight alternative to more complex variational inference methods in FL. We show that aggregation strategy is a key hyperparameter in the design of a Bayesian FL system with downstream effects on accuracy, calibration, uncertainty quantification, training stability, and client compute requirements.
The brain continually reorganizes its functional network to adapt to post-stroke functional impairments. Previous studies using static modularity analysis have presented global-level behavior patterns of this network reorganization. However, it is far from understood how the brain reconfigures its functional network dynamically following a stroke. This study collected resting-state functional MRI data from 15 stroke patients, with mild (n = 6) and severe (n = 9) two subgroups based on their clinical symptoms. Additionally, 15 age-matched healthy subjects were considered as controls. By applying a multilayer network method, a dynamic modular structure was recognized based on a time-resolved function network. Then dynamic network measurements (recruitment, integration, and flexibility) were calculated to characterize the dynamic reconfiguration of post-stroke brain functional networks, hence, to reveal the neural functional rebuilding process. It was found from this investigation that severe patients tended to have reduced recruitment and increased between-network integration, while mild patients exhibited low network flexibility and less network integration. It is also noted that this severity-dependent alteration in network interaction was not able to be revealed by previous studies using static methods. Clinically, the obtained knowledge of the diverse patterns of dynamic adjustment in brain functional networks observed from the brain signal could help understand the underlying mechanism of the motor, speech, and cognitive functional impairments caused by stroke attacks. The proposed method not only could be used to evaluate patients' current brain status but also has the potential to provide insights into prognosis analysis and prediction.
The integration of deep learning techniques with biophotonic setups has opened new horizons in bioimaging. A compelling trend in this field involves deliberately compromising certain measurement metrics to engineer better bioimaging tools in terms of cost, speed, and form-factor, followed by compensating for the resulting defects through the utilization of deep learning models trained on a large amount of ideal, superior or alternative data. This strategic approach has found increasing popularity due to its potential to enhance various aspects of biophotonic imaging. One of the primary motivations for employing this strategy is the pursuit of higher temporal resolution or increased imaging speed, critical for capturing fine dynamic biological processes. This approach also offers the prospect of simplifying hardware requirements/complexities, thereby making advanced imaging standards more accessible in terms of cost and/or size. This article provides an in-depth review of the diverse measurement aspects that researchers intentionally impair in their biophotonic setups, including the point spread function, signal-to-noise ratio, sampling density, and pixel resolution. By deliberately compromising these metrics, researchers aim to not only recuperate them through the application of deep learning networks, but also bolster in return other crucial parameters, such as the field-of-view, depth-of-field, and space-bandwidth product. Here, we discuss various biophotonic methods that have successfully employed this strategic approach. These techniques span broad applications and showcase the versatility and effectiveness of deep learning in the context of compromised biophotonic data. Finally, by offering our perspectives on the future possibilities of this rapidly evolving concept, we hope to motivate our readers to explore novel ways of balancing hardware compromises with compensation via AI.
Large language models (LLMs) have shown tremendous success in following user instructions and generating helpful responses. Nevertheless, their robustness is still far from optimal, as they may generate significantly inconsistent responses due to minor changes in the verbalized instructions. Recent literature has explored this inconsistency issue, highlighting the importance of continued improvement in the robustness of response generation. However, systematic analysis and solutions are still lacking. In this paper, we quantitatively define the inconsistency problem and propose a two-stage training framework consisting of instruction-augmented supervised fine-tuning and consistency alignment training. The first stage helps a model generalize on following instructions via similar instruction augmentations. In the second stage, we improve the diversity and help the model understand which responses are more aligned with human expectations by differentiating subtle differences in similar responses. The training process is accomplished by self-rewards inferred from the trained model at the first stage without referring to external human preference resources. We conduct extensive experiments on recent publicly available LLMs on instruction-following tasks and demonstrate the effectiveness of our training framework.
Graph Neural Networks (GNNs) have emerged as effective tools for learning tasks on graph-structured data. Recently, Graph-Informed (GI) layers were introduced to address regression tasks on graph nodes, extending their applicability beyond classic GNNs. However, existing implementations of GI layers lack efficiency due to dense memory allocation. This paper presents a sparse implementation of GI layers, leveraging the sparsity of adjacency matrices to reduce memory usage significantly. Additionally, a versatile general form of GI layers is introduced, enabling their application to subsets of graph nodes. The proposed sparse implementation improves the concrete computational efficiency and scalability of the GI layers, permitting to build deeper Graph-Informed Neural Networks (GINNs) and facilitating their scalability to larger graphs.
Pre-trained Language Models (PLMs) which are trained on large text corpus via self-supervised learning method, have yielded promising performance on various tasks in Natural Language Processing (NLP). However, though PLMs with huge parameters can effectively possess rich knowledge learned from massive training text and benefit downstream tasks at the fine-tuning stage, they still have some limitations such as poor reasoning ability due to the lack of external knowledge. Research has been dedicated to incorporating knowledge into PLMs to tackle these issues. In this paper, we present a comprehensive review of Knowledge-Enhanced Pre-trained Language Models (KE-PLMs) to provide a clear insight into this thriving field. We introduce appropriate taxonomies respectively for Natural Language Understanding (NLU) and Natural Language Generation (NLG) to highlight these two main tasks of NLP. For NLU, we divide the types of knowledge into four categories: linguistic knowledge, text knowledge, knowledge graph (KG), and rule knowledge. The KE-PLMs for NLG are categorized into KG-based and retrieval-based methods. Finally, we point out some promising future directions of KE-PLMs.
Recently, contrastive learning (CL) has emerged as a successful method for unsupervised graph representation learning. Most graph CL methods first perform stochastic augmentation on the input graph to obtain two graph views and maximize the agreement of representations in the two views. Despite the prosperous development of graph CL methods, the design of graph augmentation schemes -- a crucial component in CL -- remains rarely explored. We argue that the data augmentation schemes should preserve intrinsic structures and attributes of graphs, which will force the model to learn representations that are insensitive to perturbation on unimportant nodes and edges. However, most existing methods adopt uniform data augmentation schemes, like uniformly dropping edges and uniformly shuffling features, leading to suboptimal performance. In this paper, we propose a novel graph contrastive representation learning method with adaptive augmentation that incorporates various priors for topological and semantic aspects of the graph. Specifically, on the topology level, we design augmentation schemes based on node centrality measures to highlight important connective structures. On the node attribute level, we corrupt node features by adding more noise to unimportant node features, to enforce the model to recognize underlying semantic information. We perform extensive experiments of node classification on a variety of real-world datasets. Experimental results demonstrate that our proposed method consistently outperforms existing state-of-the-art baselines and even surpasses some supervised counterparts, which validates the effectiveness of the proposed contrastive framework with adaptive augmentation.
Lots of learning tasks require dealing with graph data which contains rich relation information among elements. Modeling physics system, learning molecular fingerprints, predicting protein interface, and classifying diseases require that a model to learn from graph inputs. In other domains such as learning from non-structural data like texts and images, reasoning on extracted structures, like the dependency tree of sentences and the scene graph of images, is an important research topic which also needs graph reasoning models. Graph neural networks (GNNs) are connectionist models that capture the dependence of graphs via message passing between the nodes of graphs. Unlike standard neural networks, graph neural networks retain a state that can represent information from its neighborhood with an arbitrary depth. Although the primitive graph neural networks have been found difficult to train for a fixed point, recent advances in network architectures, optimization techniques, and parallel computation have enabled successful learning with them. In recent years, systems based on graph convolutional network (GCN) and gated graph neural network (GGNN) have demonstrated ground-breaking performance on many tasks mentioned above. In this survey, we provide a detailed review over existing graph neural network models, systematically categorize the applications, and propose four open problems for future research.
Neural machine translation (NMT) is a deep learning based approach for machine translation, which yields the state-of-the-art translation performance in scenarios where large-scale parallel corpora are available. Although the high-quality and domain-specific translation is crucial in the real world, domain-specific corpora are usually scarce or nonexistent, and thus vanilla NMT performs poorly in such scenarios. Domain adaptation that leverages both out-of-domain parallel corpora as well as monolingual corpora for in-domain translation, is very important for domain-specific translation. In this paper, we give a comprehensive survey of the state-of-the-art domain adaptation techniques for NMT.
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