Graph neural networks (GNNs) excel in learning from network-like data but often lack interpretability, making their application challenging in domains requiring transparent decision-making. We propose the Graph Kolmogorov-Arnold Network (GKAN), a novel GNN model leveraging spline-based activation functions on edges to enhance both accuracy and interpretability. Our experiments on five benchmark datasets demonstrate that GKAN outperforms state-of-the-art GNN models in node classification, link prediction, and graph classification tasks. In addition to the improved accuracy, GKAN's design inherently provides clear insights into the model's decision-making process, eliminating the need for post-hoc explainability techniques. This paper discusses the methodology, performance, and interpretability of GKAN, highlighting its potential for applications in domains where interpretability is crucial.
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Networking：IFIP International Conferences on Networking。
Explanation：國際網絡會議。
Publisher：IFIP。
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Despite the recent progress in deep learning, most approaches still go for a silo-like solution, focusing on learning each task in isolation: training a separate neural network for each individual task. Many real-world problems, however, call for a multi-modal approach and, therefore, for multi-tasking models. Multi-task learning (MTL) aims to leverage useful information across tasks to improve the generalization capability of a model. This thesis is concerned with multi-task learning in the context of computer vision. First, we review existing approaches for MTL. Next, we propose several methods that tackle important aspects of multi-task learning. The proposed methods are evaluated on various benchmarks. The results show several advances in the state-of-the-art of multi-task learning. Finally, we discuss several possibilities for future work.
Standard contrastive learning approaches usually require a large number of negatives for effective unsupervised learning and often exhibit slow convergence. We suspect this behavior is due to the suboptimal selection of negatives used for offering contrast to the positives. We counter this difficulty by taking inspiration from support vector machines (SVMs) to present max-margin contrastive learning (MMCL). Our approach selects negatives as the sparse support vectors obtained via a quadratic optimization problem, and contrastiveness is enforced by maximizing the decision margin. As SVM optimization can be computationally demanding, especially in an end-to-end setting, we present simplifications that alleviate the computational burden. We validate our approach on standard vision benchmark datasets, demonstrating better performance in unsupervised representation learning over state-of-the-art, while having better empirical convergence properties.
We propose GAN-Supervised Learning, a framework for learning discriminative models and their GAN-generated training data jointly end-to-end. We apply our framework to the dense visual alignment problem. Inspired by the classic Congealing method, our GANgealing algorithm trains a Spatial Transformer to map random samples from a GAN trained on unaligned data to a common, jointly-learned target mode. We show results on eight datasets, all of which demonstrate our method successfully aligns complex data and discovers dense correspondences. GANgealing significantly outperforms past self-supervised correspondence algorithms and performs on-par with (and sometimes exceeds) state-of-the-art supervised correspondence algorithms on several datasets -- without making use of any correspondence supervision or data augmentation and despite being trained exclusively on GAN-generated data. For precise correspondence, we improve upon state-of-the-art supervised methods by as much as $3\times$. We show applications of our method for augmented reality, image editing and automated pre-processing of image datasets for downstream GAN training.
Geometric deep learning (GDL), which is based on neural network architectures that incorporate and process symmetry information, has emerged as a recent paradigm in artificial intelligence. GDL bears particular promise in molecular modeling applications, in which various molecular representations with different symmetry properties and levels of abstraction exist. This review provides a structured and harmonized overview of molecular GDL, highlighting its applications in drug discovery, chemical synthesis prediction, and quantum chemistry. Emphasis is placed on the relevance of the learned molecular features and their complementarity to well-established molecular descriptors. This review provides an overview of current challenges and opportunities, and presents a forecast of the future of GDL for molecular sciences.
Recent advances in representation learning have demonstrated an ability to represent information from different modalities such as video, text, and audio in a single high-level embedding vector. In this work we present a self-supervised learning framework that is able to learn a representation that captures finer levels of granularity across different modalities such as concepts or events represented by visual objects or spoken words. Our framework relies on a discretized embedding space created via vector quantization that is shared across different modalities. Beyond the shared embedding space, we propose a Cross-Modal Code Matching objective that forces the representations from different views (modalities) to have a similar distribution over the discrete embedding space such that cross-modal objects/actions localization can be performed without direct supervision. In our experiments we show that the proposed discretized multi-modal fine-grained representation (e.g., pixel/word/frame) can complement high-level summary representations (e.g., video/sentence/waveform) for improved performance on cross-modal retrieval tasks. We also observe that the discretized representation uses individual clusters to represent the same semantic concept across modalities.
Federated Learning (FL) is a decentralized machine-learning paradigm, in which a global server iteratively averages the model parameters of local users without accessing their data. User heterogeneity has imposed significant challenges to FL, which can incur drifted global models that are slow to converge. Knowledge Distillation has recently emerged to tackle this issue, by refining the server model using aggregated knowledge from heterogeneous users, other than directly averaging their model parameters. This approach, however, depends on a proxy dataset, making it impractical unless such a prerequisite is satisfied. Moreover, the ensemble knowledge is not fully utilized to guide local model learning, which may in turn affect the quality of the aggregated model. Inspired by the prior art, we propose a data-free knowledge distillation} approach to address heterogeneous FL, where the server learns a lightweight generator to ensemble user information in a data-free manner, which is then broadcasted to users, regulating local training using the learned knowledge as an inductive bias. Empirical studies powered by theoretical implications show that, our approach facilitates FL with better generalization performance using fewer communication rounds, compared with the state-of-the-art.
Federated learning enables multiple parties to collaboratively train a machine learning model without communicating their local data. A key challenge in federated learning is to handle the heterogeneity of local data distribution across parties. Although many studies have been proposed to address this challenge, we find that they fail to achieve high performance in image datasets with deep learning models. In this paper, we propose MOON: model-contrastive federated learning. MOON is a simple and effective federated learning framework. The key idea of MOON is to utilize the similarity between model representations to correct the local training of individual parties, i.e., conducting contrastive learning in model-level. Our extensive experiments show that MOON significantly outperforms the other state-of-the-art federated learning algorithms on various image classification tasks.
This paper aims to mitigate straggler effects in synchronous distributed learning for multi-agent reinforcement learning (MARL) problems. Stragglers arise frequently in a distributed learning system, due to the existence of various system disturbances such as slow-downs or failures of compute nodes and communication bottlenecks. To resolve this issue, we propose a coded distributed learning framework, which speeds up the training of MARL algorithms in the presence of stragglers, while maintaining the same accuracy as the centralized approach. As an illustration, a coded distributed version of the multi-agent deep deterministic policy gradient(MADDPG) algorithm is developed and evaluated. Different coding schemes, including maximum distance separable (MDS)code, random sparse code, replication-based code, and regular low density parity check (LDPC) code are also investigated. Simulations in several multi-robot problems demonstrate the promising performance of the proposed framework.
The essence of multivariate sequential learning is all about how to extract dependencies in data. These data sets, such as hourly medical records in intensive care units and multi-frequency phonetic time series, often time exhibit not only strong serial dependencies in the individual components (the "marginal" memory) but also non-negligible memories in the cross-sectional dependencies (the "joint" memory). Because of the multivariate complexity in the evolution of the joint distribution that underlies the data generating process, we take a data-driven approach and construct a novel recurrent network architecture, termed Memory-Gated Recurrent Networks (mGRN), with gates explicitly regulating two distinct types of memories: the marginal memory and the joint memory. Through a combination of comprehensive simulation studies and empirical experiments on a range of public datasets, we show that our proposed mGRN architecture consistently outperforms state-of-the-art architectures targeting multivariate time series.
Graph neural networks (GNNs) are a popular class of machine learning models whose major advantage is their ability to incorporate a sparse and discrete dependency structure between data points. Unfortunately, GNNs can only be used when such a graph-structure is available. In practice, however, real-world graphs are often noisy and incomplete or might not be available at all. With this work, we propose to jointly learn the graph structure and the parameters of graph convolutional networks (GCNs) by approximately solving a bilevel program that learns a discrete probability distribution on the edges of the graph. This allows one to apply GCNs not only in scenarios where the given graph is incomplete or corrupted but also in those where a graph is not available. We conduct a series of experiments that analyze the behavior of the proposed method and demonstrate that it outperforms related methods by a significant margin.
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