One primary topic of multimodal learning is to jointly incorporate heterogeneous information from different modalities. However most models often suffer from unsatisfactory multimodal cooperation which cannot jointly utilize all modalities well. Some methods are proposed to identify and enhance the worse learnt modality but they are often hard to provide the fine-grained observation of multimodal cooperation at sample-level with theoretical support. Hence it is essential to reasonably observe and improve the fine-grained cooperation between modalities especially when facing realistic scenarios where the modality discrepancy could vary across different samples. To this end we introduce a sample-level modality valuation metric to evaluate the contribution of each modality for each sample. Via modality valuation we observe that modality discrepancy indeed could be different at sample-level beyond the global contribution discrepancy at dataset-level. We further analyze this issue and improve cooperation between modalities at sample-level by enhancing the discriminative ability of low-contributing modalities in a targeted manner. Overall our methods reasonably observe the fine-grained uni-modal contribution and achieve considerable improvement. The source code and dataset are available at https://github.com/GeWu-Lab/Valuate-and-Enhance-Multimodal-Cooperation.
Geometric graphs are a special kind of graph with geometric features, which are vital to model many scientific problems. Unlike generic graphs, geometric graphs often exhibit physical symmetries of translations, rotations, and reflections, making them ineffectively processed by current Graph Neural Networks (GNNs). To address this issue, researchers proposed a variety of geometric GNNs equipped with invariant/equivariant properties to better characterize the geometry and topology of geometric graphs. Given the current progress in this field, it is imperative to conduct a comprehensive survey of data structures, models, and applications related to geometric GNNs. In this paper, based on the necessary but concise mathematical preliminaries, we formalize geometric graph as the data structure, on top of which we provide a unified view of existing models from the geometric message passing perspective. Additionally, we summarize the applications as well as the related datasets to facilitate later research for methodology development and experimental evaluation. We also discuss the challenges and future potential directions of geometric GNNs at the end of this survey.
Equivariant Graph Neural Networks (GNNs) that incorporate E(3) symmetry have achieved significant success in various scientific applications. As one of the most successful models, EGNN leverages a simple scalarization technique to perform equivariant message passing over only Cartesian vectors (i.e., 1st-degree steerable vectors), enjoying greater efficiency and efficacy compared to equivariant GNNs using higher-degree steerable vectors. This success suggests that higher-degree representations might be unnecessary. In this paper, we disprove this hypothesis by exploring the expressivity of equivariant GNNs on symmetric structures, including $k$-fold rotations and regular polyhedra. We theoretically demonstrate that equivariant GNNs will always degenerate to a zero function if the degree of the output representations is fixed to 1 or other specific values. Based on this theoretical insight, we propose HEGNN, a high-degree version of EGNN to increase the expressivity by incorporating high-degree steerable vectors while maintaining EGNN's efficiency through the scalarization trick. Our extensive experiments demonstrate that HEGNN not only aligns with our theoretical analyses on toy datasets consisting of symmetric structures, but also shows substantial improvements on more complicated datasets such as $N$-body and MD17. Our theoretical findings and empirical results potentially open up new possibilities for the research of equivariant GNNs.
Equivariant Graph Neural Networks (GNNs) have demonstrated significant success across various applications. To achieve completeness -- that is, the universal approximation property over the space of equivariant functions -- the network must effectively capture the intricate multi-body interactions among different nodes. Prior methods attain this via deeper architectures, augmented body orders, or increased degrees of steerable features, often at high computational cost and without polynomial-time solutions. In this work, we present a theoretically grounded framework for constructing complete equivariant GNNs that is both efficient and practical. We prove that a complete equivariant GNN can be achieved through two key components: 1) a complete scalar function, referred to as the canonical form of the geometric graph; and 2) a full-rank steerable basis set. Leveraging this finding, we propose an efficient algorithm for constructing complete equivariant GNNs based on two common models: EGNN and TFN. Empirical results demonstrate that our model demonstrates superior completeness and excellent performance with only a few layers, thereby significantly reducing computational overhead while maintaining strong practical efficacy.
Due to the pseudo-anonymity of the Bitcoin network, users can hide behind their bitcoin addresses that can be generated in unlimited quantity, on the fly, without any formal links between them. Thus, it is being used for payment transfer by the actors involved in ransomware and other illegal activities. The other activity we consider is related to gambling since gambling is often used for transferring illegal funds. The question addressed here is that given temporally limited graphs of Bitcoin transactions, to what extent can one identify common patterns associated with these fraudulent activities and apply them to find other ransomware actors. The problem is rather complex, given that thousands of addresses can belong to the same actor without any obvious links between them and any common pattern of behavior. The main contribution of this paper is to introduce and apply new algorithms for local clustering and supervised graph machine learning for identifying malicious actors. We show that very local subgraphs of the known such actors are sufficient to differentiate between ransomware, random and gambling actors with 85% prediction accuracy on the test data set.
Distributed quantum information processing is essential for building quantum networks and enabling more extensive quantum computations. In this regime, several spatially separated parties share a multipartite quantum system, and the most natural set of operations is Local Operations and Classical Communication (LOCC). As a pivotal part in quantum information theory and practice, LOCC has led to many vital protocols such as quantum teleportation. However, designing practical LOCC protocols is challenging due to LOCC's intractable structure and limitations set by near-term quantum devices. Here we introduce LOCCNet, a machine learning framework facilitating protocol design and optimization for distributed quantum information processing tasks. As applications, we explore various quantum information tasks such as entanglement distillation, quantum state discrimination, and quantum channel simulation. We discover protocols with evident improvements, in particular, for entanglement distillation with quantum states of interest in quantum information. Our approach opens up new opportunities for exploring entanglement and its applications with machine learning, which will potentially sharpen our understanding of the power and limitations of LOCC. An implementation of LOCCNet is available in Paddle Quantum, a quantum machine learning Python package based on PaddlePaddle deep learning platform.