Message-passing has proved to be an effective way to design graph neural networks, as it is able to leverage both permutation equivariance and an inductive bias towards learning local structures in order to achieve good generalization. However, current message-passing architectures have a limited representation power and fail to learn basic topological properties of graphs. We address this problem and propose a powerful and equivariant message-passing framework based on two ideas: first, we propagate a one-hot encoding of the nodes, in addition to the features, in order to learn a local context matrix around each node. This matrix contains rich local information about both features and topology and can eventually be pooled to build node representations. Second, we propose methods for the parametrization of the message and update functions that ensure permutation equivariance. Having a representation that is independent of the specific choice of the one-hot encoding permits inductive reasoning and leads to better generalization properties. Experimentally, our model can predict various graph topological properties on synthetic data more accurately than previous methods and achieves state-of-the-art results on molecular graph regression on the ZINC dataset.

Reasoning over an instance composed of a set of vectors, like a point cloud, requires that one accounts for intra-set dependent features among elements. However, since such instances are unordered, the elements' features should remain unchanged when the input's order is permuted. This property, permutation equivariance, is a challenging constraint for most neural architectures. While recent work has proposed global pooling and attention-based solutions, these may be limited in the way that intradependencies are captured in practice. In this work we propose a more general formulation to achieve permutation equivariance through ordinary differential equations (ODE). Our proposed module, Exchangeable Neural ODE (ExNODE), can be seamlessly applied for both discriminative and generative tasks. We also extend set modeling in the temporal dimension and propose a VAE based model for temporal set modeling. Extensive experiments demonstrate the efficacy of our method over strong baselines.

In many applications, we desire neural networks to exhibit invariance or equivari-ance to certain groups due to symmetries inherent in the data. Recently, frame-averaging methods emerged to be a unified framework for attaining symmetries efficiently by averaging over input-dependent subsets of the group, i.e., frames. What we currently lack is a principled understanding of the design of frames.

Electroencephalography (EEG) is a non-invasive technique widely used in brain-computer interfaces and clinical applications, yet existing EEG foundation models face limitations in modeling spatio-temporal brain dynamics and lack channel permutation equivariance, preventing robust generalization across diverse electrode configurations. To address these challenges, we propose DIVER-0, a novel EEG foundation model that demonstrates how full spatio-temporal attention-rather than segregated spatial or temporal processing-achieves superior performance when properly designed with Rotary Position Embedding (RoPE) for temporal relationships and binary attention biases for channel differentiation. We also introduce Sliding Temporal Conditional Positional Encoding (STCPE), which improves upon existing conditional positional encoding approaches by maintaining both temporal translation equivariance and channel permutation equivariance, enabling robust adaptation to arbitrary electrode configurations unseen during pretraining. Experimental results demonstrate that DIVER-0 achieves competitive performance with only 10% of pretraining data while maintaining consistent results across all channel permutation conditions, validating its effectiveness for cross-dataset generalization and establishing key design principles for handling the inherent heterogeneity of neural recording setups.

Reasoning over an instance composed of a set of vectors, like a point cloud, requires that one accounts for intra-set dependent features among elements. However, since such instances are unordered, the elements' features should remain unchanged when the input's order is permuted. This property, permutation equivariance, is a challenging constraint for most neural architectures. While recent work has proposed global pooling and attention-based solutions, these may be limited in the way that intradependencies are captured in practice. In this work we propose a more general formulation to achieve permutation equivariance through ordinary differential equations (ODE).

Incorporating mathematical properties of a wireless policy to be learned into the design of deep neural networks (DNNs) is effective for enhancing learning efficiency. Multi-user precoding policy in multi-antenna system, which is the mapping from channel matrix to precoding matrix, possesses a permutation equivariance property, which has been harnessed to design the parameter sharing structure of the weight matrix of DNNs. In this paper, we study a stronger property than permutation equivariance, namely unitary equivariance, for precoder learning. We first show that a DNN with unitary equivariance designed by further introducing parameter sharing into a permutation equivariant DNN is unable to learn the optimal precoder. We proceed to develop a novel non-linear weighting process satisfying unitary equivariance and then construct a joint unitary and permutation equivariant DNN. Simulation results demonstrate that the proposed DNN not only outperforms existing learning methods in learning performance and generalizability but also reduces training complexity.

Graph Neural Networks (GNNs) have seen significant advances in recent years, yet their application to multigraphs, where parallel edges exist between the same pair of nodes, remains under-explored. Standard GNNs, designed for simple graphs, compute node representations by combining all connected edges at once, without distinguishing between edges from different neighbors. There are some GNN architectures proposed specifically for multigraphs, yet these architectures perform only node-level aggregation in their message passing layers, which limits their expressive power. Furthermore, these approaches either lack permutation equivariance when a strict total edge ordering is absent, or fail to preserve the topological structure of the multigraph. To address all these shortcomings, we propose MEGA-GNN, a unified framework for message passing on multigraphs that can effectively perform diverse graph learning tasks. Our approach introduces a two-stage aggregation process in the message passing layers: first, parallel edges are aggregated, followed by a node-level aggregation of messages from distinct neighbors. We show that MEGA-GNN is not only permutation equivariant but also universal given a strict total ordering on the edges. Experiments show that MEGA-GNN significantly outperforms state-of-the-art solutions by up to 13% on Anti-Money Laundering datasets and is on par with their accuracy on real-world phishing classification datasets in terms of minority class F1 score. Graph Neural Networks (GNNs) (Xu et al. (2019); Gilmer et al. (2017); Veličković et al. (2018); Corso et al. (2020); Hamilton et al. (2017)) have become Swiss Army knives for learning on graphstructured data. However, their widespread adoption has primarily focused on simple graphs, where only a single edge can connect a given pair of nodes. This simplification overlooks a crucial aspect of many real-world scenarios, where multigraphs, graphs that feature parallel edges between the same pair of nodes, are common. For instance, financial transaction networks, communication networks and transportation systems are often modeled as multigraphs, allowing multiple different interactions between the same two nodes.

To improve persistence diagram representation learning, we propose Multiset Transformer. This is the first neural network that utilizes attention mechanisms specifically designed for multisets as inputs and offers rigorous theoretical guarantees of permutation invariance. The architecture integrates multiset-enhanced attentions with a pool-decomposition scheme, allowing multiplicities to be preserved across equivariant layers. This capability enables full leverage of multiplicities while significantly reducing both computational and spatial complexity compared to the Set Transformer. Additionally, our method can greatly benefit from clustering as a preprocessing step to further minimize complexity, an advantage not possessed by the Set Transformer. Experimental results demonstrate that the Multiset Transformer outperforms existing neural network methods in the realm of persistence diagram representation learning.

Message-passing has proved to be an effective way to design graph neural networks, as it is able to leverage both permutation equivariance and an inductive bias towards learning local structures in order to achieve good generalization. However, current message-passing architectures have a limited representation power and fail to learn basic topological properties of graphs. We address this problem and propose a powerful and equivariant message-passing framework based on two ideas: first, we propagate a one-hot encoding of the nodes, in addition to the features, in order to learn a local context matrix around each node. This matrix contains rich local information about both features and topology and can eventually be pooled to build node representations. Second, we propose methods for the parametrization of the message and update functions that ensure permutation equivariance.