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 universality


On Universality Classes of Equivariant Networks

Neural Information Processing Systems

Equivariant neural networks provide a principled framework for incorporating symmetry into learning architectures and have been extensively analyzed through the lens of their separation power, that is, the ability to distinguish inputs modulo symmetry. This notion plays a central role in settings such as graph learning, where it is often formalized via the Weisfeiler-Leman hierarchy. In contrast, the universality of equivariant models--their capacity to approximate target functions--remains comparatively underexplored. In this work, we investigate the approximation power of equivariant neural networks beyond separation constraints. We show that separation power does not fully capture expressivity: models with identical separation power may differ in their approximation ability. To demonstrate this, we characterize the universality classes of shallow invariant networks, providing a general framework for understanding which functions these architectures can approximate. Since equivariant models reduce to invariant ones under projection, this analysis yields sufficient conditions under which shallow equivariant networks fail to be universal. Conversely, we identify settings where shallow models do achieve separation-constrained universality. These positive results, however, depend critically on structural properties of the symmetry group, such as the existence of adequate normal subgroups, which may not hold in important cases like permutation symmetry.


Gradient-Variation Online Adaptivity for Accelerated Optimization with Hölder Smoothness

Neural Information Processing Systems

Smoothness is known to be crucial for acceleration in offline optimization, and for gradient-variation regret minimization in online learning. Interestingly, these two problems are actually closely connected -- accelerated optimization can be understood through the lens of gradient-variation online learning. In this paper, we investigate online learning with Hölder smooth functions, a general class encompassing both smooth and non-smooth (Lipschitz) functions, and explore its implications for offline optimization.


Dropout Universality: Scaling Laws and Optimal Scheduling at the Edge-of-Chaos

arXiv.org Machine Learning

We develop a mean-field theory of dropout as a perturbation of critical signal propagation at the edge of chaos. Dropout shifts the perfect-alignment fixed point, making the depth scale for information propagation finite even at critical initialization. We derive critical and crossover scaling laws for correlation decay and establish that smooth activations and kinked, ReLU-like activations constitute distinct universality classes, with different critical exponents and a universal two-parameter scaling collapse in detuning and dropout strength. The distinction traces to the analytic structure of the correlation map: smooth activations admit a Taylor expansion near perfect alignment, while kinked activations develop a branch point with universal non-analyticity. As a corollary, the framework yields saturated dropout profiles under fixed budget; a rank-flow tie-breaker then selects front-loaded schedules, substantially reducing held-out test loss at no extra computational cost, with accuracy gains as a consistent secondary effect. We test the predictions in MLPs and Vision Transformers and discuss CNN/ResNet extensions.


Embedding Dimension Lower Bounds for Universality of Deep Sets and Janossy Pooling

arXiv.org Machine Learning

In many practical applications it is important to build symmetries into neural network architectures. Consider the important case of permutation symmetry on point clouds consisting of $n$ points in $d$ dimensions. In this case the network learns a function on a set of $n$ points in $\mathbb{R}^d$, and a natural paradigm for constructing invariant networks is Janossy pooling, which generalizes the popular Deep Sets architecture. We study the universality of this approach, in particular the important question of how large the embedding dimension must be to guarantee universality of this architecture. Specifically, using a novel technique, we prove new lower bounds on the required size of this embedding dimension. For Deep Sets, this gives the correct minimal dimension up to a constant factor for all $d > 1$. For $k$-ary Janossy pooling, we prove the first non-trivial lower bound on the required embedding dimension when $k > 1$.




On the Universality of Graph Neural Networks on Large Random Graphs

Neural Information Processing Systems

We study the approximation power of Graph Neural Networks (GNNs) on latent position random graphs. In the large graph limit, GNNs are known to converge to certain "continuous" models known as c-GNNs, which directly enables a study of their approximation power on random graph models. In the absence of input node features however, just as GNNs are limited by the Weisfeiler-Lehman isomorphism test, c-GNNs will be severely limited on simple random graph models. For instance, they will fail to distinguish the communities of a well-separated Stochastic Block Model (SBM) with constant degree function. Thus, we consider recently proposed architectures that augment GNNs with unique node identifiers, referred to as Structural GNNs here (SGNNs). We study the convergence of SGNNs to their continuous counterpart (c-SGNNs) in the large random graph limit, under new conditions on the node identifiers. We then show that c-SGNNs are strictly more powerful than c-GNNs in the continuous limit, and prove their universality on several random graph models of interest, including most SBMs and a large class of random geometric graphs. Our results cover both permutation-invariant and permutation-equivariant architectures.



GemNet: Universal Directional Graph Neural Networks for Molecules

Neural Information Processing Systems

Effectively predicting molecular interactions has the potential to accelerate molecular dynamics by multiple orders of magnitude and thus revolutionize chemical simulations. Graph neural networks (GNNs) have recently shown great successes for this task, overtaking classical methods based on fixed molecular kernels. However, they still appear very limited from a theoretical perspective, since regular GNNs cannot distinguish certain types of graphs. In this work we close this gap between theory and practice. We show that GNNs with directed edge embeddings and two-hop message passing are indeed universal approximators for predictions that are invariant to translation, and equivariant to permutation and rotation. We then leverage these insights and multiple structural improvements to propose the geometric message passing neural network (GemNet). We demonstrate the benefits of the proposed changes in multiple ablation studies. GemNet outperforms previous models on the COLL, MD17, and OC20 datasets by 34 %, 41 %, and 20 %, respectively, and performs especially well on the most challenging molecules. Our implementation is available online. 1


Characterization of Gaussian Universality Breakdown in High-Dimensional Empirical Risk Minimization

arXiv.org Machine Learning

We study high-dimensional convex empirical risk minimization (ERM) under general non-Gaussian data designs. By heuristically extending the Convex Gaussian Min-Max Theorem (CGMT) to non-Gaussian settings, we derive an asymptotic min-max characterization of key statistics, enabling approximation of the mean $μ_{\hatθ}$ and covariance $C_{\hatθ}$ of the ERM estimator $\hatθ$. Specifically, under a concentration assumption on the data matrix and standard regularity conditions on the loss and regularizer, we show that for a test covariate $x$ independent of the training data, the projection $\hatθ^\top x$ approximately follows the convolution of the (generally non-Gaussian) distribution of $μ_{\hatθ}^\top x$ with an independent centered Gaussian variable of variance $\text{Tr}(C_{\hatθ}\mathbb{E}[xx^\top])$. This result clarifies the scope and limits of Gaussian universality for ERMs. Additionally, we prove that any $\mathcal{C}^2$ regularizer is asymptotically equivalent to a quadratic form determined solely by its Hessian at zero and gradient at $μ_{\hatθ}$. Numerical simulations across diverse losses and models are provided to validate our theoretical predictions and qualitative insights.