Daily Papers

Normalization layers are crucial for deep learning, but their Euclidean formulations are inadequate for data on manifolds. On the other hand, many Riemannian manifolds in machine learning admit gyro-structures, enabling principled extensions of Euclidean neural networks to non-Euclidean domains. Inspired by this, we introduce GyroBN, a principled Riemannian batch normalization framework for gyrogroups. We establish two necessary conditions, namely pseudo-reduction and gyroisometric gyrations, that guarantee GyroBN with theoretical control over sample statistics, and show that these conditions hold for all known gyrogroups in machine learning. Our framework also incorporates several existing Riemannian normalization methods as special cases. We further instantiate GyroBN on seven representative geometries, including the Grassmannian, five constant curvature spaces, and the correlation manifold, and derive novel gyro and Riemannian structures to enable these instantiations. Experiments across these geometries demonstrate the effectiveness of GyroBN. The code is available at https://github.com/GitZH-Chen/GyroBN.git.

Manifold-valued measurements exist in numerous applications within computer vision and machine learning. Recent studies have extended Deep Neural Networks (DNNs) to manifolds, and concomitantly, normalization techniques have also been adapted to several manifolds, referred to as Riemannian normalization. Nonetheless, most of the existing Riemannian normalization methods have been derived in an ad hoc manner and only apply to specific manifolds. This paper establishes a unified framework for Riemannian Batch Normalization (RBN) techniques on Lie groups. Our framework offers the theoretical guarantee of controlling both the Riemannian mean and variance. Empirically, we focus on Symmetric Positive Definite (SPD) manifolds, which possess three distinct types of Lie group structures. Using the deformation concept, we generalize the existing Lie groups on SPD manifolds into three families of parameterized Lie groups. Specific normalization layers induced by these Lie groups are then proposed for SPD neural networks. We demonstrate the effectiveness of our approach through three sets of experiments: radar recognition, human action recognition, and electroencephalography (EEG) classification. The code is available at https://github.com/GitZH-Chen/LieBN.git.

Covariance matrices have proven highly effective across many scientific fields. Since these matrices lie within the Symmetric Positive Definite (SPD) manifold - a Riemannian space with intrinsic non-Euclidean geometry, the primary challenge in representation learning is to respect this underlying geometric structure. Drawing inspiration from the success of Euclidean deep learning, researchers have developed neural networks on the SPD manifolds for more faithful covariance embedding learning. A notable advancement in this area is the implementation of Riemannian batch normalization (RBN), which has been shown to improve the performance of SPD network models. Nonetheless, the Riemannian metric beneath the existing RBN might fail to effectively deal with the ill-conditioned SPD matrices (ICSM), undermining the effectiveness of RBN. In contrast, the Bures-Wasserstein metric (BWM) demonstrates superior performance for ill-conditioning. In addition, the recently introduced Generalized BWM (GBWM) parameterizes the vanilla BWM via an SPD matrix, allowing for a more nuanced representation of vibrant geometries of the SPD manifold. Therefore, we propose a novel RBN algorithm based on the GBW geometry, incorporating a learnable metric parameter. Moreover, the deformation of GBWM by matrix power is also introduced to further enhance the representational capacity of GBWM-based RBN. Experimental results on different datasets validate the effectiveness of our proposed method.

We propose Riemannian Flow Matching (RFM), a simple yet powerful framework for training continuous normalizing flows on manifolds. Existing methods for generative modeling on manifolds either require expensive simulation, are inherently unable to scale to high dimensions, or use approximations for limiting quantities that result in biased training objectives. Riemannian Flow Matching bypasses these limitations and offers several advantages over previous approaches: it is simulation-free on simple geometries, does not require divergence computation, and computes its target vector field in closed-form. The key ingredient behind RFM is the construction of a relatively simple premetric for defining target vector fields, which encompasses the existing Euclidean case. To extend to general geometries, we rely on the use of spectral decompositions to efficiently compute premetrics on the fly. Our method achieves state-of-the-art performance on many real-world non-Euclidean datasets, and we demonstrate tractable training on general geometries, including triangular meshes with highly non-trivial curvature and boundaries.

We systematically explored a spectrum of normalization algorithms related to Batch Normalization (BN) and propose a generalized formulation that simultaneously solves two major limitations of BN: (1) online learning and (2) recurrent learning. Our proposal is simpler and more biologically-plausible. Unlike previous approaches, our technique can be applied out of the box to all learning scenarios (e.g., online learning, batch learning, fully-connected, convolutional, feedforward, recurrent and mixed --- recurrent and convolutional) and compare favorably with existing approaches. We also propose Lp Normalization for normalizing by different orders of statistical moments. In particular, L1 normalization is well-performing, simple to implement, fast to compute, more biologically-plausible and thus ideal for GPU or hardware implementations.

Riemannian representation learning typically relies on approximating densities on chosen manifolds. This involves optimizing difficult objectives, potentially harming models. To completely circumvent this issue, we introduce the Riemannian generative decoder which finds manifold-valued maximum likelihood latents with a Riemannian optimizer while training a decoder network. By discarding the encoder, we vastly simplify the manifold constraint compared to current approaches which often only handle few specific manifolds. We validate our approach on three case studies -- a synthetic branching diffusion process, human migrations inferred from mitochondrial DNA, and cells undergoing a cell division cycle -- each showing that learned representations respect the prescribed geometry and capture intrinsic non-Euclidean structure. Our method requires only a decoder, is compatible with existing architectures, and yields interpretable latent spaces aligned with data geometry.

We present weight normalization: a reparameterization of the weight vectors in a neural network that decouples the length of those weight vectors from their direction. By reparameterizing the weights in this way we improve the conditioning of the optimization problem and we speed up convergence of stochastic gradient descent. Our reparameterization is inspired by batch normalization but does not introduce any dependencies between the examples in a minibatch. This means that our method can also be applied successfully to recurrent models such as LSTMs and to noise-sensitive applications such as deep reinforcement learning or generative models, for which batch normalization is less well suited. Although our method is much simpler, it still provides much of the speed-up of full batch normalization. In addition, the computational overhead of our method is lower, permitting more optimization steps to be taken in the same amount of time. We demonstrate the usefulness of our method on applications in supervised image recognition, generative modelling, and deep reinforcement learning.

Riemannian submanifold optimization with momentum is computationally challenging because, to ensure that the iterates remain on the submanifold, we often need to solve difficult differential equations. Here, we simplify such difficulties for a class of structured symmetric positive-definite matrices with the affine-invariant metric. We do so by proposing a generalized version of the Riemannian normal coordinates that dynamically orthonormalizes the metric and locally converts the problem into an unconstrained problem in the Euclidean space. We use our approach to simplify existing approaches for structured covariances and develop matrix-inverse-free 2^nd-order optimizers for deep learning in low precision settings. Code: https://github.com/yorkerlin/StructuredNGD-DL

Normalizing Flows explicitly maximize a full-dimensional likelihood on the training data. However, real data is typically only supported on a lower-dimensional manifold leading the model to expend significant compute on modeling noise. Injective Flows fix this by jointly learning a manifold and the distribution on it. So far, they have been limited by restrictive architectures and/or high computational cost. We lift both constraints by a new efficient estimator for the maximum likelihood loss, compatible with free-form bottleneck architectures. We further show that naively learning both the data manifold and the distribution on it can lead to divergent solutions, and use this insight to motivate a stable maximum likelihood training objective. We perform extensive experiments on toy, tabular and image data, demonstrating the competitive performance of the resulting model.

Training state-of-the-art, deep neural networks is computationally expensive. One way to reduce the training time is to normalize the activities of the neurons. A recently introduced technique called batch normalization uses the distribution of the summed input to a neuron over a mini-batch of training cases to compute a mean and variance which are then used to normalize the summed input to that neuron on each training case. This significantly reduces the training time in feed-forward neural networks. However, the effect of batch normalization is dependent on the mini-batch size and it is not obvious how to apply it to recurrent neural networks. In this paper, we transpose batch normalization into layer normalization by computing the mean and variance used for normalization from all of the summed inputs to the neurons in a layer on a single training case. Like batch normalization, we also give each neuron its own adaptive bias and gain which are applied after the normalization but before the non-linearity. Unlike batch normalization, layer normalization performs exactly the same computation at training and test times. It is also straightforward to apply to recurrent neural networks by computing the normalization statistics separately at each time step. Layer normalization is very effective at stabilizing the hidden state dynamics in recurrent networks. Empirically, we show that layer normalization can substantially reduce the training time compared with previously published techniques.

Faithful visualizations of data residing on manifolds must take the underlying geometry into account when producing a flat planar view of the data. In this paper, we extend the classic stochastic neighbor embedding (SNE) algorithm to data on general Riemannian manifolds. We replace standard Gaussian assumptions with Riemannian diffusion counterparts and propose an efficient approximation that only requires access to calculations of Riemannian distances and volumes. We demonstrate that the approach also allows for mapping data from one manifold to another, e.g. from a high-dimensional sphere to a low-dimensional one.

Several first order stochastic optimization methods commonly used in the Euclidean domain such as stochastic gradient descent (SGD), accelerated gradient descent or variance reduced methods have already been adapted to certain Riemannian settings. However, some of the most popular of these optimization tools - namely Adam , Adagrad and the more recent Amsgrad - remain to be generalized to Riemannian manifolds. We discuss the difficulty of generalizing such adaptive schemes to the most agnostic Riemannian setting, and then provide algorithms and convergence proofs for geodesically convex objectives in the particular case of a product of Riemannian manifolds, in which adaptivity is implemented across manifolds in the cartesian product. Our generalization is tight in the sense that choosing the Euclidean space as Riemannian manifold yields the same algorithms and regret bounds as those that were already known for the standard algorithms. Experimentally, we show faster convergence and to a lower train loss value for Riemannian adaptive methods over their corresponding baselines on the realistic task of embedding the WordNet taxonomy in the Poincare ball.

Human motion generation is often learned in Euclidean spaces, although valid motions follow structured non-Euclidean geometry. We present Riemannian Motion Generation (RMG), a unified framework that represents motion on a product manifold and learns dynamics via Riemannian flow matching. RMG factorizes motion into several manifold factors, yielding a scale-free representation with intrinsic normalization, and uses geodesic interpolation, tangent-space supervision, and manifold-preserving ODE integration for training and sampling. On HumanML3D, RMG achieves state-of-the-art FID in the HumanML3D format (0.043) and ranks first on all reported metrics under the MotionStreamer format. On MotionMillion, it also surpasses strong baselines (FID 5.6, R@1 0.86). Ablations show that the compact T+R (translation + rotations) representation is the most stable and effective, highlighting geometry-aware modeling as a practical and scalable route to high-fidelity motion generation.

This paper introduces an end-to-end residual network that operates entirely on the Poincar\'e ball model of hyperbolic space. Hyperbolic learning has recently shown great potential for visual understanding, but is currently only performed in the penultimate layer(s) of deep networks. All visual representations are still learned through standard Euclidean networks. In this paper we investigate how to learn hyperbolic representations of visual data directly from the pixel-level. We propose Poincar\'e ResNet, a hyperbolic counterpart of the celebrated residual network, starting from Poincar\'e 2D convolutions up to Poincar\'e residual connections. We identify three roadblocks for training convolutional networks entirely in hyperbolic space and propose a solution for each: (i) Current hyperbolic network initializations collapse to the origin, limiting their applicability in deeper networks. We provide an identity-based initialization that preserves norms over many layers. (ii) Residual networks rely heavily on batch normalization, which comes with expensive Fr\'echet mean calculations in hyperbolic space. We introduce Poincar\'e midpoint batch normalization as a faster and equally effective alternative. (iii) Due to the many intermediate operations in Poincar\'e layers, we lastly find that the computation graphs of deep learning libraries blow up, limiting our ability to train on deep hyperbolic networks. We provide manual backward derivations of core hyperbolic operations to maintain manageable computation graphs.

Representing a manifold of very high-dimensional data with generative models has been shown to be computationally efficient in practice. However, this requires that the data manifold admits a global parameterization. In order to represent manifolds of arbitrary topology, we propose to learn a mixture model of variational autoencoders. Here, every encoder-decoder pair represents one chart of a manifold. We propose a loss function for maximum likelihood estimation of the model weights and choose an architecture that provides us the analytical expression of the charts and of their inverses. Once the manifold is learned, we use it for solving inverse problems by minimizing a data fidelity term restricted to the learned manifold. To solve the arising minimization problem we propose a Riemannian gradient descent algorithm on the learned manifold. We demonstrate the performance of our method for low-dimensional toy examples as well as for deblurring and electrical impedance tomography on certain image manifolds.

Learning the distribution of data on Riemannian manifolds is crucial for modeling data from non-Euclidean space, which is required by many applications in diverse scientific fields. Yet, existing generative models on manifolds suffer from expensive divergence computation or rely on approximations of heat kernel. These limitations restrict their applicability to simple geometries and hinder scalability to high dimensions. In this work, we introduce the Riemannian Diffusion Mixture, a principled framework for building a generative diffusion process on manifolds. Instead of following the denoising approach of previous diffusion models, we construct a diffusion process using a mixture of bridge processes derived on general manifolds without requiring heat kernel estimations. We develop a geometric understanding of the mixture process, deriving the drift as a weighted mean of tangent directions to the data points that guides the process toward the data distribution. We further propose a scalable training objective for learning the mixture process that readily applies to general manifolds. Our method achieves superior performance on diverse manifolds with dramatically reduced number of in-training simulation steps for general manifolds.

Tensor networks, originally developed for quantum many-body physics, are promising models for machine learning. We derive stochastic Riemannian optimizers for tree tensor networks (TTNs) on both their parameter and quotient manifolds, including adaptive and learning-rate-free schemes suitable for minibatch training. Using a hybrid CNN-TTN architecture, we evaluate the methods on Fashion-MNIST, CIFAR10, and Imagenette. The proposed optimizers achieve predictive performance comparable to unconstrained optimization while enabling numerically stable downstream compression.

Assigning one of K options to each of N groups under a total cost budget is a recurring problem in efficient AI, including mixed-precision quantization, non-uniform pruning, and expert selection. The objective, typically model loss, depends jointly on all assignments and does not decompose across groups, preventing combinatorial solvers from directly optimizing the true objective and forcing reliance on proxy formulations. Methods such as evolutionary search evaluate the actual loss but lack gradient information, while penalty-based approaches enforce the budget only approximately and often require extensive hyperparameter tuning. We present a new approach by showing that, under softmax relaxation, the budget constraint defines a smooth Riemannian manifold in logit space with unusually simple geometry. The normal vector admits a closed-form expression, shifting logits along the cost vector changes expected cost monotonically, and vector transport reduces to a single inner product. Building on these properties, we propose Riemannian Constrained Optimization (RCO), which augments a standard Adam step with tangent projection, binary-search retraction, and momentum transport. Combined with Gumbel straight-through estimation and budget-constrained dynamic programming for discrete feasibility, RCO enables first-order optimization of the actual loss under exact budget enforcement without introducing constraint-specific hyperparameters. Across both synthetic benchmarks and realistic LLM compression settings, RCO matches or exceeds state-of-the-art methods while often requiring substantially less wall-clock time. Source code is available at https://github.com/IST-DASLab/RCO.

Training Deep Neural Networks is complicated by the fact that the distribution of each layer's inputs changes during training, as the parameters of the previous layers change. This slows down the training by requiring lower learning rates and careful parameter initialization, and makes it notoriously hard to train models with saturating nonlinearities. We refer to this phenomenon as internal covariate shift, and address the problem by normalizing layer inputs. Our method draws its strength from making normalization a part of the model architecture and performing the normalization for each training mini-batch. Batch Normalization allows us to use much higher learning rates and be less careful about initialization. It also acts as a regularizer, in some cases eliminating the need for Dropout. Applied to a state-of-the-art image classification model, Batch Normalization achieves the same accuracy with 14 times fewer training steps, and beats the original model by a significant margin. Using an ensemble of batch-normalized networks, we improve upon the best published result on ImageNet classification: reaching 4.9% top-5 validation error (and 4.8% test error), exceeding the accuracy of human raters.

Batch Normalization (BN) has become an out-of-box technique to improve deep network training. However, its effectiveness is limited for micro-batch training, i.e., each GPU typically has only 1-2 images for training, which is inevitable for many computer vision tasks, e.g., object detection and semantic segmentation, constrained by memory consumption. To address this issue, we propose Weight Standardization (WS) and Batch-Channel Normalization (BCN) to bring two success factors of BN into micro-batch training: 1) the smoothing effects on the loss landscape and 2) the ability to avoid harmful elimination singularities along the training trajectory. WS standardizes the weights in convolutional layers to smooth the loss landscape by reducing the Lipschitz constants of the loss and the gradients; BCN combines batch and channel normalizations and leverages estimated statistics of the activations in convolutional layers to keep networks away from elimination singularities. We validate WS and BCN on comprehensive computer vision tasks, including image classification, object detection, instance segmentation, video recognition and semantic segmentation. All experimental results consistently show that WS and BCN improve micro-batch training significantly. Moreover, using WS and BCN with micro-batch training is even able to match or outperform the performances of BN with large-batch training.

Normalization layers are one of the key building blocks for deep neural networks. Several theoretical studies have shown that batch normalization improves the signal propagation, by avoiding the representations from becoming collinear across the layers. However, results on mean-field theory of batch normalization also conclude that this benefit comes at the expense of exploding gradients in depth. Motivated by these two aspects of batch normalization, in this study we pose the following question: "Can a batch-normalized network keep the optimal signal propagation properties, but avoid exploding gradients?" We answer this question in the affirmative by giving a particular construction of an Multi-Layer Perceptron (MLP) with linear activations and batch-normalization that provably has bounded gradients at any depth. Based on Weingarten calculus, we develop a rigorous and non-asymptotic theory for this constructed MLP that gives a precise characterization of forward signal propagation, while proving that gradients remain bounded for linearly independent input samples, which holds in most practical settings. Inspired by our theory, we also design an activation shaping scheme that empirically achieves the same properties for certain non-linear activations.

Batch normalization is a key component of most image classification models, but it has many undesirable properties stemming from its dependence on the batch size and interactions between examples. Although recent work has succeeded in training deep ResNets without normalization layers, these models do not match the test accuracies of the best batch-normalized networks, and are often unstable for large learning rates or strong data augmentations. In this work, we develop an adaptive gradient clipping technique which overcomes these instabilities, and design a significantly improved class of Normalizer-Free ResNets. Our smaller models match the test accuracy of an EfficientNet-B7 on ImageNet while being up to 8.7x faster to train, and our largest models attain a new state-of-the-art top-1 accuracy of 86.5%. In addition, Normalizer-Free models attain significantly better performance than their batch-normalized counterparts when finetuning on ImageNet after large-scale pre-training on a dataset of 300 million labeled images, with our best models obtaining an accuracy of 89.2%. Our code is available at https://github.com/deepmind/ deepmind-research/tree/master/nfnets

Graph Neural Networks (GNNs) had been demonstrated to be inherently susceptible to the problems of over-smoothing and over-squashing. These issues prohibit the ability of GNNs to model complex graph interactions by limiting their effectiveness in taking into account distant information. Our study reveals the key connection between the local graph geometry and the occurrence of both of these issues, thereby providing a unified framework for studying them at a local scale using the Ollivier-Ricci curvature. Specifically, we demonstrate that over-smoothing is linked to positive graph curvature while over-squashing is linked to negative graph curvature. Based on our theory, we propose the Batch Ollivier-Ricci Flow, a novel rewiring algorithm capable of simultaneously addressing both over-smoothing and over-squashing.

Batch Normalization is a key component in almost all state-of-the-art image classifiers, but it also introduces practical challenges: it breaks the independence between training examples within a batch, can incur compute and memory overhead, and often results in unexpected bugs. Building on recent theoretical analyses of deep ResNets at initialization, we propose a simple set of analysis tools to characterize signal propagation on the forward pass, and leverage these tools to design highly performant ResNets without activation normalization layers. Crucial to our success is an adapted version of the recently proposed Weight Standardization. Our analysis tools show how this technique preserves the signal in networks with ReLU or Swish activation functions by ensuring that the per-channel activation means do not grow with depth. Across a range of FLOP budgets, our networks attain performance competitive with the state-of-the-art EfficientNets on ImageNet.

We generalize the class vectors found in neural networks to linear subspaces (i.e.~points in the Grassmann manifold) and show that the Grassmann Class Representation (GCR) enables the simultaneous improvement in accuracy and feature transferability. In GCR, each class is a subspace and the logit is defined as the norm of the projection of a feature onto the class subspace. We integrate Riemannian SGD into deep learning frameworks such that class subspaces in a Grassmannian are jointly optimized with the rest model parameters. Compared to the vector form, the representative capability of subspaces is more powerful. We show that on ImageNet-1K, the top-1 error of ResNet50-D, ResNeXt50, Swin-T and Deit3-S are reduced by 5.6%, 4.5%, 3.0% and 3.5%, respectively. Subspaces also provide freedom for features to vary and we observed that the intra-class feature variability grows when the subspace dimension increases. Consequently, we found the quality of GCR features is better for downstream tasks. For ResNet50-D, the average linear transfer accuracy across 6 datasets improves from 77.98% to 79.70% compared to the strong baseline of vanilla softmax. For Swin-T, it improves from 81.5% to 83.4% and for Deit3, it improves from 73.8% to 81.4%. With these encouraging results, we believe that more applications could benefit from the Grassmann class representation. Code is released at https://github.com/innerlee/GCR.

This paper introduces a new interpretation of the Variational Autoencoder framework by taking a fully geometric point of view. We argue that vanilla VAE models unveil naturally a Riemannian structure in their latent space and that taking into consideration those geometrical aspects can lead to better interpolations and an improved generation procedure. This new proposed sampling method consists in sampling from the uniform distribution deriving intrinsically from the learned Riemannian latent space and we show that using this scheme can make a vanilla VAE competitive and even better than more advanced versions on several benchmark datasets. Since generative models are known to be sensitive to the number of training samples we also stress the method's robustness in the low data regime.

We address the fundamental question of why deep neural networks generalize by establishing a pointwise generalization theory for fully connected networks. This framework resolves long-standing barriers to characterizing the rich nonlinear feature-learning regime and builds a new statistical foundation for representation learning. For each trained model, we characterize the hypothesis via a pointwise Riemannian Dimension, derived from the eigenvalues of the learned feature representations across layers. This establishes a principled framework for deriving hypothesis-dependent, representation-aware generalization bounds. These bounds offer a systematic upgrade over approaches based on model size, products of norms, and infinite-width linearizations, yielding guarantees that are orders of magnitude tighter in both theory and experiment. Analytically, we identify the structural properties and mathematical principles that explain the tractability of deep networks. Empirically, the pointwise Riemannian Dimension exhibits substantial feature compression, decreases with increased over-parameterization, and captures the implicit bias of optimizers. Taken together, our results indicate that deep networks are mathematically tractable in practical regimes and that their generalization is sharply explained by pointwise, feature-spectrum-aware complexity.

Online Normalization is a new technique for normalizing the hidden activations of a neural network. Like Batch Normalization, it normalizes the sample dimension. While Online Normalization does not use batches, it is as accurate as Batch Normalization. We resolve a theoretical limitation of Batch Normalization by introducing an unbiased technique for computing the gradient of normalized activations. Online Normalization works with automatic differentiation by adding statistical normalization as a primitive. This technique can be used in cases not covered by some other normalizers, such as recurrent networks, fully connected networks, and networks with activation memory requirements prohibitive for batching. We show its applications to image classification, image segmentation, and language modeling. We present formal proofs and experimental results on ImageNet, CIFAR, and PTB datasets.

A wide variety of deep learning techniques from style transfer to multitask learning rely on training affine transformations of features. Most prominent among these is the popular feature normalization technique BatchNorm, which normalizes activations and then subsequently applies a learned affine transform. In this paper, we aim to understand the role and expressive power of affine parameters used to transform features in this way. To isolate the contribution of these parameters from that of the learned features they transform, we investigate the performance achieved when training only these parameters in BatchNorm and freezing all weights at their random initializations. Doing so leads to surprisingly high performance considering the significant limitations that this style of training imposes. For example, sufficiently deep ResNets reach 82% (CIFAR-10) and 32% (ImageNet, top-5) accuracy in this configuration, far higher than when training an equivalent number of randomly chosen parameters elsewhere in the network. BatchNorm achieves this performance in part by naturally learning to disable around a third of the random features. Not only do these results highlight the expressive power of affine parameters in deep learning, but - in a broader sense - they characterize the expressive power of neural networks constructed simply by shifting and rescaling random features.

Riemannian diffusion models draw inspiration from standard Euclidean space diffusion models to learn distributions on general manifolds. Unfortunately, the additional geometric complexity renders the diffusion transition term inexpressible in closed form, so prior methods resort to imprecise approximations of the score matching training objective that degrade performance and preclude applications in high dimensions. In this work, we reexamine these approximations and propose several practical improvements. Our key observation is that most relevant manifolds are symmetric spaces, which are much more amenable to computation. By leveraging and combining various ans\"{a}tze, we can quickly compute relevant quantities to high precision. On low dimensional datasets, our correction produces a noticeable improvement, allowing diffusion to compete with other methods. Additionally, we show that our method enables us to scale to high dimensional tasks on nontrivial manifolds. In particular, we model QCD densities on SU(n) lattices and contrastively learned embeddings on high dimensional hyperspheres.

Gaussian processes (GPs) are popular nonparametric statistical models for learning unknown functions and quantifying the spatiotemporal uncertainty in data. Recent works have extended GPs to model scalar and vector quantities distributed over non-Euclidean domains, including smooth manifolds appearing in numerous fields such as computer vision, dynamical systems, and neuroscience. However, these approaches assume that the manifold underlying the data is known, limiting their practical utility. We introduce RVGP, a generalisation of GPs for learning vector signals over latent Riemannian manifolds. Our method uses positional encoding with eigenfunctions of the connection Laplacian, associated with the tangent bundle, readily derived from common graph-based approximation of data. We demonstrate that RVGP possesses global regularity over the manifold, which allows it to super-resolve and inpaint vector fields while preserving singularities. Furthermore, we use RVGP to reconstruct high-density neural dynamics derived from low-density EEG recordings in healthy individuals and Alzheimer's patients. We show that vector field singularities are important disease markers and that their reconstruction leads to a comparable classification accuracy of disease states to high-density recordings. Thus, our method overcomes a significant practical limitation in experimental and clinical applications.

Multi-domain graph pre-training integrates knowledge from diverse domains to enhance performance in the target domains, which is crucial for building graph foundation models. Despite initial success, existing solutions often fall short of answering a fundamental question: how is knowledge integrated or transferred across domains? This theoretical limitation motivates us to rethink the consistency and transferability between model pre-training and domain adaptation. In this paper, we propose a fresh Riemannian geometry perspective, whose core idea is to merge any graph dataset into a unified, smooth Riemannian manifold, enabling a systematic understanding of knowledge integration and transfer. To achieve this, our key contribution is the theoretical establishment of neural manifold gluing, which first characterizes local geometry using an adaptive orthogonal frame and then "glues" the local pieces together into a coherent whole. Building on this theory, we present the GraphGlue framework, which supports batched pre-training with EMA prototyping and provides a transferability measure based on geometric consistence. Extensive experiments demonstrate its superior performance across diverse graph domains. Moreover, we empirically validated GraphGlue's geometric scaling law, showing that larger quantities of datasets improve model transferability by producing a smoother manifold. Codes are available at https://github.com/RiemannGraph/GraphGlue.

Leveraging representation encoders for generative modeling offers a path for efficient, high-fidelity synthesis. However, standard diffusion transformers fail to converge on these representations directly. While recent work attributes this to a capacity bottleneck proposing computationally expensive width scaling of diffusion transformers we demonstrate that the failure is fundamentally geometric. We identify Geometric Interference as the root cause: standard Euclidean flow matching forces probability paths through the low-density interior of the hyperspherical feature space of representation encoders, rather than following the manifold surface. To resolve this, we propose Riemannian Flow Matching with Jacobi Regularization (RJF). By constraining the generative process to the manifold geodesics and correcting for curvature-induced error propagation, RJF enables standard Diffusion Transformer architectures to converge without width scaling. Our method RJF enables the standard DiT-B architecture (131M parameters) to converge effectively, achieving an FID of 3.37 where prior methods fail to converge. Code: https://github.com/amandpkr/RJF

Modern training on a new task often starts from a previously trained model rather than from scratch, raising the question of how this initialization affects the subsequent training trajectory. Classical implicit-bias results characterize the direction selected by prolonged training, but this direction alone does not provide information regarding the intermediate behavior. We address this question through a geometric approximation of full-batch logistic gradient descent (GD) trajectories on strictly linearly separable data, with large initialization of scale R motivated by prior training. From any limiting normalized initial position, we use minimum-norm projection rules to construct a unique continuous ideal path consisting of finitely many linear segments. The path has two stages: negative-margin correction followed by minimum-margin growth. We prove that, after an explicit two-stage time reparameterization, the fixed-step GD trajectory divided by R converges uniformly to this path on every fixed parameter interval as Rtoinfty. Further, our quantitative error bounds account for initialization perturbations and the transition between stages. This approximation provides asymptotic formulas for peak evaluation loss and cumulative training loss. In particular, peak evaluation loss can grow linearly in R even when both endpoint losses tend to zero. The cumulative losses in the correction and margin-growth stages, normalized by R^2 and R, respectively, converge to explicit limits. Experiments on controlled geometries and fixed image features complement our theoretical results.

Transport maps can ease the sampling of distributions with non-trivial geometries by transforming them into distributions that are easier to handle. The potential of this approach has risen with the development of Normalizing Flows (NF) which are maps parameterized with deep neural networks trained to push a reference distribution towards a target. NF-enhanced samplers recently proposed blend (Markov chain) Monte Carlo methods with either (i) proposal draws from the flow or (ii) a flow-based reparametrization. In both cases, the quality of the learned transport conditions performance. The present work clarifies for the first time the relative strengths and weaknesses of these two approaches. Our study concludes that multimodal targets can be reliably handled with flow-based proposals up to moderately high dimensions. In contrast, methods relying on reparametrization struggle with multimodality but are more robust otherwise in high-dimensional settings and under poor training. To further illustrate the influence of target-proposal adequacy, we also derive a new quantitative bound for the mixing time of the Independent Metropolis-Hastings sampler.

Score-based generative models (SGMs) are a powerful class of generative models that exhibit remarkable empirical performance. Score-based generative modelling (SGM) consists of a ``noising'' stage, whereby a diffusion is used to gradually add Gaussian noise to data, and a generative model, which entails a ``denoising'' process defined by approximating the time-reversal of the diffusion. Existing SGMs assume that data is supported on a Euclidean space, i.e. a manifold with flat geometry. In many domains such as robotics, geoscience or protein modelling, data is often naturally described by distributions living on Riemannian manifolds and current SGM techniques are not appropriate. We introduce here Riemannian Score-based Generative Models (RSGMs), a class of generative models extending SGMs to Riemannian manifolds. We demonstrate our approach on a variety of manifolds, and in particular with earth and climate science spherical data.

Residual connections are the de facto mechanism for training deep neural networks stably. Geodesic Normalization (GeoNorm) recasts them on a Riemannian manifold, orthogonalizing each layer output against the current hidden state and applying the resulting update through the Riemannian exponential map. Every hidden state thus keeps a constant ell_{2}-norm, confining the residual stream to a hypersphere. The exponential map, however, is only one member of a broad family of retraction maps. We show that on the hypersphere this entire family collapses to a single scalar design choice. What distinguishes one retraction from another is only how the magnitude of an update is converted into a rotation angle within the plane spanned by the hidden state and the update. This view places Euclidean residual connections and GeoNorm in one framework. Instantiating it with the metric projection retraction and the Cayley retraction yields Proj-SpheretNorm and Cay-SpheretNorm, which are exactly norm-preserving yet require only algebraic operations. Both prove to be members of a one-parameter family of angular retractions, p-SpheretNorm, whose rotation angle saturates rather than growing without bound. The two methods above are recovered exactly at p = 1 and p = 2, while the identity map and GeoNorm arise only as limits at either end. On nanoGPT, all three methods outperform existing lightweight deep connection schemes, and the best validation loss is attained at finite p, indicating that the exponential map is not the preferred retraction for spherical residual streams but merely one end of a spectrum.

The gradients of convex functions are expressive models of non-trivial vector fields. For example, Brenier's theorem yields that the optimal transport map between any two measures on Euclidean space under the squared distance is realized as a convex gradient, which is a key insight used in recent generative flow models. In this paper, we study how to model convex gradients by integrating a Jacobian-vector product parameterized by a neural network, which we call the Input Convex Gradient Network (ICGN). We theoretically study ICGNs and compare them to taking the gradient of an Input-Convex Neural Network (ICNN), empirically demonstrating that a single layer ICGN can fit a toy example better than a single layer ICNN. Lastly, we explore extensions to deeper networks and connections to constructions from Riemannian geometry.

Estimating the pose of an object from a monocular image is an inverse problem fundamental in computer vision. The ill-posed nature of this problem requires incorporating deformation priors to solve it. In practice, many materials do not perceptibly shrink or extend when manipulated, constituting a powerful and well-known prior. Mathematically, this translates to the preservation of the Riemannian metric. Neural networks offer the perfect playground to solve the surface reconstruction problem as they can approximate surfaces with arbitrary precision and allow the computation of differential geometry quantities. This paper presents an approach to inferring continuous deformable surfaces from a sequence of images, which is benchmarked against several techniques and obtains state-of-the-art performance without the need for offline training.

Diffusion and flow models have become the dominant paradigm for generative modeling on Riemannian manifolds, with successful applications in protein backbone generation and DNA sequence design. However, these methods require tens to hundreds of neural network evaluations at inference time, which can become a computational bottleneck in large-scale scientific sampling workflows. We introduce Riemannian MeanFlow~(RMF), a framework for learning flow maps directly on manifolds, enabling high-quality generations with as few as one forward pass. We derive three equivalent characterizations of the manifold average velocity (Eulerian, Lagrangian, and semigroup identities), and analyze parameterizations and stabilization techniques to improve training on high-dimensional manifolds. In promoter DNA design and protein backbone generation settings, RMF achieves comparable sample quality to prior methods while requiring up to 10times fewer function evaluations. Finally, we show that few-step flow maps enable efficient reward-guided design through reward look-ahead, where terminal states can be predicted from intermediate steps at minimal additional cost.

Relative representations are an established approach to zero-shot model stitching, consisting of a non-trainable transformation of the latent space of a deep neural network. Based on insights of topological and geometric nature, we propose two improvements to relative representations. First, we introduce a normalization procedure in the relative transformation, resulting in invariance to non-isotropic rescalings and permutations. The latter coincides with the symmetries in parameter space induced by common activation functions. Second, we propose to deploy topological densification when fine-tuning relative representations, a topological regularization loss encouraging clustering within classes. We provide an empirical investigation on a natural language task, where both the proposed variations yield improved performance on zero-shot model stitching.

As hyperparameter tuning becomes increasingly costly at scale, efficient tuning methods are essential. Yet principles for guiding hyperparameter tuning remain limited. In this work, we seek to establish such principles by considering a broad range of hyperparameters, including batch size, learning rate, and weight decay. We identify a phenomenon we call trajectory invariance, where pre-training loss curves, gradient noise, and gradient norm exhibit invariance--closely overlapping--with respect to a quantity that combines learning rate and weight decay. This phenomenon effectively reduces the original two-dimensional hyperparameter space to one dimension, yielding an efficient tuning rule: follow the salient direction revealed by trajectory invariance. Furthermore, we refine previous scaling laws and challenge several existing viewpoints. Overall, our work proposes new principles for efficient tuning and inspires future research on scaling laws.

We introduce a new family of deep neural network models. Instead of specifying a discrete sequence of hidden layers, we parameterize the derivative of the hidden state using a neural network. The output of the network is computed using a black-box differential equation solver. These continuous-depth models have constant memory cost, adapt their evaluation strategy to each input, and can explicitly trade numerical precision for speed. We demonstrate these properties in continuous-depth residual networks and continuous-time latent variable models. We also construct continuous normalizing flows, a generative model that can train by maximum likelihood, without partitioning or ordering the data dimensions. For training, we show how to scalably backpropagate through any ODE solver, without access to its internal operations. This allows end-to-end training of ODEs within larger models.

Many scientific datasets, such as molecular conformational ensembles or single-cell tissue measurements, are naturally modeled as meta-distributions: distributions over probability measures on non-Euclidean domains. Existing generative methods largely assume Euclidean geometry and fail to capture this structure. We introduce Riemannian Wasserstein Entropic Flow Matching (RWEFM), a generative framework on the Wasserstein space P_2(M) of a Riemannian manifold (M,g). RWEFM is trained by regressing a neural vector field onto Riemannian optimal transport velocities, using McCann displacement interpolations as conditional paths. We confirm theoretically that this construction leads to a valid flow matching approach on P_2(M) and introduce the Riemannian Entropic Map, a GPU-efficient approximation of the optimal transport map on manifolds. Our experiments show that by respecting the intrinsic geometry of the data, RWEFM can generate whole single-cell samples in hyperspherical latent spaces and protein conformational ensembles on the torus. As RWEFM requires only a geodesic distance and a projection operator, it is not restricted to manifolds with closed-form geometry, which we demonstrate by generating distributions on a general triangulated mesh.

Hyperbolic geometry is gaining traction in machine learning for its effectiveness at capturing hierarchical structures in real-world data. Hyperbolic spaces, where neighborhoods grow exponentially, offer substantial advantages and consistently deliver state-of-the-art results across diverse applications. However, hyperbolic classifiers often grapple with computational challenges. Methods reliant on Riemannian optimization frequently exhibit sluggishness, stemming from the increased computational demands of operations on Riemannian manifolds. In response to these challenges, we present hyperDT, a novel extension of decision tree algorithms into hyperbolic space. Crucially, hyperDT eliminates the need for computationally intensive Riemannian optimization, numerically unstable exponential and logarithmic maps, or pairwise comparisons between points by leveraging inner products to adapt Euclidean decision tree algorithms to hyperbolic space. Our approach is conceptually straightforward and maintains constant-time decision complexity while mitigating the scalability issues inherent in high-dimensional Euclidean spaces. Building upon hyperDT we introduce hyperRF, a hyperbolic random forest model. Extensive benchmarking across diverse datasets underscores the superior performance of these models, providing a swift, precise, accurate, and user-friendly toolkit for hyperbolic data analysis.

Parameter-efficient adaptation of pretrained vision models is commonly performed through linear probes, prompts, low-rank updates, or lightweight residual modules. While effective, these methods usually treat adaptation as a discrete Euclidean perturbation of frozen representations, without explicitly modeling the geometry of the task-induced feature displacement. We propose MC-RFM, a mixed-curvature Riemannian flow-matching framework for few-shot adaptation of frozen visual backbones. The key idea is to represent adapted features on a product manifold combining a hyperbolic factor, which captures hierarchy-sensitive semantic structure, and a Euclidean factor, which preserves locally discriminative visual variation. Adaptation is formulated as a task-conditioned continuous transport from frozen features to support-set prototypes, trained with a flow-matching objective and coupled to a hybrid prototype-linear classifier. The method is lightweight, backbone-agnostic, and operates entirely on cached frozen features. Across seven visual recognition benchmarks, five frozen backbones, and 1/4/16-shot regimes, MC-RFM is the best-performing method in a majority of evaluated settings, with the strongest gains on Transformer backbones and fine-grained datasets. Ablations show that the mixed-curvature head, task conditioning, adaptive branch gating, prototype shrinkage, and discriminative supervision each contribute to performance. These results suggest that few-shot adaptation benefits not only from deciding which parameters to update, but also from modeling how representations should move through a geometry matched to the structure of the downstream task.

We present a class of novel optimisers for training neural networks that makes use of the Riemannian metric naturally induced when the loss landscape is embedded in higher-dimensional space. This is the same metric that underlies common visualisations of loss landscapes. By taking this geometric perspective literally and using the induced metric, we develop a new optimiser and compare it to existing methods, namely: SGD, Adam, AdamW, and Muon, across a range of tasks and architectures. Empirically, we conclude that this new class of optimisers is highly effective in low dimensional examples, and provides slight improvement over state-of-the-art methods for training neural networks. These new optimisers have theoretically desirable properties. In particular, the effective learning rate is automatically decreased in regions of high curvature acting as a smoothed out form of gradient clipping. Similarly, one variant of these optimisers can also be viewed as inducing an effective scheduled learning rate and decoupled weight decay is the natural choice from our geometric perspective. The basic method can be used to modify any existing preconditioning method. The new optimiser has a computational complexity comparable to that of Adam.

We study the effect of mini-batching on the loss landscape of deep neural networks using spiked, field-dependent random matrix theory. We demonstrate that the magnitude of the extremal values of the batch Hessian are larger than those of the empirical Hessian. We also derive similar results for the Generalised Gauss-Newton matrix approximation of the Hessian. As a consequence of our theorems we derive an analytical expressions for the maximal learning rates as a function of batch size, informing practical training regimens for both stochastic gradient descent (linear scaling) and adaptive algorithms, such as Adam (square root scaling), for smooth, non-convex deep neural networks. Whilst the linear scaling for stochastic gradient descent has been derived under more restrictive conditions, which we generalise, the square root scaling rule for adaptive optimisers is, to our knowledge, completely novel. %For stochastic second-order methods and adaptive methods, we derive that the minimal damping coefficient is proportional to the ratio of the learning rate to batch size. We validate our claims on the VGG/WideResNet architectures on the CIFAR-100 and ImageNet datasets. Based on our investigations of the sub-sampled Hessian we develop a stochastic Lanczos quadrature based on the fly learning rate and momentum learner, which avoids the need for expensive multiple evaluations for these key hyper-parameters and shows good preliminary results on the Pre-Residual Architecure for CIFAR-100.

Understanding the geometric structure of pre-trained language model embeddings matters for interpretability and safety. We ask whether sentence-level classification signal lives in the Riemannian geometry of contextual token embeddings, and probe it by extracting per-token pullback metrics from a learned encoder's analytical Jacobian and aggregating them with the Fréchet mean on the symmetric positive definite (SPD) manifold; we call this procedure Riemannian Mean Pooling (RMP). Across three datasets with non-trivial linguistic structure (CoLA, CREAK, RTE), RMP outperforms Euclidean mean pooling, while on FEVER-Symmetric, a benchmark constructed to remove annotation-driven lexical artifacts, the method correctly stays at chance. Ablations show that a randomly initialised encoder combined with Fréchet aggregation already beats Euclidean pooling on two of the three signal-bearing datasets, localising the source of the gain to the geometric aggregation rather than to learned manifold structure; the trained encoder contributes additional signal specifically on CREAK, the most knowledge-heavy of the three signal-bearing datasets.

We show that low-rank adaptation of large-scale models suffers from a low stable rank that is well below the linear algebraic rank of the subspace, degrading fine-tuning performance. To mitigate the underutilization of the allocated subspace, we propose PoLAR, a parameterization inspired by the polar decomposition that factorizes the low-rank update into two direction matrices constrained to Stiefel manifolds and an unconstrained scale matrix. Our theory shows that PoLAR yields an exponentially faster convergence rate on a canonical low-rank adaptation problem. Pairing the parameterization with Riemannian optimization leads to consistent gains on three different benchmarks testing general language understanding, commonsense reasoning, and mathematical problem solving with base model sizes ranging from 350M to 27B.

Normalizing Flows (NFs) are a class of generative models distinguished by a mathematically invertible architecture, where the forward pass transforms data into a latent space for density estimation, and the reverse pass generates new samples from this space. This characteristic creates an intrinsic synergy between representation learning and data generation. However, the generative quality of standard NFs is limited by poor semantic representations from log-likelihood optimization. To remedy this, we propose a novel alignment strategy that creatively leverages the invertibility of NFs: instead of regularizing the forward pass, we align the intermediate features of the generative (reverse) pass with representations from a powerful vision foundation model, demonstrating superior effectiveness over naive alignment. We also introduce a novel training-free, test-time optimization algorithm for classification, which provides a more intrinsic evaluation of the NF's embedded semantic knowledge. Comprehensive experiments demonstrate that our approach accelerates the training of NFs by over 3.3times, while simultaneously delivering significant improvements in both generative quality and classification accuracy. New state-of-the-art results for NFs are established on ImageNet 64times64 and 256times256. Our code is available at https://github.com/MCG-NJU/FlowBack.

Normalizing Flows (NFs) have been established as a principled framework for generative modeling. Standard NFs consist of a forward process and a reverse process: the forward process maps data to noise, while the reverse process generates samples by inverting it. Typical NF forward transformations are constrained by explicit invertibility, ensuring that the reverse process can serve as their exact analytic inverse. Recent developments in TARFlow and its variants have revitalized NF methods by combining Transformers and autoregressive flows, but have also exposed causal decoding as a major bottleneck. In this work, we introduce Bidirectional Normalizing Flow (BiFlow), a framework that removes the need for an exact analytic inverse. BiFlow learns a reverse model that approximates the underlying noise-to-data inverse mapping, enabling more flexible loss functions and architectures. Experiments on ImageNet demonstrate that BiFlow, compared to its causal decoding counterpart, improves generation quality while accelerating sampling by up to two orders of magnitude. BiFlow yields state-of-the-art results among NF-based methods and competitive performance among single-evaluation ("1-NFE") methods. Following recent encouraging progress on NFs, we hope our work will draw further attention to this classical paradigm.

The placement of normalization layers, specifically Pre-Norm and Post-Norm, remains an open question in Transformer architecture design. In this work, we rethink these approaches through the lens of manifold optimization, interpreting the outputs of the Feed-Forward Network (FFN) and attention layers as update directions in optimization. Building on this perspective, we introduce GeoNorm, a novel method that replaces standard normalization with geodesic updates on the manifold. Furthermore, analogous to learning rate schedules, we propose a layer-wise update decay for the FFN and attention components. Comprehensive experiments demonstrate that GeoNorm consistently outperforms existing normalization methods in Transformer models. Crucially, GeoNorm can be seamlessly integrated into standard Transformer architectures, achieving performance improvements with negligible additional computational cost.

In this paper, we apply the self-attention from the state-of-the-art Transformer in Attention Is All You Need for the first time to a data-driven operator learning problem related to partial differential equations. An effort is put together to explain the heuristics of, and to improve the efficacy of the attention mechanism. By employing the operator approximation theory in Hilbert spaces, it is demonstrated for the first time that the softmax normalization in the scaled dot-product attention is sufficient but not necessary. Without softmax, the approximation capacity of a linearized Transformer variant can be proved to be comparable to a Petrov-Galerkin projection layer-wise, and the estimate is independent with respect to the sequence length. A new layer normalization scheme mimicking the Petrov-Galerkin projection is proposed to allow a scaling to propagate through attention layers, which helps the model achieve remarkable accuracy in operator learning tasks with unnormalized data. Finally, we present three operator learning experiments, including the viscid Burgers' equation, an interface Darcy flow, and an inverse interface coefficient identification problem. The newly proposed simple attention-based operator learner, Galerkin Transformer, shows significant improvements in both training cost and evaluation accuracy over its softmax-normalized counterparts.

Flow matching with x-prediction -- regressing the clean data point rather than the ambient velocity -- is known to exploit low-dimensional manifold structure effectively in pixel space li2025back. We ask whether a pretrained representation space, while containing a low-dimensional data manifold of comparable intrinsic dimensionality, offers a distribution more favorable for flow-matching learning. Comparing pixel, SD-VAE, and DINOv2 features along four geometric axes, we find that pixel and DINOv2 share nearly identical intrinsic dimensionalities (both d!approx!33) yet DINOv2 exhibits 7.3times higher effective rank, 35times better covariance conditioning, 11.5times lower excess kurtosis, and 1.7times lower on-manifold interpolation error; SD-VAE latents are consistently intermediate, indicating that the advantage stems from representation-learning objectives rather than mere compression. These statistical properties render the flow-matching regression well-conditioned and remove the need for the specialized prediction heads or Riemannian transport used by prior DINOv2 diffusion methods. We propose the Representation Image Transformer (RiT): a vanilla Diffusion Transformer trained by x-prediction on frozen DINOv2 features, augmented only by a dimension-aware noise schedule and joint [CLS]-patch modeling. On ImageNet 256{times}256, RiT attains FID 1.45 without guidance and 1.14 with classifier-free guidance, outperforming DiT^DH-XL with 19% fewer parameters (676M vs.\ 839M). The resulting ODE is efficiently solvable at coarse discretizations: with classifier-free guidance, 5 Heun steps already reach FID 2.0 and 10 steps reach 1.25, without distillation or consistency training. Code at https://github.com/lezhang7/RiT.

Deep Learning has revolutionized vision via convolutional neural networks (CNNs) and natural language processing via recurrent neural networks (RNNs). However, success stories of Deep Learning with standard feed-forward neural networks (FNNs) are rare. FNNs that perform well are typically shallow and, therefore cannot exploit many levels of abstract representations. We introduce self-normalizing neural networks (SNNs) to enable high-level abstract representations. While batch normalization requires explicit normalization, neuron activations of SNNs automatically converge towards zero mean and unit variance. The activation function of SNNs are "scaled exponential linear units" (SELUs), which induce self-normalizing properties. Using the Banach fixed-point theorem, we prove that activations close to zero mean and unit variance that are propagated through many network layers will converge towards zero mean and unit variance -- even under the presence of noise and perturbations. This convergence property of SNNs allows to (1) train deep networks with many layers, (2) employ strong regularization, and (3) to make learning highly robust. Furthermore, for activations not close to unit variance, we prove an upper and lower bound on the variance, thus, vanishing and exploding gradients are impossible. We compared SNNs on (a) 121 tasks from the UCI machine learning repository, on (b) drug discovery benchmarks, and on (c) astronomy tasks with standard FNNs and other machine learning methods such as random forests and support vector machines. SNNs significantly outperformed all competing FNN methods at 121 UCI tasks, outperformed all competing methods at the Tox21 dataset, and set a new record at an astronomy data set. The winning SNN architectures are often very deep. Implementations are available at: github.com/bioinf-jku/SNNs.

Recent work shows that path gradient estimators for normalizing flows have lower variance compared to standard estimators for variational inference, resulting in improved training. However, they are often prohibitively more expensive from a computational point of view and cannot be applied to maximum likelihood training in a scalable manner, which severely hinders their widespread adoption. In this work, we overcome these crucial limitations. Specifically, we propose a fast path gradient estimator which improves computational efficiency significantly and works for all normalizing flow architectures of practical relevance. We then show that this estimator can also be applied to maximum likelihood training for which it has a regularizing effect as it can take the form of a given target energy function into account. We empirically establish its superior performance and reduced variance for several natural sciences applications.

Conditional flow matching (CFM) has emerged as a powerful framework for training continuous normalizing flows due to its computational efficiency and effectiveness. However, standard CFM often produces paths that deviate significantly from straight-line interpolations between prior and target distributions, making generation slower and less accurate due to the need for fine discretization at inference. Recent methods enhance CFM performance by inducing shorter and straighter trajectories but typically rely on computationally expensive mini-batch optimal transport (OT). Drawing insights from entropic optimal transport (EOT), we propose Weighted Conditional Flow Matching (W-CFM), a novel approach that modifies the classical CFM loss by weighting each training pair (x, y) with a Gibbs kernel. We show that this weighting recovers the entropic OT coupling up to some bias in the marginals, and we provide the conditions under which the marginals remain nearly unchanged. Moreover, we establish an equivalence between W-CFM and the minibatch OT method in the large-batch limit, showing how our method overcomes computational and performance bottlenecks linked to batch size. Empirically, we test our method on unconditional generation on various synthetic and real datasets, confirming that W-CFM achieves comparable or superior sample quality, fidelity, and diversity to other alternative baselines while maintaining the computational efficiency of vanilla CFM.

This paper investigates the generalization of Principal Component Analysis (PCA) to Riemannian manifolds. We first propose a new and general type of family of subspaces in manifolds that we call barycentric subspaces. They are implicitly defined as the locus of points which are weighted means of k+1 reference points. As this definition relies on points and not on tangent vectors, it can also be extended to geodesic spaces which are not Riemannian. For instance, in stratified spaces, it naturally allows principal subspaces that span several strata, which is impossible in previous generalizations of PCA. We show that barycentric subspaces locally define a submanifold of dimension k which generalizes geodesic subspaces.Second, we rephrase PCA in Euclidean spaces as an optimization on flags of linear subspaces (a hierarchy of properly embedded linear subspaces of increasing dimension). We show that the Euclidean PCA minimizes the Accumulated Unexplained Variances by all the subspaces of the flag (AUV). Barycentric subspaces are naturally nested, allowing the construction of hierarchically nested subspaces. Optimizing the AUV criterion to optimally approximate data points with flags of affine spans in Riemannian manifolds lead to a particularly appealing generalization of PCA on manifolds called Barycentric Subspaces Analysis (BSA).

When dealing with electro or magnetoencephalography records, many supervised prediction tasks are solved by working with covariance matrices to summarize the signals. Learning with these matrices requires using Riemanian geometry to account for their structure. In this paper, we propose a new method to deal with distributions of covariance matrices and demonstrate its computational efficiency on M/EEG multivariate time series. More specifically, we define a Sliced-Wasserstein distance between measures of symmetric positive definite matrices that comes with strong theoretical guarantees. Then, we take advantage of its properties and kernel methods to apply this distance to brain-age prediction from MEG data and compare it to state-of-the-art algorithms based on Riemannian geometry. Finally, we show that it is an efficient surrogate to the Wasserstein distance in domain adaptation for Brain Computer Interface applications.

Self-supervised learning (SSL) has emerged as a powerful paradigm for learning representations without labeled data, often by enforcing invariance to input transformations such as rotations or blurring. Recent studies have highlighted two pivotal properties for effective representations: (i) avoiding dimensional collapse-where the learned features occupy only a low-dimensional subspace, and (ii) enhancing uniformity of the induced distribution. In this work, we introduce T-REGS, a simple regularization framework for SSL based on the length of the Minimum Spanning Tree (MST) over the learned representation. We provide theoretical analysis demonstrating that T-REGS simultaneously mitigates dimensional collapse and promotes distribution uniformity on arbitrary compact Riemannian manifolds. Several experiments on synthetic data and on classical SSL benchmarks validate the effectiveness of our approach at enhancing representation quality.

We introduce Geometric Neural Operators (GNPs) for accounting for geometric contributions in data-driven deep learning of operators. We show how GNPs can be used (i) to estimate geometric properties, such as the metric and curvatures, (ii) to approximate Partial Differential Equations (PDEs) on manifolds, (iii) learn solution maps for Laplace-Beltrami (LB) operators, and (iv) to solve Bayesian inverse problems for identifying manifold shapes. The methods allow for handling geometries of general shape including point-cloud representations. The developed GNPs provide approaches for incorporating the roles of geometry in data-driven learning of operators.

In the past, normalizing generative flows have emerged as a promising class of generative models for natural images. This type of model has many modeling advantages: the ability to efficiently compute log-likelihood of the input data, fast generation and simple overall structure. Normalizing flows remained a topic of active research but later fell out of favor, as visual quality of the samples was not competitive with other model classes, such as GANs, VQ-VAE-based approaches or diffusion models. In this paper we revisit the design of the coupling-based normalizing flow models by carefully ablating prior design choices and using computational blocks based on the Vision Transformer architecture, not convolutional neural networks. As a result, we achieve state-of-the-art quantitative and qualitative performance with a much simpler architecture. While the overall visual quality is still behind the current state-of-the-art models, we argue that strong normalizing flow models can help advancing research frontier by serving as building components of more powerful generative models.

In this article, we introduce a novel normalization technique for neural network weight matrices, which we term weight conditioning. This approach aims to narrow the gap between the smallest and largest singular values of the weight matrices, resulting in better-conditioned matrices. The inspiration for this technique partially derives from numerical linear algebra, where well-conditioned matrices are known to facilitate stronger convergence results for iterative solvers. We provide a theoretical foundation demonstrating that our normalization technique smoothens the loss landscape, thereby enhancing convergence of stochastic gradient descent algorithms. Empirically, we validate our normalization across various neural network architectures, including Convolutional Neural Networks (CNNs), Vision Transformers (ViT), Neural Radiance Fields (NeRF), and 3D shape modeling. Our findings indicate that our normalization method is not only competitive but also outperforms existing weight normalization techniques from the literature.

Diffusion-based models decompose sampling into many small Gaussian denoising steps -- an assumption that breaks down when generation is compressed to a few coarse transitions. Existing few-step methods address this through distillation, consistency training, or adversarial objectives, but sacrifice the likelihood framework in the process. We introduce Normalizing Trajectory Models (NTM), which models each reverse step as an expressive conditional normalizing flow with exact likelihood training. Architecturally, NTM combines shallow invertible blocks within each step with a deep parallel predictor across the trajectory, forming an end-to-end network trainable from scratch or initializable from pretrained flow-matching models. Its exact trajectory likelihood further enables self-distillation: a lightweight denoiser trained on the model's own score produces high-quality samples in four steps. On text-to-image benchmarks, NTM matches or outperforms strong image generation baselines in just four sampling steps while uniquely retaining exact likelihood over the generative trajectory.

Continual learning entails learning a sequence of tasks and balancing their knowledge appropriately. With limited access to old training samples, much of the current work in deep neural networks has focused on overcoming catastrophic forgetting of old tasks in gradient-based optimization. However, the normalization layers provide an exception, as they are updated interdependently by the gradient and statistics of currently observed training samples, which require specialized strategies to mitigate recency bias. In this work, we focus on the most popular Batch Normalization (BN) and provide an in-depth theoretical analysis of its sub-optimality in continual learning. Our analysis demonstrates the dilemma between balance and adaptation of BN statistics for incremental tasks, which potentially affects training stability and generalization. Targeting on these particular challenges, we propose Adaptive Balance of BN (AdaB^2N), which incorporates appropriately a Bayesian-based strategy to adapt task-wise contributions and a modified momentum to balance BN statistics, corresponding to the training and testing stages. By implementing BN in a continual learning fashion, our approach achieves significant performance gains across a wide range of benchmarks, particularly for the challenging yet realistic online scenarios (e.g., up to 7.68%, 6.86% and 4.26% on Split CIFAR-10, Split CIFAR-100 and Split Mini-ImageNet, respectively). Our code is available at https://github.com/lvyilin/AdaB2N.

We consider the problem of simultaneously clustering and learning a linear representation of data lying close to a union of low-dimensional manifolds, a fundamental task in machine learning and computer vision. When the manifolds are assumed to be linear subspaces, this reduces to the classical problem of subspace clustering, which has been studied extensively over the past two decades. Unfortunately, many real-world datasets such as natural images can not be well approximated by linear subspaces. On the other hand, numerous works have attempted to learn an appropriate transformation of the data, such that data is mapped from a union of general non-linear manifolds to a union of linear subspaces (with points from the same manifold being mapped to the same subspace). However, many existing works have limitations such as assuming knowledge of the membership of samples to clusters, requiring high sampling density, or being shown theoretically to learn trivial representations. In this paper, we propose to optimize the Maximal Coding Rate Reduction metric with respect to both the data representation and a novel doubly stochastic cluster membership, inspired by state-of-the-art subspace clustering results. We give a parameterization of such a representation and membership, allowing efficient mini-batching and one-shot initialization. Experiments on CIFAR-10, -20, -100, and TinyImageNet-200 datasets show that the proposed method is much more accurate and scalable than state-of-the-art deep clustering methods, and further learns a latent linear representation of the data.

In this paper, we establish a connection between the parameterization of flow-based and energy-based generative models, and present a new flow-based modeling approach called energy-based normalizing flow (EBFlow). We demonstrate that by optimizing EBFlow with score-matching objectives, the computation of Jacobian determinants for linear transformations can be entirely bypassed. This feature enables the use of arbitrary linear layers in the construction of flow-based models without increasing the computational time complexity of each training iteration from O(D^2L) to O(D^3L) for an L-layered model that accepts D-dimensional inputs. This makes the training of EBFlow more efficient than the commonly-adopted maximum likelihood training method. In addition to the reduction in runtime, we enhance the training stability and empirical performance of EBFlow through a number of techniques developed based on our analysis of the score-matching methods. The experimental results demonstrate that our approach achieves a significant speedup compared to maximum likelihood estimation while outperforming prior methods with a noticeable margin in terms of negative log-likelihood (NLL).

Rapid growth of high-dimensional datasets in fields such as single-cell RNA sequencing and spatial genomics has led to unprecedented opportunities for scientific discovery, but it also presents unique computational and statistical challenges. Traditional methods struggle with geometry-aware data generation, interpolation along meaningful trajectories, and transporting populations via feasible paths. To address these issues, we introduce Geometry-Aware Generative Autoencoder (GAGA), a novel framework that combines extensible manifold learning with generative modeling. GAGA constructs a neural network embedding space that respects the intrinsic geometries discovered by manifold learning and learns a novel warped Riemannian metric on the data space. This warped metric is derived from both the points on the data manifold and negative samples off the manifold, allowing it to characterize a meaningful geometry across the entire latent space. Using this metric, GAGA can uniformly sample points on the manifold, generate points along geodesics, and interpolate between populations across the learned manifold using geodesic-guided flows. GAGA shows competitive performance in simulated and real-world datasets, including a 30% improvement over the state-of-the-art methods in single-cell population-level trajectory inference.

We introduce a new paradigm for generative modeling built on Continuous Normalizing Flows (CNFs), allowing us to train CNFs at unprecedented scale. Specifically, we present the notion of Flow Matching (FM), a simulation-free approach for training CNFs based on regressing vector fields of fixed conditional probability paths. Flow Matching is compatible with a general family of Gaussian probability paths for transforming between noise and data samples -- which subsumes existing diffusion paths as specific instances. Interestingly, we find that employing FM with diffusion paths results in a more robust and stable alternative for training diffusion models. Furthermore, Flow Matching opens the door to training CNFs with other, non-diffusion probability paths. An instance of particular interest is using Optimal Transport (OT) displacement interpolation to define the conditional probability paths. These paths are more efficient than diffusion paths, provide faster training and sampling, and result in better generalization. Training CNFs using Flow Matching on ImageNet leads to consistently better performance than alternative diffusion-based methods in terms of both likelihood and sample quality, and allows fast and reliable sample generation using off-the-shelf numerical ODE solvers.

Scalable approaches to learning neural dynamical systems have placed diffusion, flow matching, and few-step generators in flow maps at the forefront of generative modeling. Such state-of-the-art models have limited access to explicit model densities despite evolving from classical generative modeling approaches that leveraged tractable likelihoods, e.g., Normalizing Flows and Autoregressive models. In this paper, we combine these threads of few-step generation and tractable sample likelihoods and introduce Normalizing Flow Maps (NFM), a class of exactly invertible pushforward maps that generalizes normalizing flows and flow maps. More precisely, NFMs learn the integrator of an underlying dynamical system, but crucially, they provide efficient exact likelihood evaluation by construction. To enable scalable training of NFMs, we derive two complementary axes of consistency inherent to NFMs that yield (self) distillation objectives: (1) pointwise matching, which unlocks ell_2-based flow-map style regression losses, and (2) distributional matching, which matches pushforward distributions to the marginals of a prescribed forward process. On conditional image generation on CIFAR-10 and ImageNet-64, NFMs achieve state-of-the-art sample quality among parameter-matched normalizing flows, while supporting likelihood-based RLHF. For equilibrium sampling in Boltzmann Generators, NFMs outperform prior state-of-the-art normalizing flows on both single-system and transferable peptide benchmarks.

Normalizing flows are powerful non-parametric statistical models that function as a hybrid between density estimators and generative models. Current learning algorithms for normalizing flows assume that data points are sampled independently, an assumption that is frequently violated in practice, which may lead to erroneous density estimation and data generation. We propose a likelihood objective of normalizing flows incorporating dependencies between the data points, for which we derive a flexible and efficient learning algorithm suitable for different dependency structures. We show that respecting dependencies between observations can improve empirical results on both synthetic and real-world data, and leads to higher statistical power in a downstream application to genome-wide association studies.

This paper studies generalization capabilities of neural networks (NNs) using new and improved PyTorch library Loss Landscape Analysis (LLA). LLA facilitates visualization and analysis of loss landscapes along with the properties of NN Hessian. Different approaches to NN loss landscape plotting are discussed with particular focus on normalization techniques showing that conventional methods cannot always ensure correct visualization when batch normalization layers are present in NN architecture. The use of Hessian axes is shown to be able to mitigate this effect, and methods for choosing Hessian axes are proposed. In addition, spectra of Hessian eigendecomposition are studied and it is shown that typical spectra exist for a wide range of NNs. This allows to propose quantitative criteria for Hessian analysis that can be applied to evaluate NN performance and assess its generalization capabilities. Generalization experiments are conducted using ImageNet-1K pre-trained models along with several models trained as part of this study. The experiment include training models on one dataset and testing on another one to maximize experiment similarity to model performance in the Wild. It is shown that when datasets change, the changes in criteria correlate with the changes in accuracy, making the proposed criteria a computationally efficient estimate of generalization ability, which is especially useful for extremely large datasets.

Several recent trends in machine learning theory and practice, from the design of state-of-the-art Gaussian Process to the convergence analysis of deep neural nets (DNNs) under stochastic gradient descent (SGD), have found it fruitful to study wide random neural networks. Central to these approaches are certain scaling limits of such networks. We unify these results by introducing a notion of a straightline tensor program that can express most neural network computations, and we characterize its scaling limit when its tensors are large and randomized. From our framework follows (1) the convergence of random neural networks to Gaussian processes for architectures such as recurrent neural networks, convolutional neural networks, residual networks, attention, and any combination thereof, with or without batch normalization; (2) conditions under which the gradient independence assumption -- that weights in backpropagation can be assumed to be independent from weights in the forward pass -- leads to correct computation of gradient dynamics, and corrections when it does not; (3) the convergence of the Neural Tangent Kernel, a recently proposed kernel used to predict training dynamics of neural networks under gradient descent, at initialization for all architectures in (1) without batch normalization. Mathematically, our framework is general enough to rederive classical random matrix results such as the semicircle and the Marchenko-Pastur laws, as well as recent results in neural network Jacobian singular values. We hope our work opens a way toward design of even stronger Gaussian Processes, initialization schemes to avoid gradient explosion/vanishing, and deeper understanding of SGD dynamics in modern architectures.

We present a simple and effective way to estimate the batch-norm statistics during test time, to fast adapt a source model to target test samples. Known as Test-Time Adaptation, most prior works studying this task follow two assumptions in their evaluation where (1) test samples come together as a large batch, and (2) all from a single test distribution. However, in practice, these two assumptions may not stand, the reasons for which we propose two new evaluation settings where batch sizes are arbitrary and multiple distributions are considered. Unlike the previous methods that require a large batch of single distribution during test time to calculate stable batch-norm statistics, our method avoid any dependency on large online batches and is able to estimate accurate batch-norm statistics with a single sample. The proposed method significantly outperforms the State-Of-The-Art in the newly proposed settings in Test-Time Adaptation Task, and also demonstrates improvements in various other settings such as Source-Free Unsupervised Domain Adaptation and Zero-Shot Classification.

Adversarial training (AT) defends deep neural networks against adversarial attacks. One challenge that limits its practical application is the performance degradation on clean samples. A major bottleneck identified by previous works is the widely used batch normalization (BN), which struggles to model the different statistics of clean and adversarial training samples in AT. Although the dominant approach is to extend BN to capture this mixture of distribution, we propose to completely eliminate this bottleneck by removing all BN layers in AT. Our normalizer-free robust training (NoFrost) method extends recent advances in normalizer-free networks to AT for its unexplored advantage on handling the mixture distribution challenge. We show that NoFrost achieves adversarial robustness with only a minor sacrifice on clean sample accuracy. On ImageNet with ResNet50, NoFrost achieves 74.06% clean accuracy, which drops merely 2.00% from standard training. In contrast, BN-based AT obtains 59.28% clean accuracy, suffering a significant 16.78% drop from standard training. In addition, NoFrost achieves a 23.56% adversarial robustness against PGD attack, which improves the 13.57% robustness in BN-based AT. We observe better model smoothness and larger decision margins from NoFrost, which make the models less sensitive to input perturbations and thus more robust. Moreover, when incorporating more data augmentations into NoFrost, it achieves comprehensive robustness against multiple distribution shifts. Code and pre-trained models are public at https://github.com/amazon-research/normalizer-free-robust-training.

Objective: Electroencephalography signals are recorded as a multidimensional dataset. We propose a new framework based on the augmented covariance extracted from an autoregressive model to improve motor imagery classification. Methods: From the autoregressive model can be derived the Yule-Walker equations, which show the emergence of a symmetric positive definite matrix: the augmented covariance matrix. The state-of the art for classifying covariance matrices is based on Riemannian Geometry. A fairly natural idea is therefore to extend the standard approach using these augmented covariance matrices. The methodology for creating the augmented covariance matrix shows a natural connection with the delay embedding theorem proposed by Takens for dynamical systems. Such an embedding method is based on the knowledge of two parameters: the delay and the embedding dimension, respectively related to the lag and the order of the autoregressive model. This approach provides new methods to compute the hyper-parameters in addition to standard grid search. Results: The augmented covariance matrix performed noticeably better than any state-of-the-art methods. We will test our approach on several datasets and several subjects using the MOABB framework, using both within-session and cross-session evaluation. Conclusion: The improvement in results is due to the fact that the augmented covariance matrix incorporates not only spatial but also temporal information, incorporating nonlinear components of the signal through an embedding procedure, which allows the leveraging of dynamical systems algorithms. Significance: These results extend the concepts and the results of the Riemannian distance based classification algorithm.

Normalizing flows (NF) are a class of powerful generative models that have gained popularity in recent years due to their ability to model complex distributions with high flexibility and expressiveness. In this work, we introduce a new type of normalizing flow that is tailored for modeling positions and orientations of multiple objects in three-dimensional space, such as molecules in a crystal. Our approach is based on two key ideas: first, we define smooth and expressive flows on the group of unit quaternions, which allows us to capture the continuous rotational motion of rigid bodies; second, we use the double cover property of unit quaternions to define a proper density on the rotation group. This ensures that our model can be trained using standard likelihood-based methods or variational inference with respect to a thermodynamic target density. We evaluate the method by training Boltzmann generators for two molecular examples, namely the multi-modal density of a tetrahedral system in an external field and the ice XI phase in the TIP4P water model. Our flows can be combined with flows operating on the internal degrees of freedom of molecules and constitute an important step towards the modeling of distributions of many interacting molecules.

Geometric foundation models, such as the Visual Geometry Grounded Transformer (VGGT), provide strong 3D priors from unposed images. However, such models operate purely in a feed-forward, deterministic regime, \ie~they cannot generate plausible geometry beyond what the input views directly support. Generative models for 3D scenes, on the other hand, must rely on strong geometric priors to produce coherent outputs from sparse inputs. We bridge these two paradigms by performing flow matching directly in VGGT's latent space, leveraging its learned 3D priors without committing to any explicit downstream representation such as Gaussians, meshes, or video-VAE latents. This requires respecting the latent geometry: VGGT tokens occupy a product of high-dimensional hyperspheres on which standard Euclidean flow matching fails. We address this with a Riemannian Flow Matching framework defined on a product manifold of four hyperspheres, aligned with VGGT's multi-scale encoder, which keeps generated tokens on the valid data manifold required by the frozen decoding heads. On RealEstate10K, ScanNet++ and ETH3D, our method achieves strong performance against recent scene generation baselines in both per-view appearance and aggregated 3D geometry, establishing latent-space flow matching on geometric foundation models as a viable paradigm for 3D generation. The project page can be found https://lisaweijler.github.io/geometry-grounded-rfm/{here}.

State-of-the-art flow models generate stunning images from text or image prompts. However, they suffer from diversity collapse when generating multiple samples under the same conditioning. Existing methods address this issue via either latent guidance, which has limited effectiveness, or sample selection, which relies on external reward models that incur significant inference-time overhead. In this work, we introduce an efficient, training-free self-guidance mechanism to mitigate diversity collapse without requiring additional reward models. Specifically, we disperse the internal features of the flow model during batch generation with feature self-guidance. Further, to keep the features close to the manifold, we introduce a manifold regularization step that projects these dispersed features back onto the data manifold, ensuring diverse generation without sacrificing alignment with the input conditions. Our method integrates seamlessly as a plug-and-play module into pretrained flow models, adding only a marginal inference cost. Experiments demonstrate significant improvements in diversity while preserving fidelity across several conditional flow models, including multi-step and few-step text-to-image, depth-to-image, and reference image generation.

Batch Whitening is a technique that accelerates and stabilizes training by transforming input features to have a zero mean (Centering) and a unit variance (Scaling), and by removing linear correlation between channels (Decorrelation). In commonly used structures, which are empirically optimized with Batch Normalization, the normalization layer appears between convolution and activation function. Following Batch Whitening studies have employed the same structure without further analysis; even Batch Whitening was analyzed on the premise that the input of a linear layer is whitened. To bridge the gap, we propose a new Convolutional Unit that is in line with the theory, and our method generally improves the performance of Batch Whitening. Moreover, we show the inefficacy of the original Convolutional Unit by investigating rank and correlation of features. As our method is employable off-the-shelf whitening modules, we use Iterative Normalization (IterNorm), the state-of-the-art whitening module, and obtain significantly improved performance on five image classification datasets: CIFAR-10, CIFAR-100, CUB-200-2011, Stanford Dogs, and ImageNet. Notably, we verify that our method improves stability and performance of whitening when using large learning rate, group size, and iteration number.

We tackle the problem of sampling from intractable high-dimensional density functions, a fundamental task that often appears in machine learning and statistics. We extend recent sampling-based approaches that leverage controlled stochastic processes to model approximate samples from these target densities. The main drawback of these approaches is that the training objective requires full trajectories to compute, resulting in sluggish credit assignment issues due to use of entire trajectories and a learning signal present only at the terminal time. In this work, we present Diffusion Generative Flow Samplers (DGFS), a sampling-based framework where the learning process can be tractably broken down into short partial trajectory segments, via parameterizing an additional "flow function". Our method takes inspiration from the theory developed for generative flow networks (GFlowNets), allowing us to make use of intermediate learning signals. Through various challenging experiments, we demonstrate that DGFS achieves more accurate estimates of the normalization constant than closely-related prior methods.

We uncover how SGD interacts with batch normalization and can exhibit undesirable training dynamics such as divergence. More precisely, we study how Single Shuffle (SS) and Random Reshuffle (RR) -- two widely used variants of SGD -- interact surprisingly differently in the presence of batch normalization: RR leads to much more stable evolution of training loss than SS. As a concrete example, for regression using a linear network with batch normalization, we prove that SS and RR converge to distinct global optima that are "distorted" away from gradient descent. Thereafter, for classification we characterize conditions under which training divergence for SS and RR can, and cannot occur. We present explicit constructions to show how SS leads to distorted optima in regression and divergence for classification, whereas RR avoids both distortion and divergence. We validate our results by confirming them empirically in realistic settings, and conclude that the separation between SS and RR used with batch normalization is relevant in practice.

Dimensionality reduction is a fundamental task that aims to simplify complex data by reducing its feature dimensionality while preserving essential patterns, with core applications in data analysis and visualisation. To preserve the underlying data structure, multi-dimensional scaling (MDS) methods focus on preserving pairwise dissimilarities, such as distances. They optimise the embedding to have pairwise distances as close as possible to the data dissimilarities. However, the current standard is limited to embedding data in Riemannian manifolds. Motivated by the lack of asymmetry in the Riemannian metric of the embedding space, this paper extends the MDS problem to a natural asymmetric generalisation of Riemannian manifolds called Finsler manifolds. Inspired by Euclidean space, we define a canonical Finsler space for embedding asymmetric data. Due to its simplicity with respect to geodesics, data representation in this space is both intuitive and simple to analyse. We demonstrate that our generalisation benefits from the same theoretical convergence guarantees. We reveal the effectiveness of our Finsler embedding across various types of non-symmetric data, highlighting its value in applications such as data visualisation, dimensionality reduction, directed graph embedding, and link prediction.

Model merging offers a promising avenue for knowledge integration and parallel development without retraining. Yet, existing methods either ignore the geometry of the loss landscape or rely on intractable full-space Hessian approximations. We propose EpiMer, a framework that casts model merging as solving the Fréchet mean on a Riemannian manifold and restricts the computation to a low-rank subspace spanned by the task vectors. With the expected Hessian as the metric, we reveal a connection between local curvature and epistemic uncertainty of the parameters. Our theoretical analysis decomposes the merging error bound into the subspace Fréchet variance and the residual energy, and provides a closed-form characterization of when curvature-aware merging provably outperforms flat-geometry methods. In addition, our framework unifies both curvature-aware methods and recent spectral methods as special cases of the subspace Fréchet mean with different geometric metrics. Merging fine-tuned CLIP-ViT models on eight image classification tasks, Epistemic Merging strictly outperforms the baselines on all three CLIP-ViT backbones at matched rank, improving the across-task average accuracy and worst-task accuracy on every backbone.

We introduce PyTorch Geometric, a library for deep learning on irregularly structured input data such as graphs, point clouds and manifolds, built upon PyTorch. In addition to general graph data structures and processing methods, it contains a variety of recently published methods from the domains of relational learning and 3D data processing. PyTorch Geometric achieves high data throughput by leveraging sparse GPU acceleration, by providing dedicated CUDA kernels and by introducing efficient mini-batch handling for input examples of different size. In this work, we present the library in detail and perform a comprehensive comparative study of the implemented methods in homogeneous evaluation scenarios.

Representation learning has become an invaluable approach for learning from symbolic data such as text and graphs. However, while complex symbolic datasets often exhibit a latent hierarchical structure, state-of-the-art methods typically learn embeddings in Euclidean vector spaces, which do not account for this property. For this purpose, we introduce a new approach for learning hierarchical representations of symbolic data by embedding them into hyperbolic space -- or more precisely into an n-dimensional Poincar\'e ball. Due to the underlying hyperbolic geometry, this allows us to learn parsimonious representations of symbolic data by simultaneously capturing hierarchy and similarity. We introduce an efficient algorithm to learn the embeddings based on Riemannian optimization and show experimentally that Poincar\'e embeddings outperform Euclidean embeddings significantly on data with latent hierarchies, both in terms of representation capacity and in terms of generalization ability.

We present Manifold Diffusion Fields (MDF), an approach to learn generative models of continuous functions defined over Riemannian manifolds. Leveraging insights from spectral geometry analysis, we define an intrinsic coordinate system on the manifold via the eigen-functions of the Laplace-Beltrami Operator. MDF represents functions using an explicit parametrization formed by a set of multiple input-output pairs. Our approach allows to sample continuous functions on manifolds and is invariant with respect to rigid and isometric transformations of the manifold. Empirical results on several datasets and manifolds show that MDF can capture distributions of such functions with better diversity and fidelity than previous approaches.

Recent advances in generative models highlight the power of geometry-aware modeling in manifold-constrained settings. Yet, for natural images, the field remains confined to Euclidean assumptions, failing to exploit the potential of intrinsic geometric structures within the data. In this work, we investigate the geometry of natural images and observe that semantic information is predominantly encoded in directional components, while norm components can be approximated by the global average. This property holds across both RGB and latent spaces, suggesting that natural images can be effectively modeled on a hypersphere. Building on this finding, we introduce Spherical Optimal Transport Flow Matching (SOT-CFM), which utilizes angular distance, and Spherical Flow Matching (SFM), which constrains dynamics directly on the manifold. Our experiments demonstrate that these geometry-aware methods achieve superior performance against Euclidean baselines. Ultimately, this work provides a novel perspective that bridges the gap between Riemannian manifold-based modeling and natural image generation.

Merging finetuned Large Language Models (LLMs) has become increasingly important for integrating diverse capabilities into a single unified model. However, prevailing model merging methods rely on linear arithmetic in Euclidean space, which often destroys the intrinsic geometric properties of pretrained weights, such as hyperspherical energy. To address this, we propose Orthogonal Model Merging (OrthoMerge), a method that performs merging operations on the Riemannian manifold formed by the orthogonal group to preserve the geometric structure of the model's weights. By mapping task-specific orthogonal matrices learned by Orthogonal Finetuning (OFT) to the Lie algebra, OrthoMerge enables a principled yet efficient integration that takes into account both the direction and intensity of adaptations. In addition to directly leveraging orthogonal matrices obtained by OFT, we further extend this approach to general models finetuned with non-OFT methods (i.e., low-rank finetuning, full finetuning) via an Orthogonal-Residual Decoupling strategy. This technique extracts the orthogonal components of expert models by solving the orthogonal Procrustes problem, which are then merged on the manifold of the orthogonal group, while the remaining linear residuals are processed through standard additive merging. Extensive empirical results demonstrate the effectiveness of OrthoMerge in mitigating catastrophic forgetting and maintaining model performance across diverse tasks.

Batch normalization (BN) is an effective method to accelerate model training and improve the generalization performance of neural networks. In this paper, we propose an improved batch normalization technique called attentive batch normalization (ABN) in Long Short Term Memory (LSTM) based acoustic modeling for automatic speech recognition (ASR). In the proposed method, an auxiliary network is used to dynamically generate the scaling and shifting parameters in batch normalization, and attention mechanisms are introduced to improve their regularized performance. Furthermore, two schemes, frame-level and utterance-level ABN, are investigated. We evaluate our proposed methods on Mandarin and Uyghur ASR tasks, respectively. The experimental results show that the proposed ABN greatly improves the performance of batch normalization in terms of transcription accuracy for both languages.

In this paper we demonstrate how sub-Riemannian geometry can be used for manifold learning and surface reconstruction by combining local linear approximations of a point cloud to obtain lower dimensional bundles. Local approximations obtained by local PCAs are collected into a rank k tangent subbundle on R^d, k<d, which we call a principal subbundle. This determines a sub-Riemannian metric on R^d. We show that sub-Riemannian geodesics with respect to this metric can successfully be applied to a number of important problems, such as: explicit construction of an approximating submanifold M, construction of a representation of the point-cloud in R^k, and computation of distances between observations, taking the learned geometry into account. The reconstruction is guaranteed to equal the true submanifold in the limit case where tangent spaces are estimated exactly. Via simulations, we show that the framework is robust when applied to noisy data. Furthermore, the framework generalizes to observations on an a priori known Riemannian manifold.

We address the problem of performing backpropagation for computation graphs involving 3D transformation groups SO(3), SE(3), and Sim(3). 3D transformation groups are widely used in 3D vision and robotics, but they do not form vector spaces and instead lie on smooth manifolds. The standard backpropagation approach, which embeds 3D transformations in Euclidean spaces, suffers from numerical difficulties. We introduce a new library, which exploits the group structure of 3D transformations and performs backpropagation in the tangent spaces of manifolds. We show that our approach is numerically more stable, easier to implement, and beneficial to a diverse set of tasks. Our plug-and-play PyTorch library is available at https://github.com/princeton-vl/lietorch.

Recently the LARS and LAMB optimizers have been proposed for training neural networks faster using large batch sizes. LARS and LAMB add layer-wise normalization to the update rules of Heavy-ball momentum and Adam, respectively, and have become popular in prominent benchmarks and deep learning libraries. However, without fair comparisons to standard optimizers, it remains an open question whether LARS and LAMB have any benefit over traditional, generic algorithms. In this work we demonstrate that standard optimization algorithms such as Nesterov momentum and Adam can match or exceed the results of LARS and LAMB at large batch sizes. Our results establish new, stronger baselines for future comparisons at these batch sizes and shed light on the difficulties of comparing optimizers for neural network training more generally.

Supervised contrastive loss (SCL) is a competitive and often superior alternative to the cross-entropy loss for classification. While prior studies have demonstrated that both losses yield symmetric training representations under balanced data, this symmetry breaks under class imbalances. This paper presents an intriguing discovery: the introduction of a ReLU activation at the final layer effectively restores the symmetry in SCL-learned representations. We arrive at this finding analytically, by establishing that the global minimizers of an unconstrained features model with SCL loss and entry-wise non-negativity constraints form an orthogonal frame. Extensive experiments conducted across various datasets, architectures, and imbalance scenarios corroborate our finding. Importantly, our experiments reveal that the inclusion of the ReLU activation restores symmetry without compromising test accuracy. This constitutes the first geometry characterization of SCL under imbalances. Additionally, our analysis and experiments underscore the pivotal role of batch selection strategies in representation geometry. By proving necessary and sufficient conditions for mini-batch choices that ensure invariant symmetric representations, we introduce batch-binding as an efficient strategy that guarantees these conditions hold.

Despite recent progress in optimal hyperparameter transfer under model and dataset scaling, no unifying explanatory principle has been established. Using the Scion optimizer, we discover that joint optimal scaling across model and dataset sizes is governed by a single invariant: the operator norm of the output layer. Across models with up to 1.3B parameters trained on up to 138B tokens, the optimal learning rate/batch size pair (eta^{ast}, B^{ast}) consistently has the same operator norm value - a phenomenon we term norm transfer. This constant norm condition is necessary but not sufficient: while for each dataset size, multiple (eta, B) reach the optimal norm, only a unique (eta^{ast}, B^{ast}) achieves the best loss. As a sufficient condition, we provide the first measurement of (eta^{ast}, B^{ast}) scaling with dataset size for Scion, and find that the scaling rules are consistent with those of the Adam optimizer. Tuning per-layer-group learning rates also improves model performance, with the output layer being the most sensitive and hidden layers benefiting from lower learning rates. We provide practical insights on norm-guided optimal scaling and release our Distributed Scion (Disco) implementation with logs from over two thousand runs to support research on LLM training dynamics at scale.

Real-world visual data exhibit intrinsic hierarchical structures that can be represented effectively in hyperbolic spaces. Hyperbolic neural networks (HNNs) are a promising approach for learning feature representations in such spaces. However, current HNNs in computer vision rely on Euclidean backbones and only project features to the hyperbolic space in the task heads, limiting their ability to fully leverage the benefits of hyperbolic geometry. To address this, we present HCNN, a fully hyperbolic convolutional neural network (CNN) designed for computer vision tasks. Based on the Lorentz model, we generalize fundamental components of CNNs and propose novel formulations of the convolutional layer, batch normalization, and multinomial logistic regression. {Experiments on standard vision tasks demonstrate the promising performance of our HCNN framework in both hybrid and fully hyperbolic settings.} Overall, we believe our contributions provide a foundation for developing more powerful HNNs that can better represent complex structures found in image data. Our code is publicly available at https://github.com/kschwethelm/HyperbolicCV.

Batch Normalization is a commonly used trick to improve the training of deep neural networks. These neural networks use L2 regularization, also called weight decay, ostensibly to prevent overfitting. However, we show that L2 regularization has no regularizing effect when combined with normalization. Instead, regularization has an influence on the scale of weights, and thereby on the effective learning rate. We investigate this dependence, both in theory, and experimentally. We show that popular optimization methods such as ADAM only partially eliminate the influence of normalization on the learning rate. This leads to a discussion on other ways to mitigate this issue.

Normalizing flows (NFs) provide exact likelihoods and deterministic invertible sampling, but have historically lagged behind diffusion models for large-scale image generation. We identify a key obstacle: NFs are required to learn a single invertible transport over the full ambient space, making them highly sensitive to high-dimensional representations. This leads to a semantic-capacity mismatch in modern visual representation spaces, where semantic information is compact but encoded in overcomplete features. We propose SRC-Flow, which introduces a Semantic Representation Compressor (SRC) to compact high-dimensional RAE features into a low-dimensional semantic space before flow modeling and preserve reconstruction through the frozen RAE decoder. This compact space reduces the modeling burden of NFs and enables effective likelihood-based generation in semantic representation space. We further adopt constant noise regularization tailored to the fixed unconditional bijection learned by flows. On ImageNet 256 times 256 and 512 times 512, SRC-Flow achieves state-of-the-art generation quality among normalizing flow methods, with gFID scores of 1.65 and 2.07 under classifier-free guidance, while retaining exact likelihood computation in the compact semantic representation space and deterministic invertible sampling at the flow level. Codes and models will be available at https://github.com/longtaojiang/SRC-Flow.

In this work, we revisit Transformer optimization through the lens of second-order geometry and establish a direct connection between architectural design, activation scale, the Hessian matrix, and the maximum tolerable learning rate. We introduce a simple normalization strategy, termed SimpleNorm, which stabilizes intermediate activation scales by construction. Then, by analyzing the Hessian of the loss with respect to network activations, we theoretically show that SimpleNorm significantly reduces the spectral norm of the Hessian, thereby permitting larger stable learning rates. We validate our theoretical findings through extensive experiments on large GPT models at parameter scales 1B, 1.4B, 7B and 8B. Empirically, SimpleGPT, our SimpleNorm-based network, tolerates learning rates 3times-10times larger than standard convention, consistently demonstrates strong optimization stability, and achieves substantially better performance than well-established baselines. Specifically, when training 7B-scale models for 60K steps, SimpleGPT achieves a training loss that is 0.08 lower than that of LLaMA2 with QKNorm, reducing the loss from 2.290 to 2.208. Our source code will be released at https://github.com/Ocram7/SimpleGPT.

We consider a deep matrix factorization model of covariance matrices trained with the Bures-Wasserstein distance. While recent works have made important advances in the study of the optimization problem for overparametrized low-rank matrix approximation, much emphasis has been placed on discriminative settings and the square loss. In contrast, our model considers another interesting type of loss and connects with the generative setting. We characterize the critical points and minimizers of the Bures-Wasserstein distance over the space of rank-bounded matrices. For low-rank matrices the Hessian of this loss can theoretically blow up, which creates challenges to analyze convergence of optimizaton methods. We establish convergence results for gradient flow using a smooth perturbative version of the loss and convergence results for finite step size gradient descent under certain assumptions on the initial weights.

The computing cost and memory demand of deep learning pipelines have grown fast in recent years and thus a variety of pruning techniques have been developed to reduce model parameters. The majority of these techniques focus on reducing inference costs by pruning the network after a pass of full training. A smaller number of methods address the reduction of training costs, mostly based on compressing the network via low-rank layer factorizations. Despite their efficiency for linear layers, these methods fail to effectively handle convolutional filters. In this work, we propose a low-parametric training method that factorizes the convolutions into tensor Tucker format and adaptively prunes the Tucker ranks of the convolutional kernel during training. Leveraging fundamental results from geometric integration theory of differential equations on tensor manifolds, we obtain a robust training algorithm that provably approximates the full baseline performance and guarantees loss descent. A variety of experiments against the full model and alternative low-rank baselines are implemented, showing that the proposed method drastically reduces the training costs, while achieving high performance, comparable to or better than the full baseline, and consistently outperforms competing low-rank approaches.

Linear attention reduces the quadratic cost of softmax attention to O(T), but its memory state grows as O(T) in Frobenius norm, causing progressive interference between stored associations. We introduce Variational Linear Attention (VLA), which reframes the memory update as an online regularised least-squares problem with an adaptive penalty matrix maintained via the Sherman-Morrison rank-1 formula. We prove that normalising the write direction to unit length gives the recurrence Jacobian spectral norm exactly 1 for all sequence lengths and head dimensions (Proposition 2), and that the state norm is self-limiting under bounded inputs (Proposition 1). Empirically, VLA reduces |S_t|_F by 109times relative to standard linear attention at T{=}1{,}000, achieves near-perfect exact-match accuracy on multi-query associative recall within the effective per-head memory regime (n_pairs < d_h), maintaining substantially higher retrieval performance than DeltaNet and standard linear attention under increasing memory load, and maintains 62\% accuracy at the per-head capacity boundary. A Triton-fused kernel achieves 14times speedup over sequential Python and O(T) scaling, crossing below softmax attention latency at approximately 43\,000 tokens.

While large language models (LLMs) have emerged as a significant advancement in artificial intelligence, the hardware and computational costs for training LLMs are also significantly burdensome. Among the state-of-the-art optimizers, AdamW relies on diagonal curvature estimates and ignores structural properties, while Muon applies global spectral normalization at the expense of losing curvature information. In this study, we restriked manifold optimization methods for training LLMs, which may address both optimizers' limitations, while conventional manifold optimization methods have been largely overlooked due to the poor performance in large-scale model optimization. By innovatively projecting the momentum onto the tangent space of model parameters and constraining it on a rotational Oblique manifold, we propose a novel, powerful, and efficient optimizer **Mano** that is the first to bridge the performance gap between manifold optimization and modern optimizers. Extensive experiments on the LLaMA and Qwen3 models demonstrate that Mano consistently and significantly outperforms AdamW and Muon even with less memory consumption and computational complexity, respectively, suggesting an expanded Pareto frontier in terms of space and time efficiency.

Convolutional neural network training can suffer from diverse issues like exploding or vanishing gradients, scaling-based weight space symmetry and covariant-shift. In order to address these issues, researchers develop weight regularization methods and activation normalization methods. In this work we propose a weight soft-regularization method based on the Oblique manifold. The proposed method uses a loss function which pushes each weight vector to have a norm close to one, i.e. the weight matrix is smoothly steered toward the so-called Oblique manifold. We evaluate our method on the very popular CIFAR-10, CIFAR-100 and ImageNet 2012 datasets using two state-of-the-art architectures, namely the ResNet and wide-ResNet. Our method introduces negligible computational overhead and the results show that it is competitive to the state-of-the-art and in some cases superior to it. Additionally, the results are less sensitive to hyperparameter settings such as batch size and regularization factor.

The standard normalization method for neural network (NN) models used in Natural Language Processing (NLP) is layer normalization (LN). This is different than batch normalization (BN), which is widely-adopted in Computer Vision. The preferred use of LN in NLP is principally due to the empirical observation that a (naive/vanilla) use of BN leads to significant performance degradation for NLP tasks; however, a thorough understanding of the underlying reasons for this is not always evident. In this paper, we perform a systematic study of NLP transformer models to understand why BN has a poor performance, as compared to LN. We find that the statistics of NLP data across the batch dimension exhibit large fluctuations throughout training. This results in instability, if BN is naively implemented. To address this, we propose Power Normalization (PN), a novel normalization scheme that resolves this issue by (i) relaxing zero-mean normalization in BN, (ii) incorporating a running quadratic mean instead of per batch statistics to stabilize fluctuations, and (iii) using an approximate backpropagation for incorporating the running statistics in the forward pass. We show theoretically, under mild assumptions, that PN leads to a smaller Lipschitz constant for the loss, compared with BN. Furthermore, we prove that the approximate backpropagation scheme leads to bounded gradients. We extensively test PN for transformers on a range of NLP tasks, and we show that it significantly outperforms both LN and BN. In particular, PN outperforms LN by 0.4/0.6 BLEU on IWSLT14/WMT14 and 5.6/3.0 PPL on PTB/WikiText-103. We make our code publicly available at https://github.com/sIncerass/powernorm.

Normalizing Flows (NFs) are widely used in deep generative models for their exact likelihood estimation and efficient sampling. However, they require substantial memory since the latent space matches the input dimension. Multi-scale architectures address this by progressively reducing latent dimensions while preserving reversibility. Existing multi-scale architectures use simple, static channel-wise splitting, limiting expressiveness. To improve this, we introduce a regularized, feature-dependent Shuffle operation and integrate it into vanilla multi-scale architecture. This operation adaptively generates channel-wise weights and shuffles latent variables before splitting them. We observe that such operation guides the variables to evolve in the direction of entropy increase, hence we refer to NFs with the Shuffle operation as Entropy-Informed Weighting Channel Normalizing Flow (EIW-Flow). Extensive experiments on CIFAR-10, CelebA, ImageNet, and LSUN demonstrate that EIW-Flow achieves state-of-the-art density estimation and competitive sample quality for deep generative modeling, with minimal computational overhead.

In this work, we develop new optimization algorithms that use approximate second-order information combined with the gradient regularization technique to achieve fast global convergence rates for both convex and non-convex objectives. The key innovation of our analysis is a novel notion called Gradient-Normalized Smoothness, which characterizes the maximum radius of a ball around the current point that yields a good relative approximation of the gradient field. Our theory establishes a natural intrinsic connection between Hessian approximation and the linearization of the gradient. Importantly, Gradient-Normalized Smoothness does not depend on the specific problem class of the objective functions, while effectively translating local information about the gradient field and Hessian approximation into the global behavior of the method. This new concept equips approximate second-order algorithms with universal global convergence guarantees, recovering state-of-the-art rates for functions with H\"older-continuous Hessians and third derivatives, quasi-self-concordant functions, as well as smooth classes in first-order optimization. These rates are achieved automatically and extend to broader classes, such as generalized self-concordant functions. We demonstrate direct applications of our results for global linear rates in logistic regression and softmax problems with approximate Hessians, as well as in non-convex optimization using Fisher and Gauss-Newton approximations.

It is folklore that reusing training data more than once can improve the statistical efficiency of gradient-based learning. While this phenomenon has been extensively studied in linear regression, the benefit of multi-pass gradient descent (GD, which reuses all the data) over one-pass stochastic gradient descent (online SGD, which uses each data point only once) is not well-understood in nonlinear and non-convex settings, except for a loss modification mechanism achieved by the first two passes on the data. In this work, we consider learning a d-dimensional single-index model with a quadratic activation, for which it is known that one-pass SGD requires ngtrsim dlog d samples to achieve weak recovery. We first show that this log d factor in the sample complexity persists for full-batch spherical GD on the correlation loss; however, by simply truncating the activation, full-batch GD exhibits a favorable optimization landscape at n simeq d samples, thereby outperforming one-pass SGD (with the same activation) in statistical efficiency. We complement this result with a trajectory analysis of full-batch GD on the squared loss from small initialization, showing that n gtrsim d samples and T gtrsimlog d gradient steps suffice to achieve strong (exact) recovery.

Deep neural networks have a clear degradation when applying to the unseen environment due to the covariate shift. Conventional approaches like domain adaptation requires the pre-collected target data for iterative training, which is impractical in real-world applications. In this paper, we propose to adapt the deep models to the novel environment during inference. An previous solution is test time normalization, which substitutes the source statistics in BN layers with the target batch statistics. However, we show that test time normalization may potentially deteriorate the discriminative structures due to the mismatch between target batch statistics and source parameters. To this end, we present a general formulation alpha-BN to calibrate the batch statistics by mixing up the source and target statistics for both alleviating the domain shift and preserving the discriminative structures. Based on alpha-BN, we further present a novel loss function to form a unified test time adaptation framework Core, which performs the pairwise class correlation online optimization. Extensive experiments show that our approaches achieve the state-of-the-art performance on total twelve datasets from three topics, including model robustness to corruptions, domain generalization on image classification and semantic segmentation. Particularly, our alpha-BN improves 28.4\% to 43.9\% on GTA5 rightarrow Cityscapes without any training, even outperforms the latest source-free domain adaptation method.

Normalizing flows are an essential alternative to GANs for generative modelling, which can be optimized directly on the maximum likelihood of the dataset. They also allow computation of the exact latent vector corresponding to an image since they are composed of invertible transformations. However, the requirement of invertibility of the transformation prevents standard and expressive neural network models such as CNNs from being directly used. Emergent convolutions were proposed to construct an invertible 3times3 CNN layer using a pair of masked CNN layers, making them inefficient. We study conditions such that 3times3 CNNs are invertible, allowing them to construct expressive normalizing flows. We derive necessary and sufficient conditions on a padded CNN for it to be invertible. Our conditions for invertibility are simple, can easily be maintained during the training process. Since we require only a single CNN layer for every effective invertible CNN layer, our approach is more efficient than emerging convolutions. We also proposed a coupling method, Quad-coupling. We benchmark our approach and show similar performance results to emergent convolutions while improving the model's efficiency.

We introduce methods for obtaining pretrained Geometric Neural Operators (GNPs) that can serve as basal foundation models for use in obtaining geometric features. These can be used within data processing pipelines for machine learning tasks and numerical methods. We show how our GNPs can be trained to learn robust latent representations for the differential geometry of point-clouds to provide estimates of metric, curvature, and other shape-related features. We demonstrate how our pre-trained GNPs can be used (i) to estimate the geometric properties of surfaces of arbitrary shape and topologies with robustness in the presence of noise, (ii) to approximate solutions of geometric partial differential equations (PDEs) on manifolds, and (iii) to solve equations for shape deformations such as curvature driven flows. We release codes and weights for using GNPs in the package geo_neural_op. This allows for incorporating our pre-trained GNPs as components for reuse within existing and new data processing pipelines. The GNPs also can be used as part of numerical solvers involving geometry or as part of methods for performing inference and other geometric tasks.

Normalizing flows (NFs) have become a prominent method for deep generative models that allow for an analytic probability density estimation and efficient synthesis. However, a flow-based network is considered to be inefficient in parameter complexity because of reduced expressiveness of bijective mapping, which renders the models unfeasibly expensive in terms of parameters. We present an alternative parameterization scheme called NanoFlow, which uses a single neural density estimator to model multiple transformation stages. Hence, we propose an efficient parameter decomposition method and the concept of flow indication embedding, which are key missing components that enable density estimation from a single neural network. Experiments performed on audio and image models confirm that our method provides a new parameter-efficient solution for scalable NFs with significant sublinear parameter complexity.

With diffusion and flow matching models achieving state-of-the-art generating performance, the interest of the community now turned to reducing the inference time without sacrificing sample quality. Consistency Models (CMs), which are trained to be consistent on diffusion or probability flow ordinary differential equation (PF-ODE) trajectories, enable one or two-step flow or diffusion sampling. However, CMs typically require prolonged training with large batch sizes to obtain competitive sample quality. In this paper, we examine the training dynamics of CMs near convergence and discover that CM tangents -- CM output update directions -- are quite oscillatory, in the sense that they move parallel to the data manifold, not towards the manifold. To mitigate oscillatory tangents, we propose a new loss function, called the manifold feature distance (MFD), which provides manifold-aligned tangents that point toward the data manifold. Consequently, our method -- dubbed Align Your Tangent (AYT) -- can accelerate CM training by orders of magnitude and even out-perform the learned perceptual image patch similarity metric (LPIPS). Furthermore, we find that our loss enables training with extremely small batch sizes without compromising sample quality. Code: https://github.com/1202kbs/AYT

Riemannian geometry has been applied to Brain Computer Interface (BCI) for brain signals classification yielding promising results. Studying electroencephalographic (EEG) signals from their associated covariance matrices allows a mitigation of common sources of variability (electronic, electrical, biological) by constructing a representation which is invariant to these perturbations. While working in Euclidean space with covariance matrices is known to be error-prone, one might take advantage of algorithmic advances in information geometry and matrix manifold to implement methods for Symmetric Positive-Definite (SPD) matrices. This paper proposes a comprehensive review of the actual tools of information geometry and how they could be applied on covariance matrices of EEG. In practice, covariance matrices should be estimated, thus a thorough study of all estimators is conducted on real EEG dataset. As a main contribution, this paper proposes an online implementation of a classifier in the Riemannian space and its subsequent assessment in Steady-State Visually Evoked Potential (SSVEP) experimentations.

Weight-space merging aims to combine multiple fine-tuned LLMs into a single model without retraining, yet most existing approaches remain fundamentally parameter-space heuristics. This creates three practical limitations. First, linear averaging, task vectors, and related rules operate on Euclidean coordinates, even though the desired goal is to merge functionality, i.e., predictive behaviors across tasks. Second, when the source checkpoints are farther apart or more heterogeneous, Euclidean blends often trigger representation collapse, manifested as activation variance shrinkage and effective-rank degradation, which sharply degrades accuracy. Third, many geometry-inspired methods are most natural for two-model interpolation and do not extend cleanly to merging N>2 experts with a principled objective. We address these issues by formulating model merging as computing a weighted Karcher mean on the Fisher--Rao manifold, which is locally equivalent to minimizing a KL-based function distance between predictive distributions. We derive a practical fixed-point algorithm using a lightweight spherical proxy that preserves norms and generalizes directly to multi-expert merging. Across various benchmarks and collapse diagnostics, our method remains stable as the number and heterogeneity of merged models increase, consistently outperforming prior baselines.

One of the challenges in the study of generative adversarial networks is the instability of its training. In this paper, we propose a novel weight normalization technique called spectral normalization to stabilize the training of the discriminator. Our new normalization technique is computationally light and easy to incorporate into existing implementations. We tested the efficacy of spectral normalization on CIFAR10, STL-10, and ILSVRC2012 dataset, and we experimentally confirmed that spectrally normalized GANs (SN-GANs) is capable of generating images of better or equal quality relative to the previous training stabilization techniques.

Normalising Flows are non-parametric statistical models characterised by their dual capabilities of density estimation and generation. This duality requires an inherently invertible architecture. However, the requirement of invertibility imposes constraints on their expressiveness, necessitating a large number of parameters and innovative architectural designs to achieve good results. Whilst flow-based models predominantly rely on neural-network-based transformations for expressive designs, alternative transformation methods have received limited attention. In this work, we present Ferumal flow, a novel kernelised normalising flow paradigm that integrates kernels into the framework. Our results demonstrate that a kernelised flow can yield competitive or superior results compared to neural network-based flows whilst maintaining parameter efficiency. Kernelised flows excel especially in the low-data regime, enabling flexible non-parametric density estimation in applications with sparse data availability.

A normalizing flow models a complex probability density as an invertible transformation of a simple base density. Flows based on either coupling or autoregressive transforms both offer exact density evaluation and sampling, but rely on the parameterization of an easily invertible elementwise transformation, whose choice determines the flexibility of these models. Building upon recent work, we propose a fully-differentiable module based on monotonic rational-quadratic splines, which enhances the flexibility of both coupling and autoregressive transforms while retaining analytic invertibility. We demonstrate that neural spline flows improve density estimation, variational inference, and generative modeling of images.

Deep multitask networks, in which one neural network produces multiple predictive outputs, can offer better speed and performance than their single-task counterparts but are challenging to train properly. We present a gradient normalization (GradNorm) algorithm that automatically balances training in deep multitask models by dynamically tuning gradient magnitudes. We show that for various network architectures, for both regression and classification tasks, and on both synthetic and real datasets, GradNorm improves accuracy and reduces overfitting across multiple tasks when compared to single-task networks, static baselines, and other adaptive multitask loss balancing techniques. GradNorm also matches or surpasses the performance of exhaustive grid search methods, despite only involving a single asymmetry hyperparameter alpha. Thus, what was once a tedious search process that incurred exponentially more compute for each task added can now be accomplished within a few training runs, irrespective of the number of tasks. Ultimately, we will demonstrate that gradient manipulation affords us great control over the training dynamics of multitask networks and may be one of the keys to unlocking the potential of multitask learning.