Daily Papers

Equivariant Graph Neural Networks (EGNNs) have emerged as a promising approach in Multi-Agent Reinforcement Learning (MARL), leveraging symmetry guarantees to greatly improve sample efficiency and generalization. However, real-world environments often exhibit inherent asymmetries arising from factors such as external forces, measurement inaccuracies, or intrinsic system biases. This paper introduces Partially Equivariant Graph NeUral Networks (PEnGUiN), a novel architecture specifically designed to address these challenges. We formally identify and categorize various types of partial equivariance relevant to MARL, including subgroup equivariance, feature-wise equivariance, regional equivariance, and approximate equivariance. We theoretically demonstrate that PEnGUiN is capable of learning both fully equivariant (EGNN) and non-equivariant (GNN) representations within a unified framework. Through extensive experiments on a range of MARL problems incorporating various asymmetries, we empirically validate the efficacy of PEnGUiN. Our results consistently demonstrate that PEnGUiN outperforms both EGNNs and standard GNNs in asymmetric environments, highlighting their potential to improve the robustness and applicability of graph-based MARL algorithms in real-world scenarios.

Equivariance to random image transformations is an effective method to learn landmarks of object categories, such as the eyes and the nose in faces, without manual supervision. However, this method does not explicitly guarantee that the learned landmarks are consistent with changes between different instances of the same object, such as different facial identities. In this paper, we develop a new perspective on the equivariance approach by noting that dense landmark detectors can be interpreted as local image descriptors equipped with invariance to intra-category variations. We then propose a direct method to enforce such an invariance in the standard equivariant loss. We do so by exchanging descriptor vectors between images of different object instances prior to matching them geometrically. In this manner, the same vectors must work regardless of the specific object identity considered. We use this approach to learn vectors that can simultaneously be interpreted as local descriptors and dense landmarks, combining the advantages of both. Experiments on standard benchmarks show that this approach can match, and in some cases surpass state-of-the-art performance amongst existing methods that learn landmarks without supervision. Code is available at www.robots.ox.ac.uk/~vgg/research/DVE/.

Equivariance is a fundamental property in computer vision models, yet strict equivariance is rarely satisfied in real-world data, which can limit a model's performance. Controlling the degree of equivariance is therefore desirable. We propose a general framework for constructing soft equivariant models by projecting the model weights into a designed subspace. The method applies to any pre-trained architecture and provides theoretical bounds on the induced equivariance error. Empirically, we demonstrate the effectiveness of our method on multiple pre-trained backbones, including ViT and ResNet, across image classification, semantic segmentation, and human-trajectory prediction tasks. Notably, our approach improves the performance while simultaneously reducing equivariance error on the competitive ImageNet benchmark.

Conditional Neural Processes (CNPs) are a class of metalearning models popular for combining the runtime efficiency of amortized inference with reliable uncertainty quantification. Many relevant machine learning tasks, such as in spatio-temporal modeling, Bayesian Optimization and continuous control, inherently contain equivariances -- for example to translation -- which the model can exploit for maximal performance. However, prior attempts to include equivariances in CNPs do not scale effectively beyond two input dimensions. In this work, we propose Relational Conditional Neural Processes (RCNPs), an effective approach to incorporate equivariances into any neural process model. Our proposed method extends the applicability and impact of equivariant neural processes to higher dimensions. We empirically demonstrate the competitive performance of RCNPs on a large array of tasks naturally containing equivariances.

Simulation-based inference with conditional neural density estimators is a powerful approach to solving inverse problems in science. However, these methods typically treat the underlying forward model as a black box, with no way to exploit geometric properties such as equivariances. Equivariances are common in scientific models, however integrating them directly into expressive inference networks (such as normalizing flows) is not straightforward. We here describe an alternative method to incorporate equivariances under joint transformations of parameters and data. Our method -- called group equivariant neural posterior estimation (GNPE) -- is based on self-consistently standardizing the "pose" of the data while estimating the posterior over parameters. It is architecture-independent, and applies both to exact and approximate equivariances. As a real-world application, we use GNPE for amortized inference of astrophysical binary black hole systems from gravitational-wave observations. We show that GNPE achieves state-of-the-art accuracy while reducing inference times by three orders of magnitude.

In this paper, we adopt the Universal Manifold Embedding (UME) framework for the estimation of rigid transformations and extend it, so that it can accommodate scenarios involving partial overlap and differently sampled point clouds. UME is a methodology designed for mapping observations of the same object, related by rigid transformations, into a single low-dimensional linear subspace. This process yields a transformation-invariant representation of the observations, with its matrix form representation being covariant (i.e. equivariant) with the transformation. We extend the UME framework by introducing a UME-compatible feature extraction method augmented with a unique UME contrastive loss and a sampling equalizer. These components are integrated into a comprehensive and robust registration pipeline, named UMERegRobust. We propose the RotKITTI registration benchmark, specifically tailored to evaluate registration methods for scenarios involving large rotations. UMERegRobust achieves better than state-of-the-art performance on the KITTI benchmark, especially when strict precision of (1{\deg}, 10cm) is considered (with an average gain of +9%), and notably outperform SOTA methods on the RotKITTI benchmark (with +45% gain compared the most recent SOTA method).

Learning to predict agent motions with relationship reasoning is important for many applications. In motion prediction tasks, maintaining motion equivariance under Euclidean geometric transformations and invariance of agent interaction is a critical and fundamental principle. However, such equivariance and invariance properties are overlooked by most existing methods. To fill this gap, we propose EqMotion, an efficient equivariant motion prediction model with invariant interaction reasoning. To achieve motion equivariance, we propose an equivariant geometric feature learning module to learn a Euclidean transformable feature through dedicated designs of equivariant operations. To reason agent's interactions, we propose an invariant interaction reasoning module to achieve a more stable interaction modeling. To further promote more comprehensive motion features, we propose an invariant pattern feature learning module to learn an invariant pattern feature, which cooperates with the equivariant geometric feature to enhance network expressiveness. We conduct experiments for the proposed model on four distinct scenarios: particle dynamics, molecule dynamics, human skeleton motion prediction and pedestrian trajectory prediction. Experimental results show that our method is not only generally applicable, but also achieves state-of-the-art prediction performances on all the four tasks, improving by 24.0/30.1/8.6/9.2%. Code is available at https://github.com/MediaBrain-SJTU/EqMotion.

In computer vision, models must be able to adapt to changes in image resolution to effectively carry out tasks such as image segmentation; This is known as scale-equivariance. Recent works have made progress in developing scale-equivariant convolutional neural networks, e.g., through weight-sharing and kernel resizing. However, these networks are not truly scale-equivariant in practice. Specifically, they do not consider anti-aliasing as they formulate the down-scaling operation in the continuous domain. To address this shortcoming, we directly formulate down-scaling in the discrete domain with consideration of anti-aliasing. We then propose a novel architecture based on Fourier layers to achieve truly scale-equivariant deep nets, i.e., absolute zero equivariance-error. Following prior works, we test this model on MNIST-scale and STL-10 datasets. Our proposed model achieves competitive classification performance while maintaining zero equivariance-error.

Datasets often have their intrinsic symmetries, and particular deep-learning models called equivariant or invariant models have been developed to exploit these symmetries. However, if some or all of these symmetries are only approximate, which frequently happens in practice, these models may be suboptimal due to the architectural restrictions imposed on them. We tackle this issue of approximate symmetries in a setup where symmetries are mixed, i.e., they are symmetries of not single but multiple different types and the degree of approximation varies across these types. Instead of proposing a new architectural restriction as in most of the previous approaches, we present a regularizer-based method for building a model for a dataset with mixed approximate symmetries. The key component of our method is what we call equivariance regularizer for a given type of symmetries, which measures how much a model is equivariant with respect to the symmetries of the type. Our method is trained with these regularizers, one per each symmetry type, and the strength of the regularizers is automatically tuned during training, leading to the discovery of the approximation levels of some candidate symmetry types without explicit supervision. Using synthetic function approximation and motion forecasting tasks, we demonstrate that our method achieves better accuracy than prior approaches while discovering the approximate symmetry levels correctly.

Shift equivariance is a fundamental principle that governs how we perceive the world - our recognition of an object remains invariant with respect to shifts. Transformers have gained immense popularity due to their effectiveness in both language and vision tasks. While the self-attention operator in vision transformers (ViT) is permutation-equivariant and thus shift-equivariant, patch embedding, positional encoding, and subsampled attention in ViT variants can disrupt this property, resulting in inconsistent predictions even under small shift perturbations. Although there is a growing trend in incorporating the inductive bias of convolutional neural networks (CNNs) into vision transformers, it does not fully address the issue. We propose an adaptive polyphase anchoring algorithm that can be seamlessly integrated into vision transformer models to ensure shift-equivariance in patch embedding and subsampled attention modules, such as window attention and global subsampled attention. Furthermore, we utilize depth-wise convolution to encode positional information. Our algorithms enable ViT, and its variants such as Twins to achieve 100% consistency with respect to input shift, demonstrate robustness to cropping, flipping, and affine transformations, and maintain consistent predictions even when the original models lose 20 percentage points on average when shifted by just a few pixels with Twins' accuracy dropping from 80.57% to 62.40%.

Equivariant networks are specifically designed to ensure consistent behavior with respect to a set of input transformations, leading to higher sample efficiency and more accurate and robust predictions. However, redesigning each component of prevalent deep neural network architectures to achieve chosen equivariance is a difficult problem and can result in a computationally expensive network during both training and inference. A recently proposed alternative towards equivariance that removes the architectural constraints is to use a simple canonicalization network that transforms the input to a canonical form before feeding it to an unconstrained prediction network. We show here that this approach can effectively be used to make a large pretrained network equivariant. However, we observe that the produced canonical orientations can be misaligned with those of the training distribution, hindering performance. Using dataset-dependent priors to inform the canonicalization function, we are able to make large pretrained models equivariant while maintaining their performance. This significantly improves the robustness of these models to deterministic transformations of the data, such as rotations. We believe this equivariant adaptation of large pretrained models can help their domain-specific applications with known symmetry priors.

Recent progress has been made towards learning invariant or equivariant representations with self-supervised learning. While invariant methods are evaluated on large scale datasets, equivariant ones are evaluated in smaller, more controlled, settings. We aim at bridging the gap between the two in order to learn more diverse representations that are suitable for a wide range of tasks. We start by introducing a dataset called 3DIEBench, consisting of renderings from 3D models over 55 classes and more than 2.5 million images where we have full control on the transformations applied to the objects. We further introduce a predictor architecture based on hypernetworks to learn equivariant representations with no possible collapse to invariance. We introduce SIE (Split Invariant-Equivariant) which combines the hypernetwork-based predictor with representations split in two parts, one invariant, the other equivariant, to learn richer representations. We demonstrate significant performance gains over existing methods on equivariance related tasks from both a qualitative and quantitative point of view. We further analyze our introduced predictor and show how it steers the learned latent space. We hope that both our introduced dataset and approach will enable learning richer representations without supervision in more complex scenarios. Code and data are available at https://github.com/facebookresearch/SIE.

Proper evaluations are crucial for better understanding, troubleshooting, interpreting model behaviors and further improving model performance. While using scalar-based error metrics provides a fast way to overview model performance, they are often too abstract to display certain weak spots and lack information regarding important model properties, such as robustness. This not only hinders machine learning models from being more interpretable and gaining trust, but also can be misleading to both model developers and users. Additionally, conventional evaluation procedures often leave researchers unclear about where and how model fails, which complicates model comparisons and further developments. To address these issues, we propose a novel evaluation workflow, named Non-Equivariance Revealed on Orbits (NERO) Evaluation. The goal of NERO evaluation is to turn focus from traditional scalar-based metrics onto evaluating and visualizing models equivariance, closely capturing model robustness, as well as to allow researchers quickly investigating interesting or unexpected model behaviors. NERO evaluation is consist of a task-agnostic interactive interface and a set of visualizations, called NERO plots, which reveals the equivariance property of the model. Case studies on how NERO evaluation can be applied to multiple research areas, including 2D digit recognition, object detection, particle image velocimetry (PIV), and 3D point cloud classification, demonstrate that NERO evaluation can quickly illustrate different model equivariance, and effectively explain model behaviors through interactive visualizations of the model outputs. In addition, we propose consensus, an alternative to ground truths, to be used in NERO evaluation so that model equivariance can still be evaluated with new, unlabeled datasets.

Popular representation learning methods encourage feature invariance under transformations applied at the input. However, in 3D perception tasks like object localization and segmentation, outputs are naturally equivariant to some transformations, such as rotation. Using pre-training loss functions that encourage equivariance of features under certain transformations provides a strong self-supervision signal while also retaining information of geometric relationships between transformed feature representations. This can enable improved performance in downstream tasks that are equivariant to such transformations. In this paper, we propose a spatio-temporal equivariant learning framework by considering both spatial and temporal augmentations jointly. Our experiments show that the best performance arises with a pre-training approach that encourages equivariance to translation, scaling, and flip, rotation and scene flow. For spatial augmentations, we find that depending on the transformation, either a contrastive objective or an equivariance-by-classification objective yields best results. To leverage real-world object deformations and motion, we consider sequential LiDAR scene pairs and develop a novel 3D scene flow-based equivariance objective that leads to improved performance overall. We show our pre-training method for 3D object detection which outperforms existing equivariant and invariant approaches in many settings.

Ensuring equitable treatment (fairness) across protected attributes (such as gender or ethnicity) is a critical issue in machine learning. Most existing literature focuses on binary classification, but achieving fairness in regression tasks-such as insurance pricing or hiring score assessments-is equally important. Moreover, anti-discrimination laws also apply to continuous attributes, such as age, for which many existing methods are not applicable. In practice, multiple protected attributes can exist simultaneously; however, methods targeting fairness across several attributes often overlook so-called "fairness gerrymandering", thereby ignoring disparities among intersectional subgroups (e.g., African-American women or Hispanic men). In this paper, we propose a distance covariance regularisation framework that mitigates the association between model predictions and protected attributes, in line with the fairness definition of demographic parity, and that captures both linear and nonlinear dependencies. To enhance applicability in the presence of multiple protected attributes, we extend our framework by incorporating two multivariate dependence measures based on distance covariance: the previously proposed joint distance covariance (JdCov) and our novel concatenated distance covariance (CCdCov), which effectively address fairness gerrymandering in both regression and classification tasks involving protected attributes of various types. We discuss and illustrate how to calibrate regularisation strength, including a method based on Jensen-Shannon divergence, which quantifies dissimilarities in prediction distributions across groups. We apply our framework to the COMPAS recidivism dataset and a large motor insurance claims dataset.

Scale variation is a fundamental challenge in computer vision. Objects of the same class can have different sizes, and their perceived size is further affected by the distance from the camera. These variations are local to the objects, i.e., different object sizes may change differently within the same image. To effectively handle scale variations, we present a deep equilibrium canonicalizer (DEC) to improve the local scale equivariance of a model. DEC can be easily incorporated into existing network architectures and can be adapted to a pre-trained model. Notably, we show that on the competitive ImageNet benchmark, DEC improves both model performance and local scale consistency across four popular pre-trained deep-nets, e.g., ViT, DeiT, Swin, and BEiT. Our code is available at https://github.com/ashiq24/local-scale-equivariance.

This study explores the concept of equivariance in vision-language foundation models (VLMs), focusing specifically on the multimodal similarity function that is not only the major training objective but also the core delivery to support downstream tasks. Unlike the existing image-text similarity objective which only categorizes matched pairs as similar and unmatched pairs as dissimilar, equivariance also requires similarity to vary faithfully according to the semantic changes. This allows VLMs to generalize better to nuanced and unseen multimodal compositions. However, modeling equivariance is challenging as the ground truth of semantic change is difficult to collect. For example, given an image-text pair about a dog, it is unclear to what extent the similarity changes when the pixel is changed from dog to cat? To this end, we propose EqSim, a regularization loss that can be efficiently calculated from any two matched training pairs and easily pluggable into existing image-text retrieval fine-tuning. Meanwhile, to further diagnose the equivariance of VLMs, we present a new challenging benchmark EqBen. Compared to the existing evaluation sets, EqBen is the first to focus on "visual-minimal change". Extensive experiments show the lack of equivariance in current VLMs and validate the effectiveness of EqSim. Code is available at https://github.com/Wangt-CN/EqBen.

Integrating a notion of symmetry into point cloud neural networks is a provably effective way to improve their generalization capability. Of particular interest are E(3) equivariant point cloud networks where Euclidean transformations applied to the inputs are preserved in the outputs. Recent efforts aim to extend networks that are E(3) equivariant, to accommodate inputs made of multiple parts, each of which exhibits local E(3) symmetry. In practical settings, however, the partitioning into individually transforming regions is unknown a priori. Errors in the partition prediction would unavoidably map to errors in respecting the true input symmetry. Past works have proposed different ways to predict the partition, which may exhibit uncontrolled errors in their ability to maintain equivariance to the actual partition. To this end, we introduce APEN: a general framework for constructing approximate piecewise-E(3) equivariant point networks. Our primary insight is that functions that are equivariant with respect to a finer partition will also maintain equivariance in relation to the true partition. Leveraging this observation, we propose a design where the equivariance approximation error at each layers can be bounded solely in terms of (i) uncertainty quantification of the partition prediction, and (ii) bounds on the probability of failing to suggest a proper subpartition of the ground truth one. We demonstrate the effectiveness of APEN using two data types exemplifying part-based symmetry: (i) real-world scans of room scenes containing multiple furniture-type objects; and, (ii) human motions, characterized by articulated parts exhibiting rigid movement. Our empirical results demonstrate the advantage of integrating piecewise E(3) symmetry into network design, showing a distinct improvement in generalization compared to prior works for both classification and segmentation tasks.

Invariance and equivariance to geometrical transformations have proven to be very useful inductive biases when training (convolutional) neural network models, especially in the low-data regime. Much work has focused on the case where the symmetry group employed is compact or abelian, or both. Recent work has explored enlarging the class of transformations used to the case of Lie groups, principally through the use of their Lie algebra, as well as the group exponential and logarithm maps. The applicability of such methods to larger transformation groups is limited by the fact that depending on the group of interest G, the exponential map may not be surjective. Further limitations are encountered when G is neither compact nor abelian. Using the structure and geometry of Lie groups and their homogeneous spaces, we present a framework by which it is possible to work with such groups primarily focusing on the Lie groups G = GL^{+}(n, R) and G = SL(n, R), as well as their representation as affine transformations R^{n} rtimes G. Invariant integration as well as a global parametrization is realized by decomposing the `larger` groups into subgroups and submanifolds which can be handled individually. Under this framework, we show how convolution kernels can be parametrized to build models equivariant with respect to affine transformations. We evaluate the robustness and out-of-distribution generalisation capability of our model on the standard affine-invariant benchmark classification task, where we outperform all previous equivariant models as well as all Capsule Network proposals.

Shape assembly aims to reassemble parts (or fragments) into a complete object, which is a common task in our daily life. Different from the semantic part assembly (e.g., assembling a chair's semantic parts like legs into a whole chair), geometric part assembly (e.g., assembling bowl fragments into a complete bowl) is an emerging task in computer vision and robotics. Instead of semantic information, this task focuses on geometric information of parts. As the both geometric and pose space of fractured parts are exceptionally large, shape pose disentanglement of part representations is beneficial to geometric shape assembly. In our paper, we propose to leverage SE(3) equivariance for such shape pose disentanglement. Moreover, while previous works in vision and robotics only consider SE(3) equivariance for the representations of single objects, we move a step forward and propose leveraging SE(3) equivariance for representations considering multi-part correlations, which further boosts the performance of the multi-part assembly. Experiments demonstrate the significance of SE(3) equivariance and our proposed method for geometric shape assembly. Project page: https://crtie.github.io/SE-3-part-assembly/

The convolutional layers of standard convolutional neural networks (CNNs) are equivariant to translation. However, the convolution and fully-connected layers are not equivariant or invariant to other affine geometric transformations. Recently, a new class of CNNs is proposed in which the conventional layers of CNNs are replaced with equivariant convolution, pooling, and batch-normalization layers. The final classification layer in equivariant neural networks is invariant to different affine geometric transformations such as rotation, reflection and translation, and the scalar value is obtained by either eliminating the spatial dimensions of filter responses using convolution and down-sampling throughout the network or average is taken over the filter responses. In this work, we propose to integrate the orthogonal moments which gives the high-order statistics of the function as an effective means for encoding global invariance with respect to rotation, reflection and translation in fully-connected layers. As a result, the intermediate layers of the network become equivariant while the classification layer becomes invariant. The most widely used Zernike, pseudo-Zernike and orthogonal Fourier-Mellin moments are considered for this purpose. The effectiveness of the proposed work is evaluated by integrating the invariant transition and fully-connected layer in the architecture of group-equivariant CNNs (G-CNNs) on rotated MNIST and CIFAR10 datasets.

Current self-supervised algorithms commonly rely on transformations such as data augmentation and masking to learn visual representations. This is achieved by enforcing invariance or equivariance with respect to these transformations after encoding two views of an image. This dominant two-view paradigm often limits the flexibility of learned representations for downstream adaptation by creating performance trade-offs between high-level invariance-demanding tasks such as image classification and more fine-grained equivariance-related tasks. In this work, we proposes seq-JEPA, a world modeling framework that introduces architectural inductive biases into joint-embedding predictive architectures to resolve this trade-off. Without relying on dual equivariance predictors or loss terms, seq-JEPA simultaneously learns two architecturally segregated representations: one equivariant to specified transformations and another invariant to them. To do so, our model processes short sequences of different views (observations) of inputs. Each encoded view is concatenated with an embedding of the relative transformation (action) that produces the next observation in the sequence. These view-action pairs are passed through a transformer encoder that outputs an aggregate representation. A predictor head then conditions this aggregate representation on the upcoming action to predict the representation of the next observation. Empirically, seq-JEPA demonstrates strong performance on both equivariant and invariant benchmarks without sacrificing one for the other. Furthermore, it excels at tasks that inherently require aggregating a sequence of observations, such as path integration across actions and predictive learning across eye movements.

Current generative models, such as autoregressive and diffusion approaches, decompose high-dimensional data distribution learning into a series of simpler subtasks. However, inherent conflicts arise during the joint optimization of these subtasks, and existing solutions fail to resolve such conflicts without sacrificing efficiency or scalability. We propose a novel equivariant image modeling framework that inherently aligns optimization targets across subtasks by leveraging the translation invariance of natural visual signals. Our method introduces (1) column-wise tokenization which enhances translational symmetry along the horizontal axis, and (2) windowed causal attention which enforces consistent contextual relationships across positions. Evaluated on class-conditioned ImageNet generation at 256x256 resolution, our approach achieves performance comparable to state-of-the-art AR models while using fewer computational resources. Systematic analysis demonstrates that enhanced equivariance reduces inter-task conflicts, significantly improving zero-shot generalization and enabling ultra-long image synthesis. This work establishes the first framework for task-aligned decomposition in generative modeling, offering insights into efficient parameter sharing and conflict-free optimization. The code and models are publicly available at https://github.com/drx-code/EquivariantModeling.

We study the problem of learning equivariant neural networks via gradient descent. The incorporation of known symmetries ("equivariance") into neural nets has empirically improved the performance of learning pipelines, in domains ranging from biology to computer vision. However, a rich yet separate line of learning theoretic research has demonstrated that actually learning shallow, fully-connected (i.e. non-symmetric) networks has exponential complexity in the correlational statistical query (CSQ) model, a framework encompassing gradient descent. In this work, we ask: are known problem symmetries sufficient to alleviate the fundamental hardness of learning neural nets with gradient descent? We answer this question in the negative. In particular, we give lower bounds for shallow graph neural networks, convolutional networks, invariant polynomials, and frame-averaged networks for permutation subgroups, which all scale either superpolynomially or exponentially in the relevant input dimension. Therefore, in spite of the significant inductive bias imparted via symmetry, actually learning the complete classes of functions represented by equivariant neural networks via gradient descent remains hard.

Many theoretical results in deep learning can be traced to symmetry or equivariance of neural networks under parameter transformations. However, existing analyses are typically problem-specific and focus on first-order consequences such as conservation laws, while the implications for second-order structure remain less understood. We develop a general equivariance toolbox that yields coupled first- and second-order constraints on learning dynamics. The framework extends classical Noether-type analyses in three directions: from gradient constraints to Hessian constraints, from symmetry to general equivariance, and from continuous to discrete transformations. At the first order, our framework unifies conservation laws and implicit-bias relations as special cases of a single identity. At the second order, it provides structural predictions about curvature: which directions are flat or sharp, how the gradient aligns with Hessian eigenspaces, and how the loss landscape geometry reflects the underlying transformation structure. We illustrate the framework through several applications, recovering known results while also deriving new characterizations that connect transformation structure to modern empirical observations about optimization geometry.

In state-of-the-art self-supervised learning (SSL) pre-training produces semantically good representations by encouraging them to be invariant under meaningful transformations prescribed from human knowledge. In fact, the property of invariance is a trivial instance of a broader class called equivariance, which can be intuitively understood as the property that representations transform according to the way the inputs transform. Here, we show that rather than using only invariance, pre-training that encourages non-trivial equivariance to some transformations, while maintaining invariance to other transformations, can be used to improve the semantic quality of representations. Specifically, we extend popular SSL methods to a more general framework which we name Equivariant Self-Supervised Learning (E-SSL). In E-SSL, a simple additional pre-training objective encourages equivariance by predicting the transformations applied to the input. We demonstrate E-SSL's effectiveness empirically on several popular computer vision benchmarks, e.g. improving SimCLR to 72.5% linear probe accuracy on ImageNet. Furthermore, we demonstrate usefulness of E-SSL for applications beyond computer vision; in particular, we show its utility on regression problems in photonics science. Our code, datasets and pre-trained models are available at https://github.com/rdangovs/essl to aid further research in E-SSL.

We propose Equivariance by Contrast (EbC) to learn equivariant embeddings from observation pairs (y, g cdot y), where g is drawn from a finite group acting on the data. Our method jointly learns a latent space and a group representation in which group actions correspond to invertible linear maps -- without relying on group-specific inductive biases. We validate our approach on the infinite dSprites dataset with structured transformations defined by the finite group G:= (R_m times Z_n times Z_n), combining discrete rotations and periodic translations. The resulting embeddings exhibit high-fidelity equivariance, with group operations faithfully reproduced in latent space. On synthetic data, we further validate the approach on the non-abelian orthogonal group O(n) and the general linear group GL(n). We also provide a theoretical proof for identifiability. While broad evaluation across diverse group types on real-world data remains future work, our results constitute the first successful demonstration of general-purpose encoder-only equivariant learning from group action observations alone, including non-trivial non-abelian groups and a product group motivated by modeling affine equivariances in computer vision.

Developing equivariant neural networks for the E(3) group plays an important role in modeling 3D data across real-world applications. Enforcing this equivariance primarily involves the tensor products of irreducible representations (irreps). However, the computational complexity of such operations increases significantly as higher-order tensors are used. In this work, we propose a systematic approach to substantially accelerate the computation of the tensor products of irreps. We mathematically connect the commonly used Clebsch-Gordan coefficients to the Gaunt coefficients, which are integrals of products of three spherical harmonics. Through Gaunt coefficients, the tensor product of irreps becomes equivalent to the multiplication between spherical functions represented by spherical harmonics. This perspective further allows us to change the basis for the equivariant operations from spherical harmonics to a 2D Fourier basis. Consequently, the multiplication between spherical functions represented by a 2D Fourier basis can be efficiently computed via the convolution theorem and Fast Fourier Transforms. This transformation reduces the complexity of full tensor products of irreps from O(L^6) to O(L^3), where L is the max degree of irreps. Leveraging this approach, we introduce the Gaunt Tensor Product, which serves as a new method to construct efficient equivariant operations across different model architectures. Our experiments on the Open Catalyst Project and 3BPA datasets demonstrate both the increased efficiency and improved performance of our approach.

Contours or closed planar curves are common in many domains. For example, they appear as object boundaries in computer vision, isolines in meteorology, and the orbits of rotating machinery. In many cases when learning from contour data, planar rotations of the input will result in correspondingly rotated outputs. It is therefore desirable that deep learning models be rotationally equivariant. In addition, contours are typically represented as an ordered sequence of edge points, where the choice of starting point is arbitrary. It is therefore also desirable for deep learning methods to be equivariant under cyclic shifts. We present RotaTouille, a deep learning framework for learning from contour data that achieves both rotation and cyclic shift equivariance through complex-valued circular convolution. We further introduce and characterize equivariant non-linearities, coarsening layers, and global pooling layers to obtain invariant representations for downstream tasks. Finally, we demonstrate the effectiveness of RotaTouille through experiments in shape classification, reconstruction, and contour regression.

Embodied systems experience the world as 'a symphony of flows': a combination of many continuous streams of sensory input coupled to self-motion, interwoven with the dynamics of external objects. These streams obey smooth, time-parameterized symmetries, which combine through a precisely structured algebra; yet most neural network world models ignore this structure and instead repeatedly re-learn the same transformations from data. In this work, we introduce 'Flow Equivariant World Models', a framework in which both self-motion and external object motion are unified as one-parameter Lie group 'flows'. We leverage this unification to implement group equivariance with respect to these transformations, thereby providing a stable latent world representation over hundreds of timesteps. On both 2D and 3D partially observed video world modeling benchmarks, we demonstrate that Flow Equivariant World Models significantly outperform comparable state-of-the-art diffusion-based and memory-augmented world modeling architectures -- particularly when there are predictable world dynamics outside the agent's current field of view. We show that flow equivariance is particularly beneficial for long rollouts, generalizing far beyond the training horizon. By structuring world model representations with respect to internal and external motion, flow equivariance charts a scalable route to data efficient, symmetry-guided, embodied intelligence. Project link: https://flowequivariantworldmodels.github.io.

Data arrives at our senses as a continuous stream, smoothly transforming from one instant to the next. These smooth transformations can be viewed as continuous symmetries of the environment that we inhabit, defining equivalence relations between stimuli over time. In machine learning, neural network architectures that respect symmetries of their data are called equivariant and have provable benefits in terms of generalization ability and sample efficiency. To date, however, equivariance has been considered only for static transformations and feed-forward networks, limiting its applicability to sequence models, such as recurrent neural networks (RNNs), and corresponding time-parameterized sequence transformations. In this work, we extend equivariant network theory to this regime of `flows' -- one-parameter Lie subgroups capturing natural transformations over time, such as visual motion. We begin by showing that standard RNNs are generally not flow equivariant: their hidden states fail to transform in a geometrically structured manner for moving stimuli. We then show how flow equivariance can be introduced, and demonstrate that these models significantly outperform their non-equivariant counterparts in terms of training speed, length generalization, and velocity generalization, on both next step prediction and sequence classification. We present this work as a first step towards building sequence models that respect the time-parameterized symmetries which govern the world around us.

Self-supervised learning (SSL) methods have achieved remarkable success in learning image representations allowing invariances in them - but therefore discarding transformation information that some computer vision tasks actually require. While recent approaches attempt to address this limitation by learning equivariant features using linear operators in feature space, they impose restrictive assumptions that constrain flexibility and generalization. We introduce a weaker definition for the transformation relation between image and feature space denoted as equivariance-coherence. We propose a novel SSL auxiliary task that learns equivariance-coherent representations through intermediate transformation reconstruction, which can be integrated with existing joint embedding SSL methods. Our key idea is to reconstruct images at intermediate points along transformation paths, e.g. when training on 30-degree rotations, we reconstruct the 10-degree and 20-degree rotation states. Reconstructing intermediate states requires the transformation information used in augmentations, rather than suppressing it, and therefore fosters features containing the augmented transformation information. Our method decomposes feature vectors into invariant and equivariant parts, training them with standard SSL losses and reconstruction losses, respectively. We demonstrate substantial improvements on synthetic equivariance benchmarks while maintaining competitive performance on downstream tasks requiring invariant representations. The approach seamlessly integrates with existing SSL methods (iBOT, DINOv2) and consistently enhances performance across diverse tasks, including segmentation, detection, depth estimation, and video dense prediction. Our framework provides a practical way for augmenting SSL methods with equivariant capabilities while preserving invariant performance.

Latent diffusion models have emerged as the leading approach for generating high-quality images and videos, utilizing compressed latent representations to reduce the computational burden of the diffusion process. While recent advancements have primarily focused on scaling diffusion backbones and improving autoencoder reconstruction quality, the interaction between these components has received comparatively less attention. In this work, we perform a spectral analysis of modern autoencoders and identify inordinate high-frequency components in their latent spaces, which are especially pronounced in the autoencoders with a large bottleneck channel size. We hypothesize that this high-frequency component interferes with the coarse-to-fine nature of the diffusion synthesis process and hinders the generation quality. To mitigate the issue, we propose scale equivariance: a simple regularization strategy that aligns latent and RGB spaces across frequencies by enforcing scale equivariance in the decoder. It requires minimal code changes and only up to 20K autoencoder fine-tuning steps, yet significantly improves generation quality, reducing FID by 19% for image generation on ImageNet-1K 256^2 and FVD by at least 44% for video generation on Kinetics-700 17 times 256^2. The source code is available at https://github.com/snap-research/diffusability.

We consider the prediction of the Hamiltonian matrix, which finds use in quantum chemistry and condensed matter physics. Efficiency and equivariance are two important, but conflicting factors. In this work, we propose a SE(3)-equivariant network, named QHNet, that achieves efficiency and equivariance. Our key advance lies at the innovative design of QHNet architecture, which not only obeys the underlying symmetries, but also enables the reduction of number of tensor products by 92\%. In addition, QHNet prevents the exponential growth of channel dimension when more atom types are involved. We perform experiments on MD17 datasets, including four molecular systems. Experimental results show that our QHNet can achieve comparable performance to the state of the art methods at a significantly faster speed. Besides, our QHNet consumes 50\% less memory due to its streamlined architecture. Our code is publicly available as part of the AIRS library (https://github.com/divelab/AIRS).

In this paper, we develop rotation-equivariant neural networks for 4D panoptic segmentation. 4D panoptic segmentation is a recently established benchmark task for autonomous driving, which requires recognizing semantic classes and object instances on the road based on LiDAR scans, as well as assigning temporally consistent IDs to instances across time. We observe that the driving scenario is symmetric to rotations on the ground plane. Therefore, rotation-equivariance could provide better generalization and more robust feature learning. Specifically, we review the object instance clustering strategies, and restate the centerness-based approach and the offset-based approach as the prediction of invariant scalar fields and equivariant vector fields. Other sub-tasks are also unified from this perspective, and different invariant and equivariant layers are designed to facilitate their predictions. Through evaluation on the standard 4D panoptic segmentation benchmark of SemanticKITTI, we show that our equivariant models achieve higher accuracy with lower computational costs compared to their non-equivariant counterparts. Moreover, our method sets the new state-of-the-art performance and achieves 1st place on the SemanticKITTI 4D Panoptic Segmentation leaderboard.

3D shape completion methods typically assume scans are pre-aligned to a canonical frame. This leaks pose and scale cues that networks may exploit to memorize absolute positions rather than inferring intrinsic geometry. When such alignment is absent in real data, performance collapses. We argue that robust generalization demands architectural equivariance to the similarity group, SIM(3), so the model remains agnostic to pose and scale. Following this principle, we introduce the first SIM(3)-equivariant shape completion network, whose modular layers successively canonicalize features, reason over similarity-invariant geometry, and restore the original frame. Under a de-biased evaluation protocol that removes the hidden cues, our model outperforms both equivariant and augmentation baselines on the PCN benchmark. It also sets new cross-domain records on real driving and indoor scans, lowering minimal matching distance on KITTI by 17% and Chamfer distance ell1 on OmniObject3D by 14%. Perhaps surprisingly, ours under the stricter protocol still outperforms competitors under their biased settings. These results establish full SIM(3) equivariance as an effective route to truly generalizable shape completion. Project page: https://sime-completion.github.io.

Text-to-image (T2I) models are rapidly gaining popularity, yet their outputs often lack geographical diversity, reinforce stereotypes, and misrepresent regions. Given their broad reach, it is critical to rigorously evaluate how these models portray the world. Existing diversity metrics either rely on curated datasets or focus on surface-level visual similarity, limiting interpretability. We introduce GeoDiv, a framework leveraging large language and vision-language models to assess geographical diversity along two complementary axes: the Socio-Economic Visual Index (SEVI), capturing economic and condition-related cues, and the Visual Diversity Index (VDI), measuring variation in primary entities and backgrounds. Applied to images generated by models such as Stable Diffusion and FLUX.1-dev across 10 entities and 16 countries, GeoDiv reveals a consistent lack of diversity and identifies fine-grained attributes where models default to biased portrayals. Strikingly, depictions of countries like India, Nigeria, and Colombia are disproportionately impoverished and worn, reflecting underlying socio-economic biases. These results highlight the need for greater geographical nuance in generative models. GeoDiv provides the first systematic, interpretable framework for measuring such biases, marking a step toward fairer and more inclusive generative systems. Project page: https://abhipsabasu.github.io/geodiv

A key goal for the advancement of AI is to develop technologies that serve the needs not just of one group but of all communities regardless of their geographical region. In fact, a significant proportion of knowledge is locally shared by people from certain regions but may not apply equally in other regions because of cultural differences. If a model is unaware of regional characteristics, it may lead to performance disparity across regions and result in bias against underrepresented groups. We propose GIVL, a Geographically Inclusive Vision-and-Language Pre-trained model. There are two attributes of geo-diverse visual concepts which can help to learn geo-diverse knowledge: 1) concepts under similar categories have unique knowledge and visual characteristics, 2) concepts with similar visual features may fall in completely different categories. Motivated by the attributes, we design new pre-training objectives Image Knowledge Matching (IKM) and Image Edit Checking (IEC) to pre-train GIVL. Compared with similar-size models pre-trained with similar scale of data, GIVL achieves state-of-the-art (SOTA) and more balanced performance on geo-diverse V&L tasks.

How can prior knowledge on the transformation invariances of a domain be incorporated into the architecture of a neural network? We propose Equivariant Transformers (ETs), a family of differentiable image-to-image mappings that improve the robustness of models towards pre-defined continuous transformation groups. Through the use of specially-derived canonical coordinate systems, ETs incorporate functions that are equivariant by construction with respect to these transformations. We show empirically that ETs can be flexibly composed to improve model robustness towards more complicated transformation groups in several parameters. On a real-world image classification task, ETs improve the sample efficiency of ResNet classifiers, achieving relative improvements in error rate of up to 15% in the limited data regime while increasing model parameter count by less than 1%.

The trade-off between robustness and accuracy has been widely studied in the adversarial literature. Although still controversial, the prevailing view is that this trade-off is inherent, either empirically or theoretically. Thus, we dig for the origin of this trade-off in adversarial training and find that it may stem from the improperly defined robust error, which imposes an inductive bias of local invariance -- an overcorrection towards smoothness. Given this, we advocate employing local equivariance to describe the ideal behavior of a robust model, leading to a self-consistent robust error named SCORE. By definition, SCORE facilitates the reconciliation between robustness and accuracy, while still handling the worst-case uncertainty via robust optimization. By simply substituting KL divergence with variants of distance metrics, SCORE can be efficiently minimized. Empirically, our models achieve top-rank performance on RobustBench under AutoAttack. Besides, SCORE provides instructive insights for explaining the overfitting phenomenon and semantic input gradients observed on robust models. Code is available at https://github.com/P2333/SCORE.

Many social and environmental phenomena are associated with macroscopic changes in the built environment, captured by satellite imagery on a global scale and with daily temporal resolution. While widely used for prediction, these images and especially image sequences remain underutilized for causal inference, especially in the context of randomized controlled trials (RCTs), where causal identification is established by design. In this paper, we develop and compare a set of general tools for analyzing Conditional Average Treatment Effects (CATEs) from temporal satellite data that can be applied to any RCT where geographical identifiers are available. Through a simulation study, we analyze different modeling strategies for estimating CATE in sequences of satellite images. We find that image sequence representation models with more parameters generally yield a greater ability to detect heterogeneity. To explore the role of model and data choice in practice, we apply the approaches to two influential RCTs -- Banerjee et al. (2015), a poverty study in Cusco, Peru, and Bolsen et al. (2014), a water conservation experiment in Georgia, USA. We benchmark our image sequence models against image-only, tabular-only, and combined image-tabular data sources, summarizing practical implications for investigators in a multivariate analysis. Land cover classifications over satellite images facilitate interpretation of what image features drive heterogeneity. We also show robustness to data and model choice of satellite-based generalization of the RCT results to larger geographical areas outside the original. Overall, this paper shows how satellite sequence data can be incorporated into the analysis of RCTs, and provides evidence about the implications of data, model, and evaluation metric choice for causal analysis.

We address the problem of fitting a parametric human body model (SMPL) to point cloud data. Optimization-based methods require careful initialization and are prone to becoming trapped in local optima. Learning-based methods address this but do not generalize well when the input pose is far from those seen during training. For rigid point clouds, remarkable generalization has been achieved by leveraging SE(3)-equivariant networks, but these methods do not work on articulated objects. In this work we extend this idea to human bodies and propose ArtEq, a novel part-based SE(3)-equivariant neural architecture for SMPL model estimation from point clouds. Specifically, we learn a part detection network by leveraging local SO(3) invariance, and regress shape and pose using articulated SE(3) shape-invariant and pose-equivariant networks, all trained end-to-end. Our novel pose regression module leverages the permutation-equivariant property of self-attention layers to preserve rotational equivariance. Experimental results show that ArtEq generalizes to poses not seen during training, outperforming state-of-the-art methods by ~44% in terms of body reconstruction accuracy, without requiring an optimization refinement step. Furthermore, ArtEq is three orders of magnitude faster during inference than prior work and has 97.3% fewer parameters. The code and model are available for research purposes at https://arteq.is.tue.mpg.de.

Many machine learning tasks involve learning functions that are known to be invariant or equivariant to certain symmetries of the input data. However, it is often challenging to design neural network architectures that respect these symmetries while being expressive and computationally efficient. For example, Euclidean motion invariant/equivariant graph or point cloud neural networks. We introduce Frame Averaging (FA), a general purpose and systematic framework for adapting known (backbone) architectures to become invariant or equivariant to new symmetry types. Our framework builds on the well known group averaging operator that guarantees invariance or equivariance but is intractable. In contrast, we observe that for many important classes of symmetries, this operator can be replaced with an averaging operator over a small subset of the group elements, called a frame. We show that averaging over a frame guarantees exact invariance or equivariance while often being much simpler to compute than averaging over the entire group. Furthermore, we prove that FA-based models have maximal expressive power in a broad setting and in general preserve the expressive power of their backbone architectures. Using frame averaging, we propose a new class of universal Graph Neural Networks (GNNs), universal Euclidean motion invariant point cloud networks, and Euclidean motion invariant Message Passing (MP) GNNs. We demonstrate the practical effectiveness of FA on several applications including point cloud normal estimation, beyond 2-WL graph separation, and n-body dynamics prediction, achieving state-of-the-art results in all of these benchmarks.

We propose a new model for digital pathology segmentation, based on the observation that histopathology images are inherently symmetric under rotation and reflection. Utilizing recent findings on rotation equivariant CNNs, the proposed model leverages these symmetries in a principled manner. We present a visual analysis showing improved stability on predictions, and demonstrate that exploiting rotation equivariance significantly improves tumor detection performance on a challenging lymph node metastases dataset. We further present a novel derived dataset to enable principled comparison of machine learning models, in combination with an initial benchmark. Through this dataset, the task of histopathology diagnosis becomes accessible as a challenging benchmark for fundamental machine learning research.

Equivariant neural networks have shown improved performance, expressiveness and sample complexity on symmetrical domains. But for some specific symmetries, representations, and choice of coordinates, the most common point-wise activations, such as ReLU, are not equivariant, hence they cannot be employed in the design of equivariant neural networks. The theorem we present in this paper describes all possible combinations of finite-dimensional representations, choice of coordinates and point-wise activations to obtain an exactly equivariant layer, generalizing and strengthening existing characterizations. Notable cases of practical relevance are discussed as corollaries. Indeed, we prove that rotation-equivariant networks can only be invariant, as it happens for any network which is equivariant with respect to connected compact groups. Then, we discuss implications of our findings when applied to important instances of exactly equivariant networks. First, we completely characterize permutation equivariant networks such as Invariant Graph Networks with point-wise nonlinearities and their geometric counterparts, highlighting a plethora of models whose expressive power and performance are still unknown. Second, we show that feature spaces of disentangled steerable convolutional neural networks are trivial representations.

Estimating the depths of equirectangular (360) images (EIs) is challenging given the distorted 180 x 360 field-of-view, which is hard to be addressed via convolutional neural network (CNN). Although a transformer with global attention achieves significant improvements over CNN for EI depth estimation task, it is computationally inefficient, which raises the need for transformer with local attention. However, to apply local attention successfully for EIs, a specific strategy, which addresses distorted equirectangular geometry and limited receptive field simultaneously, is required. Prior works have only cared either of them, resulting in unsatisfactory depths occasionally. In this paper, we propose an equirectangular geometry-biased transformer termed EGformer, which enables local attention extraction in a global manner considering the equirectangular geometry. To achieve this, we actively utilize the equirectangular geometry as the bias for the local attention instead of struggling to reduce the distortion of EIs. As compared to the most recent transformer based EI depth estimation studies, the proposed approach yields the best depth outcomes overall with the lowest computational cost and the fewest parameters, demonstrating the effectiveness of the proposed methods.

A striking geometric disparity has long persisted in the practice of deep learning. While modern neural network architectures naturally exhibit rich symmetry and equivariance properties, popular optimizers such as Adam and its variants operate inherently coordinate-wise, rendering them unable to respect the equivariance structures of the parameter space. We address this disparity by introducing a symmetry-compatible principle for optimizer design: the gradient update rule should be equivariant under the symmetry group acting on the corresponding weight block. Following this principle, we first provide a unified perspective on bi-orthogonally equivariant updates for general matrix layers, as employed by stochastic spectral descent, Muon, Scion, and polar gradient methods. More importantly, by moving from orthogonal groups to permutation and shared-shift symmetries, we derive symmetry-compatible optimizers for parameter blocks whose symmetries differ from those of general matrix layers: embedding and LM head matrices, SwiGLU MLP projections, and MoE router matrices. These constructions include one-sided spectral, row-norm, hybrid row-norm/spectral, row-aware, column-aware, centered row-norm, and left-spectral updates. They yield an end-to-end layerwise optimizer stack in which each major matrix-valued parameter class is assigned an update whose equivariance matches its symmetry group. We corroborate this principle through pre-training experiments on dense and sparse MoE language models, including Qwen3-0.6B-style, Gemma 3 1B-style, OLMoE-1B-7B-style, and downsized gpt-oss architectures. Across these experiments, symmetry-compatible updates consistently improve final validation loss, and in several cases training stability, over corresponding AdamW updates.

Learning self-supervised representations that are invariant and equivariant to transformations is crucial for advancing beyond traditional visual classification tasks. However, many methods rely on predictor architectures to encode equivariance, despite evidence that architectural choices, such as capsule networks, inherently excel at learning interpretable pose-aware representations. To explore this, we introduce EquiCaps (Equivariant Capsule Network), a capsule-based approach to pose-aware self-supervision that eliminates the need for a specialised predictor for enforcing equivariance. Instead, we leverage the intrinsic pose-awareness capabilities of capsules to improve performance in pose estimation tasks. To further challenge our assumptions, we increase task complexity via multi-geometric transformations to enable a more thorough evaluation of invariance and equivariance by introducing 3DIEBench-T, an extension of a 3D object-rendering benchmark dataset. Empirical results demonstrate that EquiCaps outperforms prior state-of-the-art equivariant methods on rotation prediction, achieving a supervised-level R^2 of 0.78 on the 3DIEBench rotation prediction benchmark and improving upon SIE and CapsIE by 0.05 and 0.04 R^2, respectively. Moreover, in contrast to non-capsule-based equivariant approaches, EquiCaps maintains robust equivariant performance under combined geometric transformations, underscoring its generalisation capabilities and the promise of predictor-free capsule architectures.

Learning rotation-invariant distinctive features is a fundamental requirement for point cloud registration. Existing methods often use rotation-sensitive networks to extract features, while employing rotation augmentation to learn an approximate invariant mapping rudely. This makes networks fragile to rotations, overweight, and hinders the distinctiveness of features. To tackle these problems, we propose a novel position-aware rotation-equivariant network, for efficient, light-weighted, and robust registration. The network can provide a strong model inductive bias to learn rotation-equivariant/invariant features, thus addressing the aforementioned limitations. To further improve the distinctiveness of descriptors, we propose a position-aware convolution, which can better learn spatial information of local structures. Moreover, we also propose a feature-based hypothesis proposer. It leverages rotation-equivariant features that encode fine-grained structure orientations to generate reliable model hypotheses. Each correspondence can generate a hypothesis, thus it is more efficient than classic estimators that require multiple reliable correspondences. Accordingly, a contrastive rotation loss is presented to enhance the robustness of rotation-equivariant features against data degradation. Extensive experiments on indoor and outdoor datasets demonstrate that our method significantly outperforms the SOTA methods in terms of registration recall while being lightweight and keeping a fast speed. Moreover, experiments on rotated datasets demonstrate its robustness against rotation variations. Code is available at https://github.com/yaorz97/PARENet.

When manipulating three-dimensional data, it is possible to ensure that rotational and translational symmetries are respected by applying so-called SE(3)-equivariant models. Protein structure prediction is a prominent example of a task which displays these symmetries. Recent work in this area has successfully made use of an SE(3)-equivariant model, applying an iterative SE(3)-equivariant attention mechanism. Motivated by this application, we implement an iterative version of the SE(3)-Transformer, an SE(3)-equivariant attention-based model for graph data. We address the additional complications which arise when applying the SE(3)-Transformer in an iterative fashion, compare the iterative and single-pass versions on a toy problem, and consider why an iterative model may be beneficial in some problem settings. We make the code for our implementation available to the community.

Many data have an underlying dependence on spatial location; it may be weather on the Earth, a simulation on a mesh, or a registered image. Yet this feature is rarely taken advantage of, and violates common assumptions made by many neural network layers, such as translation equivariance. Further, many works that do incorporate locality fail to capture fine-grained structure. To address this, we introduce the Spatial Mixture-of-Experts (SMoE) layer, a sparsely-gated layer that learns spatial structure in the input domain and routes experts at a fine-grained level to utilize it. We also develop new techniques to train SMoEs, including a self-supervised routing loss and damping expert errors. Finally, we show strong results for SMoEs on numerous tasks, and set new state-of-the-art results for medium-range weather prediction and post-processing ensemble weather forecasts.

Group equivariant neural networks are used as building blocks of group invariant neural networks, which have been shown to improve generalisation performance and data efficiency through principled parameter sharing. Such works have mostly focused on group equivariant convolutions, building on the result that group equivariant linear maps are necessarily convolutions. In this work, we extend the scope of the literature to self-attention, that is emerging as a prominent building block of deep learning models. We propose the LieTransformer, an architecture composed of LieSelfAttention layers that are equivariant to arbitrary Lie groups and their discrete subgroups. We demonstrate the generality of our approach by showing experimental results that are competitive to baseline methods on a wide range of tasks: shape counting on point clouds, molecular property regression and modelling particle trajectories under Hamiltonian dynamics.

Multi-site neuroimaging analysis is fundamentally confounded by scanner-induced covariate shifts, where the marginal distribution of voxel intensities P(x) varies non-linearly across acquisition protocols while the conditional anatomy P(y|x) remains constant. This is particularly detrimental to radiomic reproducibility, where acquisition variance often exceeds biological pathology variance. Existing statistical harmonization methods (e.g., ComBat) operate in feature space, precluding spatial downstream tasks, while standard deep learning approaches are theoretically bounded by local effective receptive fields (ERF), failing to model the global intensity correlations characteristic of field-strength bias. We propose SA-CycleGAN-2.5D, a domain adaptation framework motivated by the HΔH-divergence bound of Ben-David et al., integrating three architectural innovations: (1) A 2.5D tri-planar manifold injection preserving through-plane gradients nabla_z at O(HW) complexity; (2) A U-ResNet generator with dense voxel-to-voxel self-attention, surpassing the O(L) receptive field limit of CNNs to model global scanner field biases; and (3) A spectrally-normalized discriminator constraining the Lipschitz constant (K_D le 1) for stable adversarial optimization. Evaluated on 654 glioma patients across two institutional domains (BraTS and UPenn-GBM), our method reduces Maximum Mean Discrepancy (MMD) by 99.1% (1.729 to 0.015) and degrades domain classifier accuracy to near-chance (59.7%). Ablation confirms that global attention is statistically essential (Cohen's d = 1.32, p < 0.001) for the harder heterogeneous-to-homogeneous translation direction. By bridging 2D efficiency and 3D consistency, our framework yields voxel-level harmonized images that preserve tumor pathophysiology, enabling reproducible multi-center radiomic analysis.

While the field of vision-language (VL) has achieved remarkable success in integrating visual and textual information across multiple languages and domains, there is still no dedicated framework for assessing human-centric alignment in vision-language systems. We offer two contributions to address this gap. First, we introduce Anthropogenic Regional Adaptation: a novel paradigm that aims to optimize model relevance to specific regional contexts while ensuring the retention of global generalization capabilities. Second, we present a simple, but effective adaptation method named Geographical-generalization-made-easy (GG-EZ), which utilizes regional data filtering and model merging. Through comprehensive experiments on 3 VL architectures: large vision-language models, text-to-image diffusion models, and vision-language embedding models, and a case study in Southeast Asia (SEA) regional adaptation, we demonstrate the importance of Anthropogenic Regional Adaptation and the effectiveness of GG-EZ, showing 5-15% gains in cultural relevance metrics across SEA while maintaining over 98% of global performance and even occasionally surpassing it. Our findings establish Anthropogenic Regional Alignment as a foundational paradigm towards applicability of multimodal vision-language models in diverse regions and demonstrate a simple-yet-effective baseline method that optimizes regional value alignment while preserving global generalization.

Vision foundation models, particularly the ViT family, have revolutionized image understanding by providing rich semantic features. However, despite their success in 2D comprehension, their abilities on grasping 3D spatial relationships are still unclear. In this work, we evaluate and enhance the 3D awareness of ViT-based models. We begin by systematically assessing their ability to learn 3D equivariant features, specifically examining the consistency of semantic embeddings across different viewpoints. Our findings indicate that improved 3D equivariance leads to better performance on various downstream tasks, including pose estimation, tracking, and semantic transfer. Building on this insight, we propose a simple yet effective finetuning strategy based on 3D correspondences, which significantly enhances the 3D correspondence understanding of existing vision models. Remarkably, even finetuning on a single object for just one iteration results in substantial performance gains. All code and resources will be made publicly available to support further advancements in 3D-aware vision models. Our code is available at https://github.com/qq456cvb/3DCorrEnhance.

The big empirical success of group equivariant networks has led in recent years to the sprouting of a great variety of equivariant network architectures. A particular focus has thereby been on rotation and reflection equivariant CNNs for planar images. Here we give a general description of E(2)-equivariant convolutions in the framework of Steerable CNNs. The theory of Steerable CNNs thereby yields constraints on the convolution kernels which depend on group representations describing the transformation laws of feature spaces. We show that these constraints for arbitrary group representations can be reduced to constraints under irreducible representations. A general solution of the kernel space constraint is given for arbitrary representations of the Euclidean group E(2) and its subgroups. We implement a wide range of previously proposed and entirely new equivariant network architectures and extensively compare their performances. E(2)-steerable convolutions are further shown to yield remarkable gains on CIFAR-10, CIFAR-100 and STL-10 when used as a drop-in replacement for non-equivariant convolutions.

Standard methods for detecting discontinuities in conditional means are not applicable to outcomes that are complex, non-Euclidean objects like distributions, networks, or covariance matrices. This article develops a nonparametric test for jumps in conditional means when outcomes lie in a non-Euclidean metric space. Using local Fr\'echet regressionx2014which generalizes standard regression to metric-space valued datax2014the method estimates a mean path on either side of a candidate cutoff, extending existing k-sample tests to a flexible regression setting. Key theoretical contributions include a central limit theorem for the local estimator of the conditional Fr\'echet variance and the asymptotic validity and consistency of the proposed test. Simulations confirm nominal size control and robust power in finite samples. Two applications demonstrate the method's value by revealing effects invisible to scalar-based tests. First, I detect a sharp change in work-from-home compositions at Washington State's income threshold for non-compete enforceability during COVID-19, highlighting remote work's role as a bargaining margin. Second, I find that countries restructure their input-output networks after losing preferential US trade access. These findings underscore that analyzing regression functions within their native metric spaces can reveal structural discontinuities that scalar summaries would miss.

Latent Diffusion Models (LDMs) are known to have an unstable generation process, where even small perturbations or shifts in the input noise can lead to significantly different outputs. This hinders their applicability in applications requiring consistent results. In this work, we redesign LDMs to enhance consistency by making them shift-equivariant. While introducing anti-aliasing operations can partially improve shift-equivariance, significant aliasing and inconsistency persist due to the unique challenges in LDMs, including 1) aliasing amplification during VAE training and multiple U-Net inferences, and 2) self-attention modules that inherently lack shift-equivariance. To address these issues, we redesign the attention modules to be shift-equivariant and propose an equivariance loss that effectively suppresses the frequency bandwidth of the features in the continuous domain. The resulting alias-free LDM (AF-LDM) achieves strong shift-equivariance and is also robust to irregular warping. Extensive experiments demonstrate that AF-LDM produces significantly more consistent results than vanilla LDM across various applications, including video editing and image-to-image translation. Code is available at: https://github.com/SingleZombie/AFLDM

Generative models are a promising tool to produce cosmological simulations but face significant challenges in scalability, physical consistency, and adherence to domain symmetries, limiting their utility as alternatives to N-body simulations. To address these limitations, we introduce a score-based generative model with an equivariant graph neural network that simulates gravitational clustering of galaxies across cosmologies starting from an informed prior, respects periodic boundaries, and scales to full galaxy counts in simulations. A novel topology-aware noise schedule, crucial for large geometric graphs, is introduced. The proposed equivariant score-based model successfully generates full-scale cosmological point clouds of up to 600,000 halos, respects periodicity and a uniform prior, and outperforms existing diffusion models in capturing clustering statistics while offering significant computational advantages. This work advances cosmology by introducing a generative model designed to closely resemble the underlying gravitational clustering of structure formation, moving closer to physically realistic and efficient simulators for the evolution of large-scale structures in the universe.

One method for obtaining generalizable solutions to machine learning tasks when presented with diverse training environments is to find invariant representations of the data. These are representations of the covariates such that the best model on top of the representation is invariant across training environments. In the context of linear Structural Equation Models (SEMs), invariant representations might allow us to learn models with out-of-distribution guarantees, i.e., models that are robust to interventions in the SEM. To address the invariant representation problem in a {\em finite sample} setting, we consider the notion of epsilon-approximate invariance. We study the following question: If a representation is approximately invariant with respect to a given number of training interventions, will it continue to be approximately invariant on a larger collection of unseen SEMs? This larger collection of SEMs is generated through a parameterized family of interventions. Inspired by PAC learning, we obtain finite-sample out-of-distribution generalization guarantees for approximate invariance that holds probabilistically over a family of linear SEMs without faithfulness assumptions. Our results show bounds that do not scale in ambient dimension when intervention sites are restricted to lie in a constant size subset of in-degree bounded nodes. We also show how to extend our results to a linear indirect observation model that incorporates latent variables.

Based on the theory of homogeneous spaces we derive geometrically optimal edge attributes to be used within the flexible message-passing framework. We formalize the notion of weight sharing in convolutional networks as the sharing of message functions over point-pairs that should be treated equally. We define equivalence classes of point-pairs that are identical up to a transformation in the group and derive attributes that uniquely identify these classes. Weight sharing is then obtained by conditioning message functions on these attributes. As an application of the theory, we develop an efficient equivariant group convolutional network for processing 3D point clouds. The theory of homogeneous spaces tells us how to do group convolutions with feature maps over the homogeneous space of positions R^3, position and orientations R^3 {times} S^2, and the group SE(3) itself. Among these, R^3 {times} S^2 is an optimal choice due to the ability to represent directional information, which R^3 methods cannot, and it significantly enhances computational efficiency compared to indexing features on the full SE(3) group. We support this claim with state-of-the-art results -- in accuracy and speed -- on five different benchmarks in 2D and 3D, including interatomic potential energy prediction, trajectory forecasting in N-body systems, and generating molecules via equivariant diffusion models.

Small sample sizes are common in many disciplines, which necessitates pooling roughly similar datasets across multiple institutions to study weak but relevant associations between images and disease outcomes. Such data often manifest shift/imbalance in covariates (i.e., secondary non-imaging data). Controlling for such nuisance variables is common within standard statistical analysis, but the ideas do not directly apply to overparameterized models. Consequently, recent work has shown how strategies from invariant representation learning provides a meaningful starting point, but the current repertoire of methods is limited to accounting for shifts/imbalances in just a couple of covariates at a time. In this paper, we show how viewing this problem from the perspective of Category theory provides a simple and effective solution that completely avoids elaborate multi-stage training pipelines that would otherwise be needed. We show the effectiveness of this approach via extensive experiments on real datasets. Further, we discuss how this style of formulation offers a unified perspective on at least 5+ distinct problem settings, from self-supervised learning to matching problems in 3D reconstruction.

Vision Transformers (ViT), when paired with large-scale pretraining, have shown remarkable performance across various computer vision tasks, primarily due to their weak inductive bias. However, while such weak inductive bias aids in pretraining scalability, this may hinder the effective adaptation of ViTs for visuo-motor control tasks as a result of the absence of control-centric inductive biases. Such absent inductive biases include spatial locality and translation equivariance bias which convolutions naturally offer. To this end, we introduce Convolution Injector (CoIn), an add-on module that injects convolutions which are rich in locality and equivariance biases into a pretrained ViT for effective adaptation in visuo-motor control. We evaluate CoIn with three distinct types of pretrained ViTs (CLIP, MVP, VC-1) across 12 varied control tasks within three separate domains (Adroit, MetaWorld, DMC), and demonstrate that CoIn consistently enhances control task performance across all experimented environments and models, validating the effectiveness of providing pretrained ViTs with control-centric biases.

This article introduces BEVPlace++, a novel, fast, and robust LiDAR global localization method for unmanned ground vehicles. It uses lightweight convolutional neural networks (CNNs) on Bird's Eye View (BEV) image-like representations of LiDAR data to achieve accurate global localization through place recognition, followed by 3-DoF pose estimation. Our detailed analyses reveal an interesting fact that CNNs are inherently effective at extracting distinctive features from LiDAR BEV images. Remarkably, keypoints of two BEV images with large translations can be effectively matched using CNN-extracted features. Building on this insight, we design a Rotation Equivariant Module (REM) to obtain distinctive features while enhancing robustness to rotational changes. A Rotation Equivariant and Invariant Network (REIN) is then developed by cascading REM and a descriptor generator, NetVLAD, to sequentially generate rotation equivariant local features and rotation invariant global descriptors. The global descriptors are used first to achieve robust place recognition, and then local features are used for accurate pose estimation. Experimental results on seven public datasets and our UGV platform demonstrate that BEVPlace++, even when trained on a small dataset (3000 frames of KITTI) only with place labels, generalizes well to unseen environments, performs consistently across different days and years, and adapts to various types of LiDAR scanners. BEVPlace++ achieves state-of-the-art performance in multiple tasks, including place recognition, loop closure detection, and global localization. Additionally, BEVPlace++ is lightweight, runs in real-time, and does not require accurate pose supervision, making it highly convenient for deployment. \revise{The source codes are publicly available at https://github.com/zjuluolun/BEVPlace2.

Generative models have shown great promise in generating 3D geometric systems, which is a fundamental problem in many natural science domains such as molecule and protein design. However, existing approaches only operate on static structures, neglecting the fact that physical systems are always dynamic in nature. In this work, we propose geometric trajectory diffusion models (GeoTDM), the first diffusion model for modeling the temporal distribution of 3D geometric trajectories. Modeling such distribution is challenging as it requires capturing both the complex spatial interactions with physical symmetries and temporal correspondence encapsulated in the dynamics. We theoretically justify that diffusion models with equivariant temporal kernels can lead to density with desired symmetry, and develop a novel transition kernel leveraging SE(3)-equivariant spatial convolution and temporal attention. Furthermore, to induce an expressive trajectory distribution for conditional generation, we introduce a generalized learnable geometric prior into the forward diffusion process to enhance temporal conditioning. We conduct extensive experiments on both unconditional and conditional generation in various scenarios, including physical simulation, molecular dynamics, and pedestrian motion. Empirical results on a wide suite of metrics demonstrate that GeoTDM can generate realistic geometric trajectories with significantly higher quality.

We study the problem of designing models for machine learning tasks defined on sets. In contrast to traditional approach of operating on fixed dimensional vectors, we consider objective functions defined on sets that are invariant to permutations. Such problems are widespread, ranging from estimation of population statistics poczos13aistats, to anomaly detection in piezometer data of embankment dams Jung15Exploration, to cosmology Ntampaka16Dynamical,Ravanbakhsh16ICML1. Our main theorem characterizes the permutation invariant functions and provides a family of functions to which any permutation invariant objective function must belong. This family of functions has a special structure which enables us to design a deep network architecture that can operate on sets and which can be deployed on a variety of scenarios including both unsupervised and supervised learning tasks. We also derive the necessary and sufficient conditions for permutation equivariance in deep models. We demonstrate the applicability of our method on population statistic estimation, point cloud classification, set expansion, and outlier detection.

Reasoning problems such as Sudoku and ARC-AGI remain challenging for neural networks. The structured problem solving architecture family of Recurrent Reasoning Models (RRMs), including Hierarchical Reasoning Model (HRM) and Tiny Recursive Model (TRM), offer a compact alternative to large language models, but currently handle symbol symmetries only implicitly via costly data augmentation. We introduce Symbol-Equivariant Recurrent Reasoning Models (SE-RRMs), which enforce permutation equivariance at the architectural level through symbol-equivariant layers, guaranteeing identical solutions under symbol or color permutations. SE-RRMs outperform prior RRMs on 9x9 Sudoku and generalize from just training on 9x9 to smaller 4x4 and larger 16x16 and 25x25 instances, to which existing RRMs cannot extrapolate. On ARC-AGI-1 and ARC-AGI-2, SE-RRMs achieve competitive performance with substantially less data augmentation and only 2 million parameters, demonstrating that explicitly encoding symmetry improves the robustness and scalability of neural reasoning. Code is available at https://github.com/ml-jku/SE-RRM.

Observational studies require adjustment for confounding factors that are correlated with both the treatment and outcome. In the setting where the observed variables are tabular quantities such as average income in a neighborhood, tools have been developed for addressing such confounding. However, in many parts of the developing world, features about local communities may be scarce. In this context, satellite imagery can play an important role, serving as a proxy for the confounding variables otherwise unobserved. In this paper, we study confounder adjustment in this non-tabular setting, where patterns or objects found in satellite images contribute to the confounder bias. Using the evaluation of anti-poverty aid programs in Africa as our running example, we formalize the challenge of performing causal adjustment with such unstructured data -- what conditions are sufficient to identify causal effects, how to perform estimation, and how to quantify the ways in which certain aspects of the unstructured image object are most predictive of the treatment decision. Via simulation, we also explore the sensitivity of satellite image-based observational inference to image resolution and to misspecification of the image-associated confounder. Finally, we apply these tools in estimating the effect of anti-poverty interventions in African communities from satellite imagery.

Equivariant Transformers such as Equiformer have demonstrated the efficacy of applying Transformers to the domain of 3D atomistic systems. However, they are still limited to small degrees of equivariant representations due to their computational complexity. In this paper, we investigate whether these architectures can scale well to higher degrees. Starting from Equiformer, we first replace SO(3) convolutions with eSCN convolutions to efficiently incorporate higher-degree tensors. Then, to better leverage the power of higher degrees, we propose three architectural improvements -- attention re-normalization, separable S^2 activation and separable layer normalization. Putting this all together, we propose EquiformerV2, which outperforms previous state-of-the-art methods on the large-scale OC20 dataset by up to 12% on forces, 4% on energies, offers better speed-accuracy trade-offs, and 2times reduction in DFT calculations needed for computing adsorption energies.

Using image models naively for solving inverse video problems often suffers from flickering, texture-sticking, and temporal inconsistency in generated videos. To tackle these problems, in this paper, we view frames as continuous functions in the 2D space, and videos as a sequence of continuous warping transformations between different frames. This perspective allows us to train function space diffusion models only on images and utilize them to solve temporally correlated inverse problems. The function space diffusion models need to be equivariant with respect to the underlying spatial transformations. To ensure temporal consistency, we introduce a simple post-hoc test-time guidance towards (self)-equivariant solutions. Our method allows us to deploy state-of-the-art latent diffusion models such as Stable Diffusion XL to solve video inverse problems. We demonstrate the effectiveness of our method for video inpainting and 8times video super-resolution, outperforming existing techniques based on noise transformations. We provide generated video results: https://giannisdaras.github.io/warped_diffusion.github.io/.

Problems involving geometric data arise in a variety of fields, including computer vision, robotics, chemistry, and physics. Such data can take numerous forms, such as points, direction vectors, planes, or transformations, but to date there is no single architecture that can be applied to such a wide variety of geometric types while respecting their symmetries. In this paper we introduce the Geometric Algebra Transformer (GATr), a general-purpose architecture for geometric data. GATr represents inputs, outputs, and hidden states in the projective geometric algebra, which offers an efficient 16-dimensional vector space representation of common geometric objects as well as operators acting on them. GATr is equivariant with respect to E(3), the symmetry group of 3D Euclidean space. As a transformer, GATr is scalable, expressive, and versatile. In experiments with n-body modeling and robotic planning, GATr shows strong improvements over non-geometric baselines.

Design of neural networks that incorporate symmetry is crucial for geometric deep learning. Central to this effort is the development of invariant and equivariant operations. This works presents a systematic method for constructing valid invariant and equivariant operations. It can handle inputs and outputs in the form of Cartesian tensors with different rank, as well as spherical tensors with different types. In addition, our method features a graphical representation utilizing the symmetric tensor network, which simplifies both the proofs and constructions related to invariant and equivariant functions. We also apply this approach to design the equivariant interaction message for the geometry graph neural network, and equivariant machine learning model to learn the constitutive law of materials.

A central question for neuroscience is how to characterize brain representations of perceptual and cognitive content. An ideal characterization should distinguish different functional regions with robustness to noise and idiosyncrasies of individual brains that do not correspond to computational differences. Previous studies have characterized brain representations by their representational geometry, which is defined by the representational dissimilarity matrix (RDM), a summary statistic that abstracts from the roles of individual neurons (or responses channels) and characterizes the discriminability of stimuli. Here we explore a further step of abstraction: from the geometry to the topology of brain representations. We propose topological representational similarity analysis (tRSA), an extension of representational similarity analysis (RSA) that uses a family of geo-topological summary statistics that generalizes the RDM to characterize the topology while de-emphasizing the geometry. We evaluate this new family of statistics in terms of the sensitivity and specificity for model selection using both simulations and functional MRI (fMRI) data. In the simulations, the ground truth is a data-generating layer representation in a neural network model and the models are the same and other layers in different model instances (trained from different random seeds). In fMRI, the ground truth is a visual area and the models are the same and other areas measured in different subjects. Results show that topology-sensitive characterizations of population codes are robust to noise and interindividual variability and maintain excellent sensitivity to the unique representational signatures of different neural network layers and brain regions.

Out-of-distribution (OOD) prediction is often approached by restricting models to causal or invariant covariates, avoiding non-causal spurious associations that may be unstable across environments. Despite its theoretical appeal, this strategy frequently underperforms empirical risk minimization (ERM) in practice. We investigate the source of this gap and show that such failures naturally arise when only a subset of the true causes of the outcome is observed. In these settings, non-causal spurious covariates can serve as informative proxies for unobserved causes and substantially improve prediction, except under distribution shifts that break these proxy relationships. Consequently, the optimal set of predictive covariates is neither universal nor necessarily exhibits invariant relationships with the outcome across all environments, but instead depends on the specific type of shift encountered. Crucially, we observe that different covariate shifts induce distinct, observable signatures in the covariate distribution itself. Moreover, these signatures can be extracted from unlabeled data in the target OOD environment and used to assess when proxy covariates remain reliable and when they fail. Building on this observation, we propose an environment-adaptive covariate selection (EACS) algorithm that maps environment-level covariate summaries to environment-specific covariate sets, while allowing the incorporation of prior causal knowledge as constraints. Across simulations and applied datasets, EACS consistently outperforms static causal, invariant, and ERM-based predictors under diverse distribution shifts.

In this paper, we establish effective equidistribution of transverse intersection points between properly immersed totally geodesic submanifolds of complementary dimensions in a finite-volume hyperbolic manifold with respect to the hyperbolic volume measure, as the volume of the submanifolds tends to infinity.

Post-disaster aid allocation in developing nations often suffers from systematic biases that disadvantage vulnerable regions, perpetuating historical inequities. This paper presents a fairness-aware artificial intelligence framework for prioritizing post-flood aid distribution in Bangladesh, a country highly susceptible to recurring flood disasters. Using real data from the 2022 Bangladesh floods that affected 7.2 million people and caused 405.5 million US dollars in damages, we develop an adversarial debiasing model that predicts flood vulnerability while actively removing biases against marginalized districts and rural areas. Our approach adapts fairness-aware representation learning techniques from healthcare AI to disaster management, employing a gradient reversal layer that forces the model to learn bias-invariant representations. Experimental results on 87 upazilas across 11 districts demonstrate that our framework reduces statistical parity difference by 41.6 percent, decreases regional fairness gaps by 43.2 percent, and maintains strong predictive accuracy (R-squared=0.784 vs baseline 0.811). The model generates actionable priority rankings ensuring aid reaches the most vulnerable populations based on genuine need rather than historical allocation patterns. This work demonstrates how algorithmic fairness techniques can be effectively applied to humanitarian contexts, providing decision-makers with tools to implement more equitable disaster recovery strategies.

We propose, implement, and compare with competitors a new architecture of equivariant neural networks based on geometric (Clifford) algebras: Generalized Lipschitz Group Equivariant Neural Networks (GLGENN). These networks are equivariant to all pseudo-orthogonal transformations, including rotations and reflections, of a vector space with any non-degenerate or degenerate symmetric bilinear form. We propose a weight-sharing parametrization technique that takes into account the fundamental structures and operations of geometric algebras. Due to this technique, GLGENN architecture is parameter-light and has less tendency to overfitting than baseline equivariant models. GLGENN outperforms or matches competitors on several benchmarking equivariant tasks, including estimation of an equivariant function and a convex hull experiment, while using significantly fewer optimizable parameters.

Symmetry learning has proven to be an effective approach for extracting the hidden structure of data, with the concept of equivariance relation playing the central role. However, most of the current studies are built on architectural theory and corresponding assumptions on the form of data. We propose Neural Fourier Transform (NFT), a general framework of learning the latent linear action of the group without assuming explicit knowledge of how the group acts on data. We present the theoretical foundations of NFT and show that the existence of a linear equivariant feature, which has been assumed ubiquitously in equivariance learning, is equivalent to the existence of a group invariant kernel on the dataspace. We also provide experimental results to demonstrate the application of NFT in typical scenarios with varying levels of knowledge about the acting group.

Graph neural networks that model 3D data, such as point clouds or atoms, are typically desired to be SO(3) equivariant, i.e., equivariant to 3D rotations. Unfortunately equivariant convolutions, which are a fundamental operation for equivariant networks, increase significantly in computational complexity as higher-order tensors are used. In this paper, we address this issue by reducing the SO(3) convolutions or tensor products to mathematically equivalent convolutions in SO(2) . This is accomplished by aligning the node embeddings' primary axis with the edge vectors, which sparsifies the tensor product and reduces the computational complexity from O(L^6) to O(L^3), where L is the degree of the representation. We demonstrate the potential implications of this improvement by proposing the Equivariant Spherical Channel Network (eSCN), a graph neural network utilizing our novel approach to equivariant convolutions, which achieves state-of-the-art results on the large-scale OC-20 and OC-22 datasets.

Cancer is the second leading cause of death, with chemotherapy as one of the primary forms of treatment. As a result, researchers are turning to drug combination therapy to decrease drug resistance and increase efficacy. Current methods of drug combination screening, such as in vivo and in vitro, are inefficient due to stark time and monetary costs. In silico methods have become increasingly important for screening drugs, but current methods are inaccurate and generalize poorly to unseen anticancer drugs. In this paper, I employ a geometric deep-learning model utilizing a graph attention network that is equivariant to 3D rotations, translations, and reflections with structural motifs. Additionally, the gene expression of cancer cell lines is utilized to classify synergistic drug combinations specific to each cell line. I compared the proposed geometric deep learning framework to current state-of-the-art (SOTA) methods, and the proposed model architecture achieved greater performance on all 12 benchmark tasks performed on the DrugComb dataset. Specifically, the proposed framework outperformed other SOTA methods by an accuracy difference greater than 28%. Based on these results, I believe that the equivariant graph attention network's capability of learning geometric data accounts for the large performance improvements. The model's ability to generalize to foreign drugs is thought to be due to the structural motifs providing a better representation of the molecule. Overall, I believe that the proposed equivariant geometric deep learning framework serves as an effective tool for virtually screening anticancer drug combinations for further validation in a wet lab environment. The code for this work is made available online at: https://github.com/WeToTheMoon/EGAT_DrugSynergy.

In this article, we study the consistency of the template estimation with the Fr\'echet mean in quotient spaces. The Fr\'echet mean in quotient spaces is often used when the observations are deformed or transformed by a group action. We show that in most cases this estimator is actually inconsistent. We exhibit a sufficient condition for this inconsistency, which amounts to the folding of the distribution of the noisy template when it is projected to the quotient space. This condition appears to be fulfilled as soon as the support of the noise is large enough. To quantify this inconsistency we provide lower and upper bounds of the bias as a function of the variability (the noise level). This shows that the consistency bias cannot be neglected when the variability increases.

Data heterogeneity in federated learning, characterized by a significant misalignment between local and global distributions, leads to divergent local optimization directions and hinders global model training. Existing studies mainly focus on optimizing local updates or global aggregation, but these indirect approaches demonstrate instability when handling highly heterogeneous data distributions, especially in scenarios where label skew and domain skew coexist. To address this, we propose a geometry-guided data generation method that centers on simulating the global embedding distribution locally. We first introduce the concept of the geometric shape of an embedding distribution and then address the challenge of obtaining global geometric shapes under privacy constraints. Subsequently, we propose GGEUR, which leverages global geometric shapes to guide the generation of new samples, enabling a closer approximation to the ideal global distribution. In single-domain scenarios, we augment samples based on global geometric shapes to enhance model generalization; in multi-domain scenarios, we further employ class prototypes to simulate the global distribution across domains. Extensive experimental results demonstrate that our method significantly enhances the performance of existing approaches in handling highly heterogeneous data, including scenarios with label skew, domain skew, and their coexistence. Code published at: https://github.com/WeiDai-David/2025CVPR_GGEUR

Earth System Models (ESM) are our main tool for projecting the impacts of climate change. However, running these models at sufficient resolution for local-scale risk-assessments is not computationally feasible. Deep learning-based super-resolution models offer a promising solution to downscale ESM outputs to higher resolutions by learning from data. Yet, due to regional variations in climatic processes, these models typically require retraining for each geographical area-demanding high-resolution observational data, which is unevenly available across the globe. This highlights the need to assess how well these models generalize across geographic regions. To address this, we introduce RainShift, a dataset and benchmark for evaluating downscaling under geographic distribution shifts. We evaluate state-of-the-art downscaling approaches including GANs and diffusion models in generalizing across data gaps between the Global North and Global South. Our findings reveal substantial performance drops in out-of-distribution regions, depending on model and geographic area. While expanding the training domain generally improves generalization, it is insufficient to overcome shifts between geographically distinct regions. We show that addressing these shifts through, for example, data alignment can improve spatial generalization. Our work advances the global applicability of downscaling methods and represents a step toward reducing inequities in access to high-resolution climate information.

In domains ranging from computer vision to natural language processing, machine learning models have been shown to exhibit stark disparities, often performing worse for members of traditionally underserved groups. One factor contributing to these performance gaps is a lack of representation in the data the models are trained on. It is often unclear, however, how to operationalize representativeness in specific applications. Here we formalize the problem of creating equitable training datasets, and propose a statistical framework for addressing this problem. We consider a setting where a model builder must decide how to allocate a fixed data collection budget to gather training data from different subgroups. We then frame dataset creation as a constrained optimization problem, in which one maximizes a function of group-specific performance metrics based on (estimated) group-specific learning rates and costs per sample. This flexible approach incorporates preferences of model-builders and other stakeholders, as well as the statistical properties of the learning task. When data collection decisions are made sequentially, we show that under certain conditions this optimization problem can be efficiently solved even without prior knowledge of the learning rates. To illustrate our approach, we conduct a simulation study of polygenic risk scores on synthetic genomic data -- an application domain that often suffers from non-representative data collection. We find that our adaptive sampling strategy outperforms several common data collection heuristics, including equal and proportional sampling, demonstrating the value of strategic dataset design for building equitable models.

In the field of algorithmic fairness, significant attention has been put on group fairness criteria, such as Demographic Parity and Equalized Odds. Nevertheless, these objectives, measured as global averages, have raised concerns about persistent local disparities between sensitive groups. In this work, we address the problem of local fairness, which ensures that the predictor is unbiased not only in terms of expectations over the whole population, but also within any subregion of the feature space, unknown at training time. To enforce this objective, we introduce ROAD, a novel approach that leverages the Distributionally Robust Optimization (DRO) framework within a fair adversarial learning objective, where an adversary tries to infer the sensitive attribute from the predictions. Using an instance-level re-weighting strategy, ROAD is designed to prioritize inputs that are likely to be locally unfair, i.e. where the adversary faces the least difficulty in reconstructing the sensitive attribute. Numerical experiments demonstrate the effectiveness of our method: it achieves Pareto dominance with respect to local fairness and accuracy for a given global fairness level across three standard datasets, and also enhances fairness generalization under distribution shift.

New geospatial foundation models introduce a new model architecture and pretraining dataset, often sampled using different notions of data diversity. Performance differences are largely attributed to the model architecture or input modalities, while the role of the pretraining dataset is rarely studied. To address this research gap, we conducted a systematic study on how the geographic composition of pretraining data affects a model's downstream performance. We created global and per-continent pretraining datasets and evaluated them on global and per-continent downstream datasets. We found that the pretraining dataset from Europe outperformed global and continent-specific pretraining datasets on both global and local downstream evaluations. To investigate the factors influencing a pretraining dataset's downstream performance, we analysed 10 pretraining datasets using diversity across continents, biomes, landcover and spectral values. We found that only spectral diversity was strongly correlated with performance, while others were weakly correlated. This finding establishes a new dimension of diversity to be accounted for when creating a high-performing pretraining dataset. We open-sourced 7 new pretraining datasets, pretrained models, and our experimental framework at https://github.com/kerner-lab/pretrain-where.

We present E(3)-Pose, a novel fast pose estimation method that jointly and explicitly models rotation equivariance and object symmetry. Our work is motivated by the challenging problem of accounting for fetal head motion during a diagnostic MRI scan. We aim to enable automatic adaptive prescription of 2D diagnostic MRI slices with 6-DoF head pose estimation, supported by 3D MRI volumes rapidly acquired before each 2D slice. Existing methods struggle to generalize to clinical volumes, due to pose ambiguities induced by inherent anatomical symmetries, as well as low resolution, noise, and artifacts. In contrast, E(3)-Pose captures anatomical symmetries and rigid pose equivariance by construction, and yields robust estimates of the fetal head pose. Our experiments on publicly available and representative clinical fetal MRI datasets demonstrate the superior robustness and generalization of our method across domains. Crucially, E(3)-Pose achieves state-of-the-art accuracy on clinical MRI volumes, paving the way for clinical translation. Our implementation is available at github.com/ramyamut/E3-Pose.

Despite the success of equivariant neural networks in scientific applications, they require knowing the symmetry group a priori. However, it may be difficult to know which symmetry to use as an inductive bias in practice. Enforcing the wrong symmetry could even hurt the performance. In this paper, we propose a framework, LieGAN, to automatically discover equivariances from a dataset using a paradigm akin to generative adversarial training. Specifically, a generator learns a group of transformations applied to the data, which preserve the original distribution and fool the discriminator. LieGAN represents symmetry as interpretable Lie algebra basis and can discover various symmetries such as the rotation group SO(n), restricted Lorentz group SO(1,3)^+ in trajectory prediction and top-quark tagging tasks. The learned symmetry can also be readily used in several existing equivariant neural networks to improve accuracy and generalization in prediction.

We develop a method to generate predictive regions that cover a multivariate response variable with a user-specified probability. Our work is composed of two components. First, we use a deep generative model to learn a representation of the response that has a unimodal distribution. Existing multiple-output quantile regression approaches are effective in such cases, so we apply them on the learned representation, and then transform the solution to the original space of the response. This process results in a flexible and informative region that can have an arbitrary shape, a property that existing methods lack. Second, we propose an extension of conformal prediction to the multivariate response setting that modifies any method to return sets with a pre-specified coverage level. The desired coverage is theoretically guaranteed in the finite-sample case for any distribution. Experiments conducted on both real and synthetic data show that our method constructs regions that are significantly smaller compared to existing techniques.

As SE(3)-equivariant graph neural networks mature as a core tool for 3D atomistic modeling, improving their efficiency, expressivity, and physical consistency has become a central challenge for large-scale applications. In this work, we introduce EquiformerV3, the third generation of the SE(3)-equivariant graph attention Transformer, designed to advance all three dimensions: efficiency, expressivity, and generality. Building on EquiformerV2, we have the following three key advances. First, we optimize the software implementation, achieving 1.75times speedup. Second, we introduce simple and effective modifications to EquiformerV2, including equivariant merged layer normalization, improved feedforward network hyper-parameters, and attention with smooth radius cutoff. Third, we propose SwiGLU-S^2 activations to incorporate many-body interactions for better theoretical expressivity and to preserve strict equivariance while reducing the complexity of sampling S^2 grids. Together, SwiGLU-S^2 activations and smooth-cutoff attention enable accurate modeling of smoothly varying potential energy surfaces (PES), generalizing EquiformerV3 to tasks requiring energy-conserving simulations and higher-order derivatives of PES. With these improvements, EquiformerV3 trained with the auxiliary task of denoising non-equilibrium structures (DeNS) achieves state-of-the-art results on OC20, OMat24, and Matbench Discovery.

Conventional urban indicators derived from censuses, surveys, and administrative records are often costly, spatially inconsistent, and slow to update. Recent geospatial foundation models enable Earth embeddings, compact satellite image representations transferable across downstream tasks, but their utility for neighborhood-scale urban monitoring remains unclear. Here, we benchmark three Earth embedding families, AlphaEarth, Prithvi, and Clay, for urban signal prediction across six U.S. metropolitan areas from 2020 to 2023. Using a unified supervised-learning framework, we predict 14 neighborhood-level indicators spanning crime, income, health, and travel behavior, and evaluate performance under four settings: global, city-wise, year-wise, and city-year. Results show that Earth embeddings capture substantial urban variation, with the highest predictive skill for outcomes more directly tied to built-environment structure, including chronic health burdens and dominant commuting modes. By contrast, indicators shaped more strongly by fine-scale behavior and local policy, such as cycling, remain difficult to infer. Predictive performance varies markedly across cities but remains comparatively stable across years, indicating strong spatial heterogeneity alongside temporal robustness. Exploratory analysis suggests that cross-city variation in predictive performance is associated with urban form in task-specific ways. Controlled dimensionality experiments show that representation efficiency is critical: compact 64-dimensional AlphaEarth embeddings remain more informative than 64-dimensional reductions of Prithvi and Clay. This study establishes a benchmark for evaluating Earth embeddings in urban remote sensing and demonstrates their potential as scalable, low-cost features for SDG-aligned neighborhood-scale urban monitoring.

Learning about the three-dimensional world from two-dimensional images is a fundamental problem in computer vision. An ideal neural network architecture for such tasks would leverage the fact that objects can be rotated and translated in three dimensions to make predictions about novel images. However, imposing SO(3)-equivariance on two-dimensional inputs is difficult because the group of three-dimensional rotations does not have a natural action on the two-dimensional plane. Specifically, it is possible that an element of SO(3) will rotate an image out of plane. We show that an algorithm that learns a three-dimensional representation of the world from two dimensional images must satisfy certain geometric consistency properties which we formulate as SO(2)-equivariance constraints. We use the induced and restricted representations of SO(2) on SO(3) to construct and classify architectures which satisfy these geometric consistency constraints. We prove that any architecture which respects said consistency constraints can be realized as an instance of our construction. We show that three previously proposed neural architectures for 3D pose prediction are special cases of our construction. We propose a new algorithm that is a learnable generalization of previously considered methods. We test our architecture on three pose predictions task and achieve SOTA results on both the PASCAL3D+ and SYMSOL pose estimation tasks.

We consider solving partial differential equations (PDEs) with Fourier neural operators (FNOs), which operate in the frequency domain. Since the laws of physics do not depend on the coordinate system used to describe them, it is desirable to encode such symmetries in the neural operator architecture for better performance and easier learning. While encoding symmetries in the physical domain using group theory has been studied extensively, how to capture symmetries in the frequency domain is under-explored. In this work, we extend group convolutions to the frequency domain and design Fourier layers that are equivariant to rotations, translations, and reflections by leveraging the equivariance property of the Fourier transform. The resulting G-FNO architecture generalizes well across input resolutions and performs well in settings with varying levels of symmetry. Our code is publicly available as part of the AIRS library (https://github.com/divelab/AIRS).

Cross-View Geo-Localisation is still a challenging task where additional modules, specific pre-processing or zooming strategies are necessary to determine accurate positions of images. Since different views have different geometries, pre-processing like polar transformation helps to merge them. However, this results in distorted images which then have to be rectified. Adding hard negatives to the training batch could improve the overall performance but with the default loss functions in geo-localisation it is difficult to include them. In this article, we present a simplified but effective architecture based on contrastive learning with symmetric InfoNCE loss that outperforms current state-of-the-art results. Our framework consists of a narrow training pipeline that eliminates the need of using aggregation modules, avoids further pre-processing steps and even increases the generalisation capability of the model to unknown regions. We introduce two types of sampling strategies for hard negatives. The first explicitly exploits geographically neighboring locations to provide a good starting point. The second leverages the visual similarity between the image embeddings in order to mine hard negative samples. Our work shows excellent performance on common cross-view datasets like CVUSA, CVACT, University-1652 and VIGOR. A comparison between cross-area and same-area settings demonstrate the good generalisation capability of our model.

Visual-Language Models (VLMs) have shown remarkable performance across various tasks, particularly in recognizing geographic information from images. However, significant challenges remain, including biases and privacy concerns. To systematically address these issues in the context of geographic information recognition, we introduce a benchmark dataset consisting of 1,200 images paired with detailed geographic metadata. Evaluating four VLMs, we find that while these models demonstrate the ability to recognize geographic information from images, achieving up to 53.8% accuracy in city prediction, they exhibit significant regional biases. Specifically, performance is substantially higher for economically developed and densely populated regions compared to less developed (-12.5%) and sparsely populated (-17.0%) areas. Moreover, the models exhibit regional biases, frequently overpredicting certain locations; for instance, they consistently predict Sydney for images taken in Australia. The strong performance of VLMs also raises privacy concerns, particularly for users who share images online without the intent of being identified. Our code and dataset are publicly available at https://github.com/uscnlp-lime/FairLocator.

In this paper, we propose a novel local descriptor-based framework, called You Only Hypothesize Once (YOHO), for the registration of two unaligned point clouds. In contrast to most existing local descriptors which rely on a fragile local reference frame to gain rotation invariance, the proposed descriptor achieves the rotation invariance by recent technologies of group equivariant feature learning, which brings more robustness to point density and noise. Meanwhile, the descriptor in YOHO also has a rotation equivariant part, which enables us to estimate the registration from just one correspondence hypothesis. Such property reduces the searching space for feasible transformations, thus greatly improves both the accuracy and the efficiency of YOHO. Extensive experiments show that YOHO achieves superior performances with much fewer needed RANSAC iterations on four widely-used datasets, the 3DMatch/3DLoMatch datasets, the ETH dataset and the WHU-TLS dataset. More details are shown in our project page: https://hpwang-whu.github.io/YOHO/.

This paper introduces a new model to learn graph neural networks equivariant to rotations, translations, reflections and permutations called E(n)-Equivariant Graph Neural Networks (EGNNs). In contrast with existing methods, our work does not require computationally expensive higher-order representations in intermediate layers while it still achieves competitive or better performance. In addition, whereas existing methods are limited to equivariance on 3 dimensional spaces, our model is easily scaled to higher-dimensional spaces. We demonstrate the effectiveness of our method on dynamical systems modelling, representation learning in graph autoencoders and predicting molecular properties.

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.

Accurate and scalable machine-learned inter-atomic potentials (MLIPs) are essential for molecular simulations ranging from drug discovery to new material design. Current state-of-the-art models enforce roto-translational symmetries through equivariant neural network architectures, a hard-wired inductive bias that can often lead to reduced flexibility, computational efficiency, and scalability. In this work, we introduce TransIP: Transformer-based Inter-Atomic Potentials, a novel training paradigm for interatomic potentials achieving symmetry compliance without explicit architectural constraints. Our approach guides a generic non-equivariant Transformer-based model to learn SO(3)-equivariance by optimizing its representations in the embedding space. Trained on the recent Open Molecules (OMol25) collection, a large and diverse molecular dataset built specifically for MLIPs and covering different types of molecules (including small organics, biomolecular fragments, and electrolyte-like species), TransIP attains comparable performance in machine-learning force fields versus state-of-the-art equivariant baselines. Further, compared to a data augmentation baseline, TransIP achieves 40% to 60% improvement in performance across varying OMol25 dataset sizes. More broadly, our work shows that learned equivariance can be a powerful and efficient alternative to equivariant or augmentation-based MLIP models.

Modeling the energy and forces of atomic systems is a fundamental problem in computational chemistry with the potential to help address many of the world's most pressing problems, including those related to energy scarcity and climate change. These calculations are traditionally performed using Density Functional Theory, which is computationally very expensive. Machine learning has the potential to dramatically improve the efficiency of these calculations from days or hours to seconds. We propose the Spherical Channel Network (SCN) to model atomic energies and forces. The SCN is a graph neural network where nodes represent atoms and edges their neighboring atoms. The atom embeddings are a set of spherical functions, called spherical channels, represented using spherical harmonics. We demonstrate, that by rotating the embeddings based on the 3D edge orientation, more information may be utilized while maintaining the rotational equivariance of the messages. While equivariance is a desirable property, we find that by relaxing this constraint in both message passing and aggregation, improved accuracy may be achieved. We demonstrate state-of-the-art results on the large-scale Open Catalyst dataset in both energy and force prediction for numerous tasks and metrics.

A collection of robust Mahalanobis distances for multivariate outlier detection is proposed, based on the notion of shrinkage. Robust intensity and scaling factors are optimally estimated to define the shrinkage. Some properties are investigated, such as affine equivariance and breakdown value. The performance of the proposal is illustrated through the comparison to other techniques from the literature, in a simulation study and with a real dataset. The behavior when the underlying distribution is heavy-tailed or skewed, shows the appropriateness of the method when we deviate from the common assumption of normality. The resulting high correct detection rates and low false detection rates in the vast majority of cases, as well as the significantly smaller computation time shows the advantages of our proposal.

Any-to-any generative models aim to enable seamless interpretation and generation across multiple modalities within a unified framework, yet their ability to preserve relationships across modalities remains uncertain. Do unified models truly achieve cross-modal coherence, or is this coherence merely perceived? To explore this, we introduce ACON, a dataset of 1,000 images (500 newly contributed) paired with captions, editing instructions, and Q&A pairs to evaluate cross-modal transfers rigorously. Using three consistency criteria-cyclic consistency, forward equivariance, and conjugated equivariance-our experiments reveal that any-to-any models do not consistently demonstrate greater cross-modal consistency than specialized models in pointwise evaluations such as cyclic consistency. However, equivariance evaluations uncover weak but observable consistency through structured analyses of the intermediate latent space enabled by multiple editing operations. We release our code and data at https://github.com/JiwanChung/ACON.

Debates about whether development projects improve living conditions persist, partly because observational estimates can be biased by incomplete adjustment and because reliable outcome data are scarce at the neighborhood level. We address both issues in a continent-scale, sector-specific evaluation of Chinese and World Bank projects across 9,899 neighborhoods in 36 African countries (2002 to 2013), representative of 88% of the population. First, we use a recent dataset that measures living conditions with a machine-learned wealth index derived from contemporaneous satellite imagery, yielding a consistent panel of 6.7 km square mosaics. Second, to strengthen identification, we proxy officials' map-based placement criteria using pre-treatment daytime satellite images and fuse these with rich tabular covariates to estimate funder- and sector-specific ATEs via inverse-probability weighting. Incorporating imagery systematically shrinks effects relative to tabular-only models, indicating prior work likely overstated benefits. On average, both donors raise wealth, with larger gains for China; sector extremes in our sample include Trade and Tourism for the World Bank (+6.27 IWI points), and Emergency Response for China (+14.32). Assignment-mechanism analyses show World Bank placement is generally more predictable from imagery alone, as well as from tabular covariates. This suggests that Chinese project placements are more driven by non-visible, political, or event-driven factors than World Bank placements. To probe residual concerns about selection on observables, we also estimate within-neighborhood (unit) fixed-effects models at a spatial resolution about 450 times finer than prior fixed effects analyses, leveraging the computer-vision-imputed IWI panels; these deliver smaller but directionally consistent effects.

In statistics, independent, identically distributed random samples do not carry a natural ordering, and their statistics are typically invariant with respect to permutations of their order. Thus, an n-sample in a space M can be considered as an element of the quotient space of M^n modulo the permutation group. The present paper takes this definition of sample space and the related concept of orbit types as a starting point for developing a geometric perspective on statistics. We aim at deriving a general mathematical setting for studying the behavior of empirical and population means in spaces ranging from smooth Riemannian manifolds to general stratified spaces. We fully describe the orbifold and path-metric structure of the sample space when M is a manifold or path-metric space, respectively. These results are non-trivial even when M is Euclidean. We show that the infinite sample space exists in a Gromov-Hausdorff type sense and coincides with the Wasserstein space of probability distributions on M. We exhibit Fr\'echet means and k-means as metric projections onto 1-skeleta or k-skeleta in Wasserstein space, and we define a new and more general notion of polymeans. This geometric characterization via metric projections applies equally to sample and population means, and we use it to establish asymptotic properties of polymeans such as consistency and asymptotic normality.

Multi-modality image fusion is a technique that combines information from different sensors or modalities, enabling the fused image to retain complementary features from each modality, such as functional highlights and texture details. However, effective training of such fusion models is challenging due to the scarcity of ground truth fusion data. To tackle this issue, we propose the Equivariant Multi-Modality imAge fusion (EMMA) paradigm for end-to-end self-supervised learning. Our approach is rooted in the prior knowledge that natural imaging responses are equivariant to certain transformations. Consequently, we introduce a novel training paradigm that encompasses a fusion module, a pseudo-sensing module, and an equivariant fusion module. These components enable the net training to follow the principles of the natural sensing-imaging process while satisfying the equivariant imaging prior. Extensive experiments confirm that EMMA yields high-quality fusion results for infrared-visible and medical images, concurrently facilitating downstream multi-modal segmentation and detection tasks. The code is available at https://github.com/Zhaozixiang1228/MMIF-EMMA.

We present a general framework for symmetrizing an arbitrary neural-network architecture and making it equivariant with respect to a given group. We build upon the proposals of Kim et al. (2023); Kaba et al. (2023) for symmetrization, and improve them by replacing their conversion of neural features into group representations, with an optimization whose loss intuitively measures the distance between group orbits. This change makes our approach applicable to a broader range of matrix groups, such as the Lorentz group O(1, 3), than these two proposals. We experimentally show our method's competitiveness on the SO(2) image classification task, and also its increased generality on the task with O(1, 3). Our implementation will be made accessible at https://github.com/tiendatnguyen-vision/Orbit-symmetrize.

We present Symphony, an E(3)-equivariant autoregressive generative model for 3D molecular geometries that iteratively builds a molecule from molecular fragments. Existing autoregressive models such as G-SchNet and G-SphereNet for molecules utilize rotationally invariant features to respect the 3D symmetries of molecules. In contrast, Symphony uses message-passing with higher-degree E(3)-equivariant features. This allows a novel representation of probability distributions via spherical harmonic signals to efficiently model the 3D geometry of molecules. We show that Symphony is able to accurately generate small molecules from the QM9 dataset, outperforming existing autoregressive models and approaching the performance of diffusion models.

Learning feature representations of geographical space is vital for any machine learning model that integrates geolocated data, spanning application domains such as remote sensing, ecology, or epidemiology. Recent work mostly embeds coordinates using sine and cosine projections based on Double Fourier Sphere (DFS) features -- these embeddings assume a rectangular data domain even on global data, which can lead to artifacts, especially at the poles. At the same time, relatively little attention has been paid to the exact design of the neural network architectures these functional embeddings are combined with. This work proposes a novel location encoder for globally distributed geographic data that combines spherical harmonic basis functions, natively defined on spherical surfaces, with sinusoidal representation networks (SirenNets) that can be interpreted as learned Double Fourier Sphere embedding. We systematically evaluate the cross-product of positional embeddings and neural network architectures across various classification and regression benchmarks and synthetic evaluation datasets. In contrast to previous approaches that require the combination of both positional encoding and neural networks to learn meaningful representations, we show that both spherical harmonics and sinusoidal representation networks are competitive on their own but set state-of-the-art performances across tasks when combined. We provide source code at www.github.com/marccoru/locationencoder

We present a comprehensive study on discrete morphological symmetries of dynamical systems, which are commonly observed in biological and artificial locomoting systems, such as legged, swimming, and flying animals/robots/virtual characters. These symmetries arise from the presence of one or more planes/axis of symmetry in the system's morphology, resulting in harmonious duplication and distribution of body parts. Significantly, we characterize how morphological symmetries extend to symmetries in the system's dynamics, optimal control policies, and in all proprioceptive and exteroceptive measurements related to the system's dynamics evolution. In the context of data-driven methods, symmetry represents an inductive bias that justifies the use of data augmentation or symmetric function approximators. To tackle this, we present a theoretical and practical framework for identifying the system's morphological symmetry group G and characterizing the symmetries in proprioceptive and exteroceptive data measurements. We then exploit these symmetries using data augmentation and G-equivariant neural networks. Our experiments on both synthetic and real-world applications provide empirical evidence of the advantageous outcomes resulting from the exploitation of these symmetries, including improved sample efficiency, enhanced generalization, and reduction of trainable parameters.

Deep networks for computer vision are not reliable when they encounter adversarial examples. In this paper, we introduce a framework that uses the dense intrinsic constraints in natural images to robustify inference. By introducing constraints at inference time, we can shift the burden of robustness from training to the inference algorithm, thereby allowing the model to adjust dynamically to each individual image's unique and potentially novel characteristics at inference time. Among different constraints, we find that equivariance-based constraints are most effective, because they allow dense constraints in the feature space without overly constraining the representation at a fine-grained level. Our theoretical results validate the importance of having such dense constraints at inference time. Our empirical experiments show that restoring feature equivariance at inference time defends against worst-case adversarial perturbations. The method obtains improved adversarial robustness on four datasets (ImageNet, Cityscapes, PASCAL VOC, and MS-COCO) on image recognition, semantic segmentation, and instance segmentation tasks. Project page is available at equi4robust.cs.columbia.edu.

Commonsense is defined as the knowledge that is shared by everyone. However, certain types of commonsense knowledge are correlated with culture and geographic locations and they are only shared locally. For example, the scenarios of wedding ceremonies vary across regions due to different customs influenced by historical and religious factors. Such regional characteristics, however, are generally omitted in prior work. In this paper, we construct a Geo-Diverse Visual Commonsense Reasoning dataset (GD-VCR) to test vision-and-language models' ability to understand cultural and geo-location-specific commonsense. In particular, we study two state-of-the-art Vision-and-Language models, VisualBERT and ViLBERT trained on VCR, a standard multimodal commonsense benchmark with images primarily from Western regions. We then evaluate how well the trained models can generalize to answering the questions in GD-VCR. We find that the performance of both models for non-Western regions including East Asia, South Asia, and Africa is significantly lower than that for Western region. We analyze the reasons behind the performance disparity and find that the performance gap is larger on QA pairs that: 1) are concerned with culture-related scenarios, e.g., weddings, religious activities, and festivals; 2) require high-level geo-diverse commonsense reasoning rather than low-order perception and recognition. Dataset and code are released at https://github.com/WadeYin9712/GD-VCR.

For more than a decade, researchers have measured progress in object recognition on ImageNet-based generalization benchmarks such as ImageNet-A, -C, and -R. Recent advances in foundation models, trained on orders of magnitude more data, have begun to saturate these standard benchmarks, but remain brittle in practice. This suggests standard benchmarks, which tend to focus on predefined or synthetic changes, may not be sufficient for measuring real world generalization. Consequently, we propose studying generalization across geography as a more realistic measure of progress using two datasets of objects from households across the globe. We conduct an extensive empirical evaluation of progress across nearly 100 vision models up to most recent foundation models. We first identify a progress gap between standard benchmarks and real-world, geographical shifts: progress on ImageNet results in up to 2.5x more progress on standard generalization benchmarks than real-world distribution shifts. Second, we study model generalization across geographies by measuring the disparities in performance across regions, a more fine-grained measure of real world generalization. We observe all models have large geographic disparities, even foundation CLIP models, with differences of 7-20% in accuracy between regions. Counter to modern intuition, we discover progress on standard benchmarks fails to improve geographic disparities and often exacerbates them: geographic disparities between the least performant models and today's best models have more than tripled. Our results suggest scaling alone is insufficient for consistent robustness to real-world distribution shifts. Finally, we highlight in early experiments how simple last layer retraining on more representative, curated data can complement scaling as a promising direction of future work, reducing geographic disparity on both benchmarks by over two-thirds.

According to the generalized Polya theorem, the Gaussian distribution on the real line is characterized by the property of equidistribution of a monomial and a linear form of independent identically distributed random variables. We give a complete description of a-adic solenoids for which an analog of this theorem is true. The proof of the main theorem is reduced to solving some functional equation in the class of continuous positive definite functions on the character group of an a-adic solenoid

Intracranial recordings have opened a unique opportunity to simultaneously measure activity across multiregional networks in the human brain. Recent works have focused on developing transformer-based neurofoundation models of such recordings that can generalize across subjects and datasets. However, these recordings exhibit highly complex spatiotemporal interactions across diverse spatial scales, from the single-channel scale to the scale of brain regions. As such, there remain critical open questions regarding how best to encode spatial information and how to design self-supervision tasks that enable the learning of brain network patterns and enhance downstream decoding performance using such high-dimensional, multiregional recordings. To allow for exploring these questions, we propose a new spatiotemporal transformer model of multiregional neural activity and a corresponding self-supervised masked latent reconstruction task, designed to enable flexibility in the spatial scale used for token encoding and masking. Applying this model on publicly available multiregional intracranial electrophysiology (iEEG) data, we demonstrate that adjusting the spatial scale for both token encoding and masked reconstruction significantly impacts downstream decoding. Further, we find that spatial encoding at larger scales than channel-level encoding, which is commonly used in existing iEEG transformer models, improves downstream decoding performance. Finally, we demonstrate that our method allows for region-level token encoding while also maintaining accurate channel-level neural reconstruction. Taken together, our modeling framework enables exploration of the spatial scales used for token encoding and masking, reveals their importance towards self-supervised pretraining of neurofoundation models of multiregional human brain activity, and enhances downstream decoding performance.

Earth observation data such as satellite imagery can, when combined with machine learning, have profound impacts on our understanding of the geography of poverty through the prediction of living conditions, especially where government-derived economic indicators are either unavailable or potentially untrustworthy. Recent work has progressed in using EO data not only to predict spatial economic outcomes, but also to explore cause and effect, an understanding which is critical for downstream policy analysis. In this review, we first document the growth of interest in EO-ML analyses in the causal space. We then trace the relationship between spatial statistics and EO-ML methods before discussing the four ways in which EO data has been used in causal ML pipelines -- (1.) poverty outcome imputation for downstream causal analysis, (2.) EO image deconfounding, (3.) EO-based treatment effect heterogeneity, and (4.) EO-based transportability analysis. We conclude by providing a workflow for how researchers can incorporate EO data in causal ML analysis going forward.

Geolocating images of a ground-level scene entails estimating the location on Earth where the picture was taken, in absence of GPS or other location metadata. Typically, methods are evaluated by measuring the Great Circle Distance (GCD) between a predicted location and ground truth. However, this measurement is limited because it only evaluates a single point, not estimates of regions or score heatmaps. This is especially important in applications to rural, wilderness and under-sampled areas, where finding the exact location may not be possible, and when used in aggregate systems that progressively narrow down locations. In this paper, we introduce a novel metric, Recall vs Area (RvA), which measures the accuracy of estimated distributions of locations. RvA treats image geolocation results similarly to document retrieval, measuring recall as a function of area: For a ranked list of (possibly non-contiguous) predicted regions, we measure the accumulated area required for the region to contain the ground truth coordinate. This produces a curve similar to a precision-recall curve, where "precision" is replaced by square kilometers area, allowing evaluation of performance for different downstream search area budgets. Following directly from this view of the problem, we then examine a simple ensembling approach to global-scale image geolocation, which incorporates information from multiple sources to help address domain shift, and can readily incorporate multiple models, attribute predictors, and data sources. We study its effectiveness by combining the geolocation models GeoEstimation and the current SOTA GeoCLIP, with attribute predictors based on ORNL LandScan and ESA-CCI Land Cover. We find significant improvements in image geolocation for areas that are under-represented in the training set, particularly non-urban areas, on both Im2GPS3k and Street View images.

Dialect differences caused by regional, social, and economic factors cause performance discrepancies for many groups of language technology users. Inclusive and equitable language technology must critically be dialect invariant, meaning that performance remains constant over dialectal shifts. Current systems often fall short of this ideal since they are designed and tested on a single dialect: Standard American English (SAE). We introduce a suite of resources for evaluating and achieving English dialect invariance. The resource is called Multi-VALUE, a controllable rule-based translation system spanning 50 English dialects and 189 unique linguistic features. Multi-VALUE maps SAE to synthetic forms of each dialect. First, we use this system to stress tests question answering, machine translation, and semantic parsing. Stress tests reveal significant performance disparities for leading models on non-standard dialects. Second, we use this system as a data augmentation technique to improve the dialect robustness of existing systems. Finally, we partner with native speakers of Chicano and Indian English to release new gold-standard variants of the popular CoQA task. To execute the transformation code, run model checkpoints, and download both synthetic and gold-standard dialectal benchmark datasets, see http://value-nlp.org.

Distance correlation is a novel class of multivariate dependence measure, taking positive values between 0 and 1, and applicable to random vectors of arbitrary dimensions, not necessarily equal. It offers several advantages over the well-known Pearson correlation coefficient, the most important is that distance correlation equals zero if and only if the random vectors are independent. There are two different estimators of the distance correlation available in the literature. The first one, proposed by Székely et al. (2007), is based on an asymptotically unbiased estimator of the distance covariance which turns out to be a V-statistic. The second one builds on an unbiased estimator of the distance covariance proposed in Székely et al. (2014), proved to be an U-statistic by Székely and Huo (2016). This study evaluates their efficiency (mean squared error) and compares computational times for both methods under different dependence structures. Under conditions of independence or near-independence, the V-estimates are biased, while the U-estimator frequently cannot be computed due to negative values. To address this challenge, a convex linear combination of the former estimators is proposed and studied, yielding good results regardless of the level of dependence.

Recent progress in panoramic image generation has underscored two critical limitations in existing approaches. First, most methods are built upon diffusion models, which are inherently ill-suited for equirectangular projection (ERP) panoramas due to the violation of the identically and independently distributed (i.i.d.) Gaussian noise assumption caused by their spherical mapping. Second, these methods often treat text-conditioned generation (text-to-panorama) and image-conditioned generation (panorama outpainting) as separate tasks, relying on distinct architectures and task-specific data. In this work, we propose a unified framework, Panoramic AutoRegressive model (PAR), which leverages masked autoregressive modeling to address these challenges. PAR avoids the i.i.d. assumption constraint and integrates text and image conditioning into a cohesive architecture, enabling seamless generation across tasks. To address the inherent discontinuity in existing generative models, we introduce circular padding to enhance spatial coherence and propose a consistency alignment strategy to improve generation quality. Extensive experiments demonstrate competitive performance in text-to-image generation and panorama outpainting tasks while showcasing promising scalability and generalization capabilities.