Daily Papers

The versatility of self-attention mechanism earned transformers great success in almost all data modalities, with limitations on the quadratic complexity and difficulty of training. To apply transformers across different data modalities, practitioners have to make specific clever data-modality-dependent constructions. In this paper, we propose Sampling Foundational Transformer (SFT) that can work on multiple data modalities (e.g., point cloud, graph, and sequence) and constraints (e.g., rotational-invariant). The existence of such model is important as contemporary foundational modeling requires operability on multiple data sources. For efficiency on large number of tokens, our model relies on our context aware sampling-without-replacement mechanism for both linear asymptotic computational complexity and real inference time gain. For efficiency, we rely on our newly discovered pseudoconvex formulation of transformer layer to increase model's convergence rate. As a model working on multiple data modalities, SFT has achieved competitive results on many benchmarks, while being faster in inference, compared to other very specialized models.

We consider the problem of learning a target function corresponding to a single hidden layer neural network, with a quadratic activation function after the first layer, and random weights. We consider the asymptotic limit where the input dimension and the network width are proportionally large. Recent work [Cui & al '23] established that linear regression provides Bayes-optimal test error to learn such a function when the number of available samples is only linear in the dimension. That work stressed the open challenge of theoretically analyzing the optimal test error in the more interesting regime where the number of samples is quadratic in the dimension. In this paper, we solve this challenge for quadratic activations and derive a closed-form expression for the Bayes-optimal test error. We also provide an algorithm, that we call GAMP-RIE, which combines approximate message passing with rotationally invariant matrix denoising, and that asymptotically achieves the optimal performance. Technically, our result is enabled by establishing a link with recent works on optimal denoising of extensive-rank matrices and on the ellipsoid fitting problem. We further show empirically that, in the absence of noise, randomly-initialized gradient descent seems to sample the space of weights, leading to zero training loss, and averaging over initialization leads to a test error equal to the Bayes-optimal one.

Modern high-scoring models of vision in the brain score competition do not stem from Vision Transformers. However, in this paper, we provide evidence against the unexpected trend of Vision Transformers (ViT) being not perceptually aligned with human visual representations by showing how a dual-stream Transformer, a CrossViT~a la Chen et al. (2021), under a joint rotationally-invariant and adversarial optimization procedure yields 2nd place in the aggregate Brain-Score 2022 competition(Schrimpf et al., 2020b) averaged across all visual categories, and at the time of the competition held 1st place for the highest explainable variance of area V4. In addition, our current Transformer-based model also achieves greater explainable variance for areas V4, IT and Behaviour than a biologically-inspired CNN (ResNet50) that integrates a frontal V1-like computation module (Dapello et al.,2020). To assess the contribution of the optimization scheme with respect to the CrossViT architecture, we perform several additional experiments on differently optimized CrossViT's regarding adversarial robustness, common corruption benchmarks, mid-ventral stimuli interpretation and feature inversion. Against our initial expectations, our family of results provides tentative support for an "All roads lead to Rome" argument enforced via a joint optimization rule even for non biologically-motivated models of vision such as Vision Transformers. Code is available at https://github.com/williamberrios/BrainScore-Transformers

Measuring the morphological parameters of galaxies is a key requirement for studying their formation and evolution. Surveys such as the Sloan Digital Sky Survey (SDSS) have resulted in the availability of very large collections of images, which have permitted population-wide analyses of galaxy morphology. Morphological analysis has traditionally been carried out mostly via visual inspection by trained experts, which is time-consuming and does not scale to large (gtrsim10^4) numbers of images. Although attempts have been made to build automated classification systems, these have not been able to achieve the desired level of accuracy. The Galaxy Zoo project successfully applied a crowdsourcing strategy, inviting online users to classify images by answering a series of questions. Unfortunately, even this approach does not scale well enough to keep up with the increasing availability of galaxy images. We present a deep neural network model for galaxy morphology classification which exploits translational and rotational symmetry. It was developed in the context of the Galaxy Challenge, an international competition to build the best model for morphology classification based on annotated images from the Galaxy Zoo project. For images with high agreement among the Galaxy Zoo participants, our model is able to reproduce their consensus with near-perfect accuracy (> 99%) for most questions. Confident model predictions are highly accurate, which makes the model suitable for filtering large collections of images and forwarding challenging images to experts for manual annotation. This approach greatly reduces the experts' workload without affecting accuracy. The application of these algorithms to larger sets of training data will be critical for analysing results from future surveys such as the LSST.

Self-supervised learning (SSL) has demonstrated remarkable success in 3D point cloud analysis, particularly through masked autoencoders (MAEs). However, existing MAE-based methods lack rotation invariance, leading to significant performance degradation when processing arbitrarily rotated point clouds in real-world scenarios. To address this limitation, we introduce Handcrafted Feature-Based Rotation-Invariant Masked Autoencoder (HFBRI-MAE), a novel framework that refines the MAE design with rotation-invariant handcrafted features to ensure stable feature learning across different orientations. By leveraging both rotation-invariant local and global features for token embedding and position embedding, HFBRI-MAE effectively eliminates rotational dependencies while preserving rich geometric structures. Additionally, we redefine the reconstruction target to a canonically aligned version of the input, mitigating rotational ambiguities. Extensive experiments on ModelNet40, ScanObjectNN, and ShapeNetPart demonstrate that HFBRI-MAE consistently outperforms existing methods in object classification, segmentation, and few-shot learning, highlighting its robustness and strong generalization ability in real-world 3D applications.

Obtaining the desired effect of drugs is highly dependent on their molecular geometries. Thus, the current prevailing paradigm focuses on 3D point-cloud atom representations, utilizing graph neural network (GNN) parametrizations, with rotational symmetries baked in via E(3) invariant layers. We prove that such models must necessarily disregard chirality, a geometric property of the molecules that cannot be superimposed on their mirror image by rotation and translation. Chirality plays a key role in determining drug safety and potency. To address this glaring issue, we introduce a novel field-based representation, proposing reference rotations that replace rotational symmetry constraints. The proposed model captures all molecular geometries including chirality, while still achieving highly competitive performance with E(3)-based methods across standard benchmarking metrics.

RNA design aims to find a sequence that folds with highest probability into a designated target structure. However, certain structures are undesignable, meaning no sequence can fold into the target structure under the default (Turner) RNA folding model. Understanding the specific local structures (i.e., "motifs") that contribute to undesignability is crucial for refining RNA folding models and determining the limits of RNA designability. Despite its importance, this problem has received very little attention, and previous efforts are neither scalable nor interpretable. We develop a new theoretical framework for motif (un-)designability, and design scalable and interpretable algorithms to identify minimal undesignable motifs within a given RNA secondary structure. Our approach establishes motif undesignability by searching for rival motifs, rather than exhaustively enumerating all (partial) sequences that could potentially fold into the motif. Furthermore, we exploit rotational invariance in RNA structures to detect, group, and reuse equivalent motifs and to construct a database of unique minimal undesignable motifs. To achieve that, we propose a loop-pair graph representation for motifs and a recursive graph isomorphism algorithm for motif equivalence. Our algorithms successfully identify 24 unique minimal undesignable motifs among 18 undesignable puzzles from the Eterna100 benchmark. Surprisingly, we also find over 350 unique minimal undesignable motifs and 663 undesignable native structures in the ArchiveII dataset, drawn from a diverse set of RNA families. Our source code is available at https://github.com/shanry/RNA-Undesign and our web server is available at http://linearfold.org/motifs.

Remote sensing object detection (RSOD) faces formidable challenges in complex visual environments. Aerial and satellite images inherently suffer from limitations such as low spatial resolution, sensor noise, blurred objects, low-light degradation, and partial occlusions. These degradation factors collectively compromise the feature discriminability in detection models, resulting in three key issues: (1) reduced contrast that hampers foreground-background separation, (2) structural discontinuities in edge representations, and (3) ambiguous feature responses caused by variations in illumination. These collectively weaken model robustness and deployment feasibility. To address these challenges, we propose LEGNet, a lightweight network that incorporates a novel edge-Gaussian aggregation (EGA) module specifically designed for low-quality remote sensing images. Our key innovation lies in the synergistic integration of Scharr operator-based edge priors with uncertainty-aware Gaussian modeling: (a) The orientation-aware Scharr filters preserve high-frequency edge details with rotational invariance; (b) The uncertainty-aware Gaussian layers probabilistically refine low-confidence features through variance estimation. This design enables precision enhancement while maintaining architectural simplicity. Comprehensive evaluations across four RSOD benchmarks (DOTA-v1.0, v1.5, DIOR-R, FAIR1M-v1.0) and a UAV-view dataset (VisDrone2019) demonstrate significant improvements. LEGNet achieves state-of-the-art performance across five benchmark datasets while ensuring computational efficiency, making it well-suited for deployment on resource-constrained edge devices in real-world remote sensing applications. The code is available at https://github.com/lwCVer/LEGNet.

In this work, we update the unsupervised machine learning (UML) step by proposing an algorithm based on ConvNeXt large model coding to improve the efficiency of unlabeled galaxy morphology classifications. The method can be summarized into three key aspects as follows: (1) a convolutional autoencoder is used for image denoising and reconstruction and the rotational invariance of the model is improved by polar coordinate extension; (2) utilizing a pre-trained convolutional neural network (CNN) named ConvNeXt for encoding the image data. The features were further compressed via a principal component analysis (PCA) dimensionality reduction; (3) adopting a bagging-based multi-model voting classification algorithm to enhance robustness. We applied this model to I-band images of a galaxy sample with I_{rm mag}< 25 in the COSMOS field. Compared to the original unsupervised method, the number of clustering groups required by the new method is reduced from 100 to 20. Finally, we managed to classify about 53\% galaxies, significantly improving the classification efficiency. To verify the validity of the morphological classification, we selected massive galaxies with M(*)>10^{10}(M(sun)) for morphological parameter tests. The corresponding rules between the classification results and the physical properties of galaxies on multiple parameter surfaces are consistent with the existing evolution model. Our method has demonstrated the feasibility of using large model encoding to classify galaxy morphology, which not only improves the efficiency of galaxy morphology classification, but also saves time and manpower. Furthermore, in comparison to the original UML model, the enhanced classification performance is more evident in qualitative analysis and has successfully surpassed a greater number of parameter tests.

Data organized in tabular format is ubiquitous in real-world applications, and users often craft tables with biased feature definitions and flexibly set prediction targets of their interests. Thus, a rapid development of a robust, effective, dataset-versatile, user-friendly tabular prediction approach is highly desired. While Gradient Boosting Decision Trees (GBDTs) and existing deep neural networks (DNNs) have been extensively utilized by professional users, they present several challenges for casual users, particularly: (i) the dilemma of model selection due to their different dataset preferences, and (ii) the need for heavy hyperparameter searching, failing which their performances are deemed inadequate. In this paper, we delve into this question: Can we develop a deep learning model that serves as a "sure bet" solution for a wide range of tabular prediction tasks, while also being user-friendly for casual users? We delve into three key drawbacks of deep tabular models, encompassing: (P1) lack of rotational variance property, (P2) large data demand, and (P3) over-smooth solution. We propose ExcelFormer, addressing these challenges through a semi-permeable attention module that effectively constrains the influence of less informative features to break the DNNs' rotational invariance property (for P1), data augmentation approaches tailored for tabular data (for P2), and attentive feedforward network to boost the model fitting capability (for P3). These designs collectively make ExcelFormer a "sure bet" solution for diverse tabular datasets. Extensive and stratified experiments conducted on real-world datasets demonstrate that our model outperforms previous approaches across diverse tabular data prediction tasks, and this framework can be friendly to casual users, offering ease of use without the heavy hyperparameter tuning.

The ability to computationally generate novel yet physically foldable protein structures could lead to new biological discoveries and new treatments targeting yet incurable diseases. Despite recent advances in protein structure prediction, directly generating diverse, novel protein structures from neural networks remains difficult. In this work, we present a new diffusion-based generative model that designs protein backbone structures via a procedure that mirrors the native folding process. We describe protein backbone structure as a series of consecutive angles capturing the relative orientation of the constituent amino acid residues, and generate new structures by denoising from a random, unfolded state towards a stable folded structure. Not only does this mirror how proteins biologically twist into energetically favorable conformations, the inherent shift and rotational invariance of this representation crucially alleviates the need for complex equivariant networks. We train a denoising diffusion probabilistic model with a simple transformer backbone and demonstrate that our resulting model unconditionally generates highly realistic protein structures with complexity and structural patterns akin to those of naturally-occurring proteins. As a useful resource, we release the first open-source codebase and trained models for protein structure diffusion.

The intrinsic rotation invariance lies at the core of matching point clouds with handcrafted descriptors. However, it is widely despised by recent deep matchers that obtain the rotation invariance extrinsically via data augmentation. As the finite number of augmented rotations can never span the continuous SO(3) space, these methods usually show instability when facing rotations that are rarely seen. To this end, we introduce RoITr, a Rotation-Invariant Transformer to cope with the pose variations in the point cloud matching task. We contribute both on the local and global levels. Starting from the local level, we introduce an attention mechanism embedded with Point Pair Feature (PPF)-based coordinates to describe the pose-invariant geometry, upon which a novel attention-based encoder-decoder architecture is constructed. We further propose a global transformer with rotation-invariant cross-frame spatial awareness learned by the self-attention mechanism, which significantly improves the feature distinctiveness and makes the model robust with respect to the low overlap. Experiments are conducted on both the rigid and non-rigid public benchmarks, where RoITr outperforms all the state-of-the-art models by a considerable margin in the low-overlapping scenarios. Especially when the rotations are enlarged on the challenging 3DLoMatch benchmark, RoITr surpasses the existing methods by at least 13 and 5 percentage points in terms of Inlier Ratio and Registration Recall, respectively.

Despite the progress on 3D point cloud deep learning, most prior works focus on learning features that are invariant to translation and point permutation, and very limited efforts have been devoted for rotation invariant property. Several recent studies achieve rotation invariance at the cost of lower accuracies. In this work, we close this gap by proposing a novel yet effective rotation invariant architecture for 3D point cloud classification and segmentation. Instead of traditional pointwise operations, we construct local triangle surfaces to capture more detailed surface structure, based on which we can extract highly expressive rotation invariant surface properties which are then integrated into an attention-augmented convolution operator named RISurConv to generate refined attention features via self-attention layers. Based on RISurConv we build an effective neural network for 3D point cloud analysis that is invariant to arbitrary rotations while maintaining high accuracy. We verify the performance on various benchmarks with supreme results obtained surpassing the previous state-of-the-art by a large margin. We achieve an overall accuracy of 96.0% (+4.7%) on ModelNet40, 93.1% (+12.8%) on ScanObjectNN, and class accuracies of 91.5% (+3.6%), 82.7% (+5.1%), and 78.5% (+9.2%) on the three categories of the FG3D dataset for the fine-grained classification task. Additionally, we achieve 81.5% (+1.0%) mIoU on ShapeNet for the segmentation task. Code is available here: https://github.com/cszyzhang/RISurConv

Creating an object detector, in computer vision, has some common challenges when initially developed based on Convolutional Neural Network (CNN) architecture. These challenges are more apparent when creating model that needs to adapt to images captured by various camera orientations, lighting conditions, and environmental changes. The availability of the initial training samples to cover all these conditions can be an enormous challenge with a time and cost burden. While the problem can exist when creating any type of object detection, some types are less common and have no pre-labeled image datasets that exists publicly. Sometime public datasets are not reliable nor comprehensive for a rare object type. Vehicle wheel is one of those example that been chosen to demonstrate the approach of creating a lighting and rotation invariant real-time detector based on YOLOv5 architecture. The objective is to provide a simple approach that could be used as a reference for developing other types of real-time object detectors.

Recent interest in point cloud analysis has led rapid progress in designing deep learning methods for 3D models. However, state-of-the-art models are not robust to rotations, which remains an unknown prior to real applications and harms the model performance. In this work, we introduce a novel Patch-wise Rotation-invariant network (PaRot), which achieves rotation invariance via feature disentanglement and produces consistent predictions for samples with arbitrary rotations. Specifically, we design a siamese training module which disentangles rotation invariance and equivariance from patches defined over different scales, e.g., the local geometry and global shape, via a pair of rotations. However, our disentangled invariant feature loses the intrinsic pose information of each patch. To solve this problem, we propose a rotation-invariant geometric relation to restore the relative pose with equivariant information for patches defined over different scales. Utilising the pose information, we propose a hierarchical module which implements intra-scale and inter-scale feature aggregation for 3D shape learning. Moreover, we introduce a pose-aware feature propagation process with the rotation-invariant relative pose information embedded. Experiments show that our disentanglement module extracts high-quality rotation-robust features and the proposed lightweight model achieves competitive results in rotated 3D object classification and part segmentation tasks. Our project page is released at: https://patchrot.github.io/.

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.

Rotation is frequently listed as a candidate for data augmentation in contrastive learning but seldom provides satisfactory improvements. We argue that this is because the rotated image is always treated as either positive or negative. The semantics of an image can be rotation-invariant or rotation-variant, so whether the rotated image is treated as positive or negative should be determined based on the content of the image. Therefore, we propose a novel augmentation strategy, adaptive Positive or Negative Data Augmentation (PNDA), in which an original and its rotated image are a positive pair if they are semantically close and a negative pair if they are semantically different. To achieve PNDA, we first determine whether rotation is positive or negative on an image-by-image basis in an unsupervised way. Then, we apply PNDA to contrastive learning frameworks. Our experiments showed that PNDA improves the performance of contrastive learning. The code is available at https://github.com/AtsuMiyai/rethinking_rotation.

While highly accelerated non-Cartesian acquisition protocols significantly reduce scan time, they often entail long reconstruction delays. Deep learning based reconstruction methods can alleviate this, but often lack stability and robustness to distribution shifts. As an alternative, we train a rotation invariant weakly convex ridge regularizer (WCRR). The resulting variational reconstruction approach is benchmarked against state of the art methods on retrospectively simulated data and (out of distribution) on prospective GoLF SPARKLING and CAIPIRINHA acquisitions. Our approach consistently outperforms widely used baselines and achieves performance comparable to Plug and Play reconstruction with a state of the art 3D DRUNet denoiser, while offering substantially improved computational efficiency and robustness to acquisition changes. In summary, WCRR unifies the strengths of principled variational methods and modern deep learning based approaches.

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.

Motion time series collected from mobile and wearable devices such as smartphones and smartwatches offer significant insights into human behavioral patterns, with wide applications in healthcare, automation, IoT, and AR/XR due to their low-power, always-on nature. However, given security and privacy concerns, building large-scale motion time series datasets remains difficult, preventing the development of pre-trained models for human activity analysis. Typically, existing models are trained and tested on the same dataset, leading to poor generalizability across variations in device location, device mounting orientation and human activity type. In this paper, we introduce UniMTS, the first unified pre-training procedure for motion time series that generalizes across diverse device latent factors and activities. Specifically, we employ a contrastive learning framework that aligns motion time series with text descriptions enriched by large language models. This helps the model learn the semantics of time series to generalize across activities. Given the absence of large-scale motion time series data, we derive and synthesize time series from existing motion skeleton data with all-joint coverage. Spatio-temporal graph networks are utilized to capture the relationships across joints for generalization across different device locations. We further design rotation-invariant augmentation to make the model agnostic to changes in device mounting orientations. Our model shows exceptional generalizability across 18 motion time series classification benchmark datasets, outperforming the best baselines by 340% in the zero-shot setting, 16.3% in the few-shot setting, and 9.2% in the full-shot setting.

In the area of fewshot anomaly detection (FSAD), efficient visual feature plays an essential role in memory bank M-based methods. However, these methods do not account for the relationship between the visual feature and its rotated visual feature, drastically limiting the anomaly detection performance. To push the limits, we reveal that rotation-invariant feature property has a significant impact in industrial-based FSAD. Specifically, we utilize graph representation in FSAD and provide a novel visual isometric invariant feature (VIIF) as anomaly measurement feature. As a result, VIIF can robustly improve the anomaly discriminating ability and can further reduce the size of redundant features stored in M by a large amount. Besides, we provide a novel model GraphCore via VIIFs that can fast implement unsupervised FSAD training and can improve the performance of anomaly detection. A comprehensive evaluation is provided for comparing GraphCore and other SOTA anomaly detection models under our proposed fewshot anomaly detection setting, which shows GraphCore can increase average AUC by 5.8%, 4.1%, 3.4%, and 1.6% on MVTec AD and by 25.5%, 22.0%, 16.9%, and 14.1% on MPDD for 1, 2, 4, and 8-shot cases, respectively.

A visual metaphor constitutes a high-order form of human creativity, employing cross-domain semantic fusion to transform abstract concepts into impactful visual rhetoric. Despite the remarkable progress of generative AI, existing models remain largely confined to pixel-level instruction alignment and surface-level appearance preservation, failing to capture the underlying abstract logic necessary for genuine metaphorical generation. To bridge this gap, we introduce the task of Visual Metaphor Transfer (VMT), which challenges models to autonomously decouple the "creative essence" from a reference image and re-materialize that abstract logic onto a user-specified target subject. We propose a cognitive-inspired, multi-agent framework that operationalizes Conceptual Blending Theory (CBT) through a novel Schema Grammar ("G"). This structured representation decouples relational invariants from specific visual entities, providing a rigorous foundation for cross-domain logic re-instantiation. Our pipeline executes VMT through a collaborative system of specialized agents: a perception agent that distills the reference into a schema, a transfer agent that maintains generic space invariance to discover apt carriers, a generation agent for high-fidelity synthesis and a hierarchical diagnostic agent that mimics a professional critic, performing closed-loop backtracking to identify and rectify errors across abstract logic, component selection, and prompt encoding. Extensive experiments and human evaluations demonstrate that our method significantly outperforms SOTA baselines in metaphor consistency, analogy appropriateness, and visual creativity, paving the way for automated high-impact creative applications in advertising and media. Source code will be made publicly available.

Reliable classification of 3D-printed objects is essential for automating post-production workflows in industrial additive manufacturing. Despite extensive automation in other stages of the printing pipeline, this task still relies heavily on manual inspection, as the set of objects to be classified can change daily, making frequent model retraining impractical. Automating the identification step is therefore critical for improving operational efficiency. A vision model that could classify any set of objects by utilizing their corresponding CAD models and avoiding retraining would be highly beneficial in this setting. To enable systematic evaluation of vision models on this task, we introduce ThingiPrint, a new publicly available dataset that pairs CAD models with real photographs of their 3D-printed counterparts. Using ThingiPrint, we benchmark a range of existing vision models on the task of 3D-printed object classification. We additionally show that contrastive fine-tuning with a rotation-invariant objective allows effective prototype-based classification of previously unseen 3D-printed objects. By relying solely on the available CAD models, this avoids the need for retraining when new objects are introduced. Experiments show that this approach outperforms standard pretrained baselines, suggesting improved generalization and practical relevance for real-world use.

Place recognition is a key module for long-term SLAM systems. Current LiDAR-based place recognition methods usually use representations of point clouds such as unordered points or range images. These methods achieve high recall rates of retrieval, but their performance may degrade in the case of view variation or scene changes. In this work, we explore the potential of a different representation in place recognition, i.e. bird's eye view (BEV) images. We observe that the structural contents of BEV images are less influenced by rotations and translations of point clouds. We validate that, without any delicate design, a simple VGGNet trained on BEV images achieves comparable performance with the state-of-the-art place recognition methods in scenes of slight viewpoint changes. For more robust place recognition, we design a rotation-invariant network called BEVPlace. We use group convolution to extract rotation-equivariant local features from the images and NetVLAD for global feature aggregation. In addition, we observe that the distance between BEV features is correlated with the geometry distance of point clouds. Based on the observation, we develop a method to estimate the position of the query cloud, extending the usage of place recognition. The experiments conducted on large-scale public datasets show that our method 1) achieves state-of-the-art performance in terms of recall rates, 2) is robust to view changes, 3) shows strong generalization ability, and 4) can estimate the positions of query point clouds. Source codes are publicly available at https://github.com/zjuluolun/BEVPlace.

Emerging from low-level vision theory, steerable filters found their counterpart in prior work on steerable convolutional neural networks equivariant to rigid transformations. In our work, we propose a steerable feed-forward learning-based approach that consists of neurons with spherical decision surfaces and operates on point clouds. Such spherical neurons are obtained by conformal embedding of Euclidean space and have recently been revisited in the context of learning representations of point sets. Focusing on 3D geometry, we exploit the isometry property of spherical neurons and derive a 3D steerability constraint. After training spherical neurons to classify point clouds in a canonical orientation, we use a tetrahedron basis to quadruplicate the neurons and construct rotation-equivariant spherical filter banks. We then apply the derived constraint to interpolate the filter bank outputs and, thus, obtain a rotation-invariant network. Finally, we use a synthetic point set and real-world 3D skeleton data to verify our theoretical findings. The code is available at https://github.com/pavlo-melnyk/steerable-3d-neurons.

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.

Extracting robust and general 3D local features is key to downstream tasks such as point cloud registration and reconstruction. Existing learning-based local descriptors are either sensitive to rotation transformations, or rely on classical handcrafted features which are neither general nor representative. In this paper, we introduce a new, yet conceptually simple, neural architecture, termed SpinNet, to extract local features which are rotationally invariant whilst sufficiently informative to enable accurate registration. A Spatial Point Transformer is first introduced to map the input local surface into a carefully designed cylindrical space, enabling end-to-end optimization with SO(2) equivariant representation. A Neural Feature Extractor which leverages the powerful point-based and 3D cylindrical convolutional neural layers is then utilized to derive a compact and representative descriptor for matching. Extensive experiments on both indoor and outdoor datasets demonstrate that SpinNet outperforms existing state-of-the-art techniques by a large margin. More critically, it has the best generalization ability across unseen scenarios with different sensor modalities. The code is available at https://github.com/QingyongHu/SpinNet.

Comprehensive panoramic scene understanding is critical for immersive applications, yet it remains challenging due to the scarcity of high-resolution, multi-task annotations. While perspective foundation models have achieved success through data scaling, directly adapting them to the panoramic domain often fails due to severe geometric distortions and coordinate system discrepancies. Furthermore, the underlying relations between diverse dense prediction tasks in spherical spaces are underexplored. To address these challenges, we propose MTPano, a robust multi-task panoramic foundation model established by a label-free training pipeline. First, to circumvent data scarcity, we leverage powerful perspective dense priors. We project panoramic images into perspective patches to generate accurate, domain-gap-free pseudo-labels using off-the-shelf foundation models, which are then re-projected to serve as patch-wise supervision. Second, to tackle the interference between task types, we categorize tasks into rotation-invariant (e.g., depth, segmentation) and rotation-variant (e.g., surface normals) groups. We introduce the Panoramic Dual BridgeNet, which disentangles these feature streams via geometry-aware modulation layers that inject absolute position and ray direction priors. To handle the distortion from equirectangular projections (ERP), we incorporate ERP token mixers followed by a dual-branch BridgeNet for interactions with gradient truncation, facilitating beneficial cross-task information sharing while blocking conflicting gradients from incompatible task attributes. Additionally, we introduce auxiliary tasks (image gradient, point map, etc.) to fertilize the cross-task learning process. Extensive experiments demonstrate that MTPano achieves state-of-the-art performance on multiple benchmarks and delivers competitive results against task-specific panoramic specialist foundation models.

Intraoperative registration of real-time ultrasound (iUS) to preoperative Magnetic Resonance Imaging (MRI) remains an unsolved problem due to severe modality-specific differences in appearance, resolution, and field-of-view. To address this, we propose a novel 3D cross-modal keypoint descriptor for MRI-iUS matching and registration. Our approach employs a patient-specific matching-by-synthesis approach, generating synthetic iUS volumes from preoperative MRI. This enables supervised contrastive training to learn a shared descriptor space. A probabilistic keypoint detection strategy is then employed to identify anatomically salient and modality-consistent locations. During training, a curriculum-based triplet loss with dynamic hard negative mining is used to learn descriptors that are i) robust to iUS artifacts such as speckle noise and limited coverage, and ii) rotation-invariant. At inference, the method detects keypoints in MR and real iUS images and identifies sparse matches, which are then used to perform rigid registration. Our approach is evaluated using 3D MRI-iUS pairs from the ReMIND dataset. Experiments show that our approach outperforms state-of-the-art keypoint matching methods across 11 patients, with an average precision of 69.8%. For image registration, our method achieves a competitive mean Target Registration Error of 2.39 mm on the ReMIND2Reg benchmark. Compared to existing iUS-MR registration approaches, our framework is interpretable, requires no manual initialization, and shows robustness to iUS field-of-view variation. Code, data and model weights are available at https://github.com/morozovdd/CrossKEY.

Polygon representation learning is essential for diverse applications, encompassing tasks such as shape coding, building pattern classification, and geographic question answering. While recent years have seen considerable advancements in this field, much of the focus has been on single polygons, overlooking the intricate inner- and inter-polygonal relationships inherent in multipolygons. To address this gap, our study introduces a comprehensive framework specifically designed for learning representations of polygonal geometries, particularly multipolygons. Central to our approach is the incorporation of a heterogeneous visibility graph, which seamlessly integrates both inner- and inter-polygonal relationships. To enhance computational efficiency and minimize graph redundancy, we implement a heterogeneous spanning tree sampling method. Additionally, we devise a rotation-translation invariant geometric representation, ensuring broader applicability across diverse scenarios. Finally, we introduce Multipolygon-GNN, a novel model tailored to leverage the spatial and semantic heterogeneity inherent in the visibility graph. Experiments on five real-world and synthetic datasets demonstrate its ability to capture informative representations for polygonal geometries. Code and data are available at https://github.com/dyu62/PolyGNN{github.com/dyu62/PolyGNN}.

In many computer vision applications, images are acquired with arbitrary or random rotations and translations, and in such setups, it is desirable to obtain semantic representations disentangled from the image orientation. Examples of such applications include semiconductor wafer defect inspection, plankton microscope images, and inference on single-particle cryo-electron microscopy (cryo-EM) micro-graphs. In this work, we propose Invariant Representation Learning with Implicit Neural Representation (IRL-INR), which uses an implicit neural representation (INR) with a hypernetwork to obtain semantic representations disentangled from the orientation of the image. We show that IRL-INR can effectively learn disentangled semantic representations on more complex images compared to those considered in prior works and show that these semantic representations synergize well with SCAN to produce state-of-the-art unsupervised clustering results.

Post-training quantization (PTQ) of large language models (LLMs) holds the promise in reducing the prohibitive computational cost at inference time. Quantization of all weight, activation and key-value (KV) cache tensors to 4-bit without significantly degrading generalizability is challenging, due to the high quantization error caused by extreme outliers in activations. To tackle this problem, we propose ResQ, a PTQ method that pushes further the state-of-the-art. By means of principal component analysis (PCA), it identifies a low-rank subspace (in practice 1/8 of the hidden dimension) in which activation variances are highest, and keep the coefficients within this subspace in high precision, e.g. 8-bit, while quantizing the rest to 4-bit. Within each subspace, invariant random rotation is applied to further suppress outliers. We show that this is a provably optimal mixed precision quantization scheme that minimizes error. With the Llama and Qwen2.5 families of models, we demonstrate that ResQ outperforms recent uniform and mixed precision PTQ methods on a variety of benchmarks, achieving up to 33\% lower perplexity on Wikitext than the next best method SpinQuant, and upto 3\times speedup over 16-bit baseline. Code is available at https://github.com/utkarsh-dmx/project-resq.

Modelling interactions is critical in learning complex dynamical systems, namely systems of interacting objects with highly non-linear and time-dependent behaviour. A large class of such systems can be formalized as geometric graphs, i.e., graphs with nodes positioned in the Euclidean space given an arbitrarily chosen global coordinate system, for instance vehicles in a traffic scene. Notwithstanding the arbitrary global coordinate system, the governing dynamics of the respective dynamical systems are invariant to rotations and translations, also known as Galilean invariance. As ignoring these invariances leads to worse generalization, in this work we propose local coordinate frames per node-object to induce roto-translation invariance to the geometric graph of the interacting dynamical system. Further, the local coordinate frames allow for a natural definition of anisotropic filtering in graph neural networks. Experiments in traffic scenes, 3D motion capture, and colliding particles demonstrate that the proposed approach comfortably outperforms the recent state-of-the-art.

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.

Relational pooling is a framework for building more expressive and permutation-invariant graph neural networks. However, there is limited understanding of the exact enhancement in the expressivity of RP and its connection with the Weisfeiler Lehman hierarchy. Starting from RP, we propose to explicitly assign labels to nodes as additional features to improve expressive power of message passing neural networks. The method is then extended to higher dimensional WL, leading to a novel k,l-WL algorithm, a more general framework than k-WL. Theoretically, we analyze the expressivity of k,l-WL with respect to k and l and unifies it with a great number of subgraph GNNs. Complexity reduction methods are also systematically discussed to build powerful and practical k,l-GNN instances. We theoretically and experimentally prove that our method is universally compatible and capable of improving the expressivity of any base GNN model. Our k,l-GNNs achieve superior performance on many synthetic and real-world datasets, which verifies the effectiveness of our framework.

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.

Language models and specialized table embedding models have recently demonstrated strong performance on many tasks over tabular data. Researchers and practitioners are keen to leverage these models in many new application contexts; but limited understanding of the strengths and weaknesses of these models, and the table representations they generate, makes the process of finding a suitable model for a given task reliant on trial and error. There is an urgent need to gain a comprehensive understanding of these models to minimize inefficiency and failures in downstream usage. To address this need, we propose Observatory, a formal framework to systematically analyze embedding representations of relational tables. Motivated both by invariants of the relational data model and by statistical considerations regarding data distributions, we define eight primitive properties, and corresponding measures to quantitatively characterize table embeddings for these properties. Based on these properties, we define an extensible framework to evaluate language and table embedding models. We collect and synthesize a suite of datasets and use Observatory to analyze nine such models. Our analysis provides insights into the strengths and weaknesses of learned representations over tables. We find, for example, that some models are sensitive to table structure such as column order, that functional dependencies are rarely reflected in embeddings, and that specialized table embedding models have relatively lower sample fidelity. Such insights help researchers and practitioners better anticipate model behaviors and select appropriate models for their downstream tasks, while guiding researchers in the development of new models.

Visual recognition models are not invariant to viewpoint changes in the 3D world, as different viewing directions can dramatically affect the predictions given the same object. Although many efforts have been devoted to making neural networks invariant to 2D image translations and rotations, viewpoint invariance is rarely investigated. As most models process images in the perspective view, it is challenging to impose invariance to 3D viewpoint changes based only on 2D inputs. Motivated by the success of adversarial training in promoting model robustness, we propose Viewpoint-Invariant Adversarial Training (VIAT) to improve viewpoint robustness of common image classifiers. By regarding viewpoint transformation as an attack, VIAT is formulated as a minimax optimization problem, where the inner maximization characterizes diverse adversarial viewpoints by learning a Gaussian mixture distribution based on a new attack GMVFool, while the outer minimization trains a viewpoint-invariant classifier by minimizing the expected loss over the worst-case adversarial viewpoint distributions. To further improve the generalization performance, a distribution sharing strategy is introduced leveraging the transferability of adversarial viewpoints across objects. Experiments validate the effectiveness of VIAT in improving the viewpoint robustness of various image classifiers based on the diversity of adversarial viewpoints generated by GMVFool.

Geometric deep learning, i.e., designing neural networks to handle the ubiquitous geometric data such as point clouds and graphs, have achieved great successes in the last decade. One critical inductive bias is that the model can maintain invariance towards various transformations such as translation, rotation, and scaling. The existing graph neural network (GNN) approaches can only maintain permutation-invariance, failing to guarantee invariance with respect to other transformations. Besides GNNs, other works design sophisticated transformation-invariant layers, which are computationally expensive and difficult to be extended. To solve this problem, we revisit why the existing neural networks cannot maintain transformation invariance when handling geometric data. Our findings show that transformation-invariant and distance-preserving initial representations are sufficient to achieve transformation invariance rather than needing sophisticated neural layer designs. Motivated by these findings, we propose Transformation Invariant Neural Networks (TinvNN), a straightforward and general framework for geometric data. Specifically, we realize transformation-invariant and distance-preserving initial point representations by modifying multi-dimensional scaling before feeding the representations into neural networks. We prove that TinvNN can strictly guarantee transformation invariance, being general and flexible enough to be combined with the existing neural networks. Extensive experimental results on point cloud analysis and combinatorial optimization demonstrate the effectiveness and general applicability of our proposed method. Based on the experimental results, we advocate that TinvNN should be considered a new starting point and an essential baseline for further studies of transformation-invariant geometric deep learning.

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.

Effective interaction modeling and behavior prediction of dynamic agents play a significant role in interactive motion planning for autonomous robots. Although existing methods have improved prediction accuracy, few research efforts have been devoted to enhancing prediction model interpretability and out-of-distribution (OOD) generalizability. This work addresses these two challenging aspects by designing a variational auto-encoder framework that integrates graph-based representations and time-sequence models to efficiently capture spatio-temporal relations between interactive agents and predict their dynamics. Our model infers dynamic interaction graphs in a latent space augmented with interpretable edge features that characterize the interactions. Moreover, we aim to enhance model interpretability and performance in OOD scenarios by disentangling the latent space of edge features, thereby strengthening model versatility and robustness. We validate our approach through extensive experiments on both simulated and real-world datasets. The results show superior performance compared to existing methods in modeling spatio-temporal relations, motion prediction, and identifying time-invariant latent features.

Local heights are arithmetic invariants used in the quadratic Chabauty method for determining the rational points on curves. We present an algorithm to compute these local heights for hyperelliptic curves at odd primes ellneq p. This algorithm significantly broadens the applicability of quadratic Chabauty to curves which were previously inaccessible due to the presence of non-trivial local heights. We provide numerous examples, including the first quadratic Chabauty computation for a curve having two primes with non-trivial local heights.

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.

Watermarking the outputs of generative models is a crucial technique for tracing copyright and preventing potential harm from AI-generated content. In this paper, we introduce a novel technique called Tree-Ring Watermarking that robustly fingerprints diffusion model outputs. Unlike existing methods that perform post-hoc modifications to images after sampling, Tree-Ring Watermarking subtly influences the entire sampling process, resulting in a model fingerprint that is invisible to humans. The watermark embeds a pattern into the initial noise vector used for sampling. These patterns are structured in Fourier space so that they are invariant to convolutions, crops, dilations, flips, and rotations. After image generation, the watermark signal is detected by inverting the diffusion process to retrieve the noise vector, which is then checked for the embedded signal. We demonstrate that this technique can be easily applied to arbitrary diffusion models, including text-conditioned Stable Diffusion, as a plug-in with negligible loss in FID. Our watermark is semantically hidden in the image space and is far more robust than watermarking alternatives that are currently deployed. Code is available at github.com/YuxinWenRick/tree-ring-watermark.

Geometric camera calibration is often required for applications that understand the perspective of the image. We propose perspective fields as a representation that models the local perspective properties of an image. Perspective Fields contain per-pixel information about the camera view, parameterized as an up vector and a latitude value. This representation has a number of advantages as it makes minimal assumptions about the camera model and is invariant or equivariant to common image editing operations like cropping, warping, and rotation. It is also more interpretable and aligned with human perception. We train a neural network to predict Perspective Fields and the predicted Perspective Fields can be converted to calibration parameters easily. We demonstrate the robustness of our approach under various scenarios compared with camera calibration-based methods and show example applications in image compositing.

We present HELMLAB, a 72-parameter analytical color space for UI design systems. The forward transform maps CIE XYZ to a perceptually-organized Lab representation through learned matrices, per-channel power compression, Fourier hue correction, and embedded Helmholtz-Kohlrausch lightness adjustment. A post-pipeline neutral correction guarantees that achromatic colors map to a=b=0 (chroma < 10^-6), and a rigid rotation of the chromatic plane improves hue-angle alignment without affecting the distance metric, which is invariant under isometries. On the COMBVD dataset (3,813 color pairs), HELMLAB achieves a STRESS of 23.22, a 20.4% reduction from CIEDE2000 (29.18). Cross-validation on He et al. 2022 and MacAdam 1974 shows competitive cross-dataset performance. The transform is invertible with round-trip errors below 10^-14. Gamut mapping, design-token export, and dark/light mode adaptation utilities are included for use in web and mobile design systems.

In novel view synthesis of scenes from multiple input views, 3D Gaussian splatting emerges as a viable alternative to existing radiance field approaches, delivering great visual quality and real-time rendering. While successful in static scenes, the present advancement of 3D Gaussian representation, however, faces challenges in dynamic scenes in terms of memory consumption and the need for numerous observations per time step, due to the onus of storing 3D Gaussian parameters per time step. In this study, we present an efficient 3D Gaussian representation tailored for dynamic scenes in which we define positions and rotations as functions of time while leaving other time-invariant properties of the static 3D Gaussian unchanged. Notably, our representation reduces memory usage, which is consistent regardless of the input sequence length. Additionally, it mitigates the risk of overfitting observed frames by accounting for temporal changes. The optimization of our Gaussian representation based on image and flow reconstruction results in a powerful framework for dynamic scene view synthesis in both monocular and multi-view cases. We obtain the highest rendering speed of 118 frames per second (FPS) at a resolution of 1352 times 1014 with a single GPU, showing the practical usability and effectiveness of our proposed method in dynamic scene rendering scenarios.

Variational algorithms require architectures that naturally constrain the optimisation space to run efficiently. In geometric quantum machine learning, one achieves this by encoding group structure into parameterised quantum circuits to include the symmetries of a problem as an inductive bias. However, constructing such circuits is challenging as a concrete guiding principle has yet to emerge. In this paper, we propose the use of spin networks, a form of directed tensor network invariant under a group transformation, to devise SU(2) equivariant quantum circuit ans\"atze -- circuits possessing spin rotation symmetry. By changing to the basis that block diagonalises SU(2) group action, these networks provide a natural building block for constructing parameterised equivariant quantum circuits. We prove that our construction is mathematically equivalent to other known constructions, such as those based on twirling and generalised permutations, but more direct to implement on quantum hardware. The efficacy of our constructed circuits is tested by solving the ground state problem of SU(2) symmetric Heisenberg models on the one-dimensional triangular lattice and on the Kagome lattice. Our results highlight that our equivariant circuits boost the performance of quantum variational algorithms, indicating broader applicability to other real-world problems.

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/.

Mimicking realistic dynamics in 3D garment animations is a challenging task due to the complex nature of multi-layered garments and the variety of outer forces involved. Existing approaches mostly focus on single-layered garments driven by only human bodies and struggle to handle general scenarios. In this paper, we propose a novel data-driven method, called LayersNet, to model garment-level animations as particle-wise interactions in a micro physics system. We improve simulation efficiency by representing garments as patch-level particles in a two-level structural hierarchy. Moreover, we introduce a novel Rotation Equivalent Transformation that leverages the rotation invariance and additivity of physics systems to better model outer forces. To verify the effectiveness of our approach and bridge the gap between experimental environments and real-world scenarios, we introduce a new challenging dataset, D-LAYERS, containing 700K frames of dynamics of 4,900 different combinations of multi-layered garments driven by both human bodies and randomly sampled wind. Our experiments show that LayersNet achieves superior performance both quantitatively and qualitatively. We will make the dataset and code publicly available at https://mmlab-ntu.github.io/project/layersnet/index.html .

We propose Parabolic Position Encoding (PaPE), a parabola-based position encoding for vision modalities in attention-based architectures. Given a set of vision tokens-such as images, point clouds, videos, or event camera streams-our objective is to encode their positions while accounting for the characteristics of vision modalities. Prior works have largely extended position encodings from 1D-sequences in language to nD-structures in vision, but only with partial account of vision characteristics. We address this gap by designing PaPE from principles distilled from prior work: translation invariance, rotation invariance (PaPE-RI), distance decay, directionality, and context awareness. We evaluate PaPE on 8 datasets that span 4 modalities. We find that either PaPE or PaPE-RI achieves the top performance on 7 out of 8 datasets. Extrapolation experiments on ImageNet-1K show that PaPE extrapolates remarkably well, improving in absolute terms by up to 10.5% over the next-best position encoding. Code is available at https://github.com/DTU-PAS/parabolic-position-encoding.

We propose a fast and simple explainable AI (XAI) method for point cloud data. It computes pointwise importance with respect to a trained network downstream task. This allows better understanding of the network properties, which is imperative for safety-critical applications. In addition to debugging and visualization, our low computational complexity facilitates online feedback to the network at inference. This can be used to reduce uncertainty and to increase robustness. In this work, we introduce Feature Based Interpretability (FBI), where we compute the features' norm, per point, before the bottleneck. We analyze the use of gradients and post- and pre-bottleneck strategies, showing pre-bottleneck is preferred, in terms of smoothness and ranking. We obtain at least three orders of magnitude speedup, compared to current XAI methods, thus, scalable for big point clouds or large-scale architectures. Our approach achieves SOTA results, in terms of classification explainability. We demonstrate how the proposed measure is helpful in analyzing and characterizing various aspects of 3D learning, such as rotation invariance, robustness to out-of-distribution (OOD) outliers or domain shift and dataset bias.

Despite significant advances in image anomaly detection and segmentation, few methods use 3D information. We utilize a recently introduced 3D anomaly detection dataset to evaluate whether or not using 3D information is a lost opportunity. First, we present a surprising finding: standard color-only methods outperform all current methods that are explicitly designed to exploit 3D information. This is counter-intuitive as even a simple inspection of the dataset shows that color-only methods are insufficient for images containing geometric anomalies. This motivates the question: how can anomaly detection methods effectively use 3D information? We investigate a range of shape representations including hand-crafted and deep-learning-based; we demonstrate that rotation invariance plays the leading role in the performance. We uncover a simple 3D-only method that beats all recent approaches while not using deep learning, external pre-training datasets, or color information. As the 3D-only method cannot detect color and texture anomalies, we combine it with color-based features, significantly outperforming previous state-of-the-art. Our method, dubbed BTF (Back to the Feature) achieves pixel-wise ROCAUC: 99.3% and PRO: 96.4% on MVTec 3D-AD.

Despite the widespread application of latent factor analysis, existing methods suffer from the following weaknesses: requiring the number of factors to be known, lack of theoretical guarantees for learning the model structure, and nonidentifiability of the parameters due to rotation invariance properties of the likelihood. We address these concerns by proposing a fast correlation thresholding (CT) algorithm that simultaneously learns the number of latent factors and a rotationally identifiable model structure. Our novel approach translates this structure learning problem into the search for so-called independent maximal cliques in a thresholded correlation graph that can be easily constructed from the observed data. Our clique analysis technique scales well up to thousands of variables, while competing methods are not applicable in a reasonable amount of running time. We establish a finite-sample error bound and high-dimensional consistency for the structure learning of our method. Through a series of simulation studies and a real data example, we show that the CT algorithm is an accurate method for learning the structure of factor analysis models and is robust to violations of its assumptions.

Much of the success of deep learning is drawn from building architectures that properly respect underlying symmetry and structure in the data on which they operate - a set of considerations that have been united under the banner of geometric deep learning. Often problems in the physical sciences deal with relatively small sets of points in two- or three-dimensional space wherein translation, rotation, and permutation equivariance are important or even vital for models to be useful in practice. In this work, we present rotation- and permutation-equivariant architectures for deep learning on these small point clouds, composed of a set of products of terms from the geometric algebra and reductions over those products using an attention mechanism. The geometric algebra provides valuable mathematical structure by which to combine vector, scalar, and other types of geometric inputs in a systematic way to account for rotation invariance or covariance, while attention yields a powerful way to impose permutation equivariance. We demonstrate the usefulness of these architectures by training models to solve sample problems relevant to physics, chemistry, and biology.

Point cloud registration approaches often fail when the overlap between point clouds is low due to noisy point correspondences. This work introduces a novel cross-attention mechanism tailored for Transformer-based architectures that tackles this problem, by fusing information from coordinates and features at the super-point level between point clouds. This formulation has remained unexplored primarily because it must guarantee rotation and translation invariance since point clouds reside in different and independent reference frames. We integrate the Gromov-Wasserstein distance into the cross-attention formulation to jointly compute distances between points across different point clouds and account for their geometric structure. By doing so, points from two distinct point clouds can attend to each other under arbitrary rigid transformations. At the point level, we also devise a self-attention mechanism that aggregates the local geometric structure information into point features for fine matching. Our formulation boosts the number of inlier correspondences, thereby yielding more precise registration results compared to state-of-the-art approaches. We have conducted an extensive evaluation on 3DMatch, 3DLoMatch, KITTI, and 3DCSR datasets.

Self-supervised learning converts raw perceptual data such as images to a compact space where simple Euclidean distances measure meaningful variations in data. In this paper, we extend this formulation by adding additional geometric structure to the embedding space by enforcing transformations of input space to correspond to simple (i.e., linear) transformations of embedding space. Specifically, in the contrastive learning setting, we introduce an equivariance objective and theoretically prove that its minima forces augmentations on input space to correspond to rotations on the spherical embedding space. We show that merely combining our equivariant loss with a non-collapse term results in non-trivial representations, without requiring invariance to data augmentations. Optimal performance is achieved by also encouraging approximate invariance, where input augmentations correspond to small rotations. Our method, CARE: Contrastive Augmentation-induced Rotational Equivariance, leads to improved performance on downstream tasks, and ensures sensitivity in embedding space to important variations in data (e.g., color) that standard contrastive methods do not achieve. Code is available at https://github.com/Sharut/CARE.

Aims: The aim of the present study is to explore how to disentangle energy-dependent time delays due to a possible Lorentz invariance violation (LIV) at Planck scale from intrinsic delays expected in standard blazar flares. Methods: We first characterise intrinsic time delays in BL Lacs and Flat Spectrum Radio Quasars in standard one-zone time-dependent synchrotron self-Compton or external Compton models, during flares produced by particle acceleration and cooling processes. We simulate families of flares with both intrinsic and external LIV-induced energy-dependent delays. Discrimination between intrinsic and LIV delays is then investigated in two different ways. A technique based on Euclidean distance calculation between delays obtained in the synchrotron and in the inverse-Compton spectral bumps is used to assess their degree of correlation. A complementary study is performed using spectral hardness versus intensity diagrams in both energy ranges. Results: We show that the presence of non-negligible LIV effects, which essentially act only at very high energies (VHE), can drastically reduce the strong correlation expected between the X-ray and the VHE gamma-ray emission in leptonic scenarios. The LIV phenomenon can then be hinted at measuring the Euclidean distance d_{E} from simultaneous X-ray and gamma-ray flare monitoring. Large values of minimal distance d_{E,min} would directly indicate the influence of non-intrinsic time delays possibly due to LIV in SSC flares. LIV effects can also significantly modify the VHE hysteresis patterns in hardness-intensity diagrams and even change their direction of rotation as compared to the X-ray behaviour. Both observables could be used to discriminate between LIV and intrinsic delays, provided high quality flare observations are available.

This work investigates the fundamental fragility of state-of-the-art Vision-Language Models (VLMs) under basic geometric transformations. While modern VLMs excel at semantic tasks such as recognizing objects in canonical orientations and describing complex scenes, they exhibit systematic failures at a more fundamental level: lack of robust spatial invariance and equivariance required to reliably determine object identity under simple rotations, scaling, and identity transformations. We demonstrate this limitation through a systematic evaluation across diverse visual domains, including symbolic sketches, natural photographs, and abstract art. Performance drops sharply as semantic content becomes sparse, and this behavior is observed across architectures, model capacities, and prompting strategies. Overall, our results reveal a systematic gap between semantic understanding and spatial reasoning in current VLMs, highlighting the need for stronger geometric grounding in future multimodal systems.

Convolutional Neural Networks define an exceptionally powerful class of models, but are still limited by the lack of ability to be spatially invariant to the input data in a computationally and parameter efficient manner. In this work we introduce a new learnable module, the Spatial Transformer, which explicitly allows the spatial manipulation of data within the network. This differentiable module can be inserted into existing convolutional architectures, giving neural networks the ability to actively spatially transform feature maps, conditional on the feature map itself, without any extra training supervision or modification to the optimisation process. We show that the use of spatial transformers results in models which learn invariance to translation, scale, rotation and more generic warping, resulting in state-of-the-art performance on several benchmarks, and for a number of classes of transformations.

Generating the periodic structure of stable materials is a long-standing challenge for the material design community. This task is difficult because stable materials only exist in a low-dimensional subspace of all possible periodic arrangements of atoms: 1) the coordinates must lie in the local energy minimum defined by quantum mechanics, and 2) global stability also requires the structure to follow the complex, yet specific bonding preferences between different atom types. Existing methods fail to incorporate these factors and often lack proper invariances. We propose a Crystal Diffusion Variational Autoencoder (CDVAE) that captures the physical inductive bias of material stability. By learning from the data distribution of stable materials, the decoder generates materials in a diffusion process that moves atomic coordinates towards a lower energy state and updates atom types to satisfy bonding preferences between neighbors. Our model also explicitly encodes interactions across periodic boundaries and respects permutation, translation, rotation, and periodic invariances. We significantly outperform past methods in three tasks: 1) reconstructing the input structure, 2) generating valid, diverse, and realistic materials, and 3) generating materials that optimize a specific property. We also provide several standard datasets and evaluation metrics for the broader machine learning community.

This paper studies a machine learning regression problem as a multivariate approximation problem using the framework of the theory of random functions. An ab initio derivation of a regression method is proposed, starting from postulates of indifference. It is shown that if a probability measure on an infinite-dimensional function space possesses natural symmetries (invariance under translation, rotation, scaling, and Gaussianity), then the entire solution scheme, including the kernel form, the type of regularization, and the noise parameterization, follows analytically from these postulates. The resulting kernel coincides with a generalized polyharmonic spline; however, unlike existing approaches, it is not chosen empirically but arises as a consequence of the indifference principle. This result provides a theoretical foundation for a broad class of smoothing and interpolation methods, demonstrating their optimality in the absence of a priori information.

Crystal Structure Prediction (CSP) is crucial in various scientific disciplines. While CSP can be addressed by employing currently-prevailing generative models (e.g. diffusion models), this task encounters unique challenges owing to the symmetric geometry of crystal structures -- the invariance of translation, rotation, and periodicity. To incorporate the above symmetries, this paper proposes DiffCSP, a novel diffusion model to learn the structure distribution from stable crystals. To be specific, DiffCSP jointly generates the lattice and atom coordinates for each crystal by employing a periodic-E(3)-equivariant denoising model, to better model the crystal geometry. Notably, different from related equivariant generative approaches, DiffCSP leverages fractional coordinates other than Cartesian coordinates to represent crystals, remarkably promoting the diffusion and the generation process of atom positions. Extensive experiments verify that our DiffCSP significantly outperforms existing CSP methods, with a much lower computation cost in contrast to DFT-based methods. Moreover, the superiority of DiffCSP is also observed when it is extended for ab initio crystal generation.

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