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SubscribeCrystal Structure Prediction by Joint Equivariant Diffusion
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.
Sound Event Localization and Detection of Overlapping Sources Using Convolutional Recurrent Neural Networks
In this paper, we propose a convolutional recurrent neural network for joint sound event localization and detection (SELD) of multiple overlapping sound events in three-dimensional (3D) space. The proposed network takes a sequence of consecutive spectrogram time-frames as input and maps it to two outputs in parallel. As the first output, the sound event detection (SED) is performed as a multi-label classification task on each time-frame producing temporal activity for all the sound event classes. As the second output, localization is performed by estimating the 3D Cartesian coordinates of the direction-of-arrival (DOA) for each sound event class using multi-output regression. The proposed method is able to associate multiple DOAs with respective sound event labels and further track this association with respect to time. The proposed method uses separately the phase and magnitude component of the spectrogram calculated on each audio channel as the feature, thereby avoiding any method- and array-specific feature extraction. The method is evaluated on five Ambisonic and two circular array format datasets with different overlapping sound events in anechoic, reverberant and real-life scenarios. The proposed method is compared with two SED, three DOA estimation, and one SELD baselines. The results show that the proposed method is generic and applicable to any array structures, robust to unseen DOA values, reverberation, and low SNR scenarios. The proposed method achieved a consistently higher recall of the estimated number of DOAs across datasets in comparison to the best baseline. Additionally, this recall was observed to be significantly better than the best baseline method for a higher number of overlapping sound events.
Towards Physical Understanding in Video Generation: A 3D Point Regularization Approach
We present a novel video generation framework that integrates 3-dimensional geometry and dynamic awareness. To achieve this, we augment 2D videos with 3D point trajectories and align them in pixel space. The resulting 3D-aware video dataset, PointVid, is then used to fine-tune a latent diffusion model, enabling it to track 2D objects with 3D Cartesian coordinates. Building on this, we regularize the shape and motion of objects in the video to eliminate undesired artifacts, \eg, nonphysical deformation. Consequently, we enhance the quality of generated RGB videos and alleviate common issues like object morphing, which are prevalent in current video models due to a lack of shape awareness. With our 3D augmentation and regularization, our model is capable of handling contact-rich scenarios such as task-oriented videos. These videos involve complex interactions of solids, where 3D information is essential for perceiving deformation and contact. Furthermore, our model improves the overall quality of video generation by promoting the 3D consistency of moving objects and reducing abrupt changes in shape and motion.
Self-supervised Video Representation Learning by Uncovering Spatio-temporal Statistics
This paper proposes a novel pretext task to address the self-supervised video representation learning problem. Specifically, given an unlabeled video clip, we compute a series of spatio-temporal statistical summaries, such as the spatial location and dominant direction of the largest motion, the spatial location and dominant color of the largest color diversity along the temporal axis, etc. Then a neural network is built and trained to yield the statistical summaries given the video frames as inputs. In order to alleviate the learning difficulty, we employ several spatial partitioning patterns to encode rough spatial locations instead of exact spatial Cartesian coordinates. Our approach is inspired by the observation that human visual system is sensitive to rapidly changing contents in the visual field, and only needs impressions about rough spatial locations to understand the visual contents. To validate the effectiveness of the proposed approach, we conduct extensive experiments with four 3D backbone networks, i.e., C3D, 3D-ResNet, R(2+1)D and S3D-G. The results show that our approach outperforms the existing approaches across these backbone networks on four downstream video analysis tasks including action recognition, video retrieval, dynamic scene recognition, and action similarity labeling. The source code is publicly available at: https://github.com/laura-wang/video_repres_sts.
Dynamic Modeling and Vibration Analysis of Large Deployable Mesh Reflectors
Large deployable mesh reflectors are essential for space applications, providing precise reflecting surfaces for high-gain antennas used in satellite communications, Earth observation, and deep-space missions. During on-orbit missions, active shape adjustment and attitude control are crucial for maintaining surface accuracy and proper orientation for these reflectors, ensuring optimal performance. Preventing resonance through thorough dynamic modeling and vibration analysis is vital to avoid structural damage and ensure stability and reliability. Existing dynamic modeling approaches, such as wave and finite element methods, often fail to accurately predict dynamic responses due to the limited capability of handling three-dimensional reflectors or the oversimplification of cable members of a reflector. This paper proposes the Cartesian spatial discretization method for dynamic modeling and vibration analysis of cable-network structures in large deployable mesh reflectors. This method defines cable member positions as a summation of internal and boundary-induced terms within a global Cartesian coordinate system. Numerical simulation on a two-dimensional cable-network structure and a center-feed mesh reflector demonstrates the superiority of the proposed method over traditional approaches, highlighting its accuracy and versatility, and establishing it as a robust tool for analyzing three-dimensional complex reflector configurations.
Fourier Contour Embedding for Arbitrary-Shaped Text Detection
One of the main challenges for arbitrary-shaped text detection is to design a good text instance representation that allows networks to learn diverse text geometry variances. Most of existing methods model text instances in image spatial domain via masks or contour point sequences in the Cartesian or the polar coordinate system. However, the mask representation might lead to expensive post-processing, while the point sequence one may have limited capability to model texts with highly-curved shapes. To tackle these problems, we model text instances in the Fourier domain and propose one novel Fourier Contour Embedding (FCE) method to represent arbitrary shaped text contours as compact signatures. We further construct FCENet with a backbone, feature pyramid networks (FPN) and a simple post-processing with the Inverse Fourier Transformation (IFT) and Non-Maximum Suppression (NMS). Different from previous methods, FCENet first predicts compact Fourier signatures of text instances, and then reconstructs text contours via IFT and NMS during test. Extensive experiments demonstrate that FCE is accurate and robust to fit contours of scene texts even with highly-curved shapes, and also validate the effectiveness and the good generalization of FCENet for arbitrary-shaped text detection. Furthermore, experimental results show that our FCENet is superior to the state-of-the-art (SOTA) methods on CTW1500 and Total-Text, especially on challenging highly-curved text subset.
Roto-translated Local Coordinate Frames For Interacting Dynamical Systems
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.
SAT: Spatial Aptitude Training for Multimodal Language Models
Spatial perception is a fundamental component of intelligence. While many studies highlight that large multimodal language models (MLMs) struggle to reason about space, they only test for static spatial reasoning, such as categorizing the relative positions of objects. Meanwhile, real-world deployment requires dynamic capabilities like perspective-taking and egocentric action recognition. As a roadmap to improving spatial intelligence, we introduce SAT, Spatial Aptitude Training, which goes beyond static relative object position questions to the more dynamic tasks. SAT contains 218K question-answer pairs for 22K synthetic scenes across a training and testing set. Generated using a photo-realistic physics engine, our dataset can be arbitrarily scaled and easily extended to new actions, scenes, and 3D assets. We find that even MLMs that perform relatively well on static questions struggle to accurately answer dynamic spatial questions. Further, we show that SAT instruction-tuning data improves not only dynamic spatial reasoning on SAT, but also zero-shot performance on existing real-image spatial benchmarks: 23% on CVBench, 8% on the harder BLINK benchmark, and 18% on VSR. When instruction-tuned on SAT, our 13B model matches larger proprietary MLMs like GPT4-V and Gemini-3-1.0 in spatial reasoning. Our data/code is available at http://arijitray1993.github.io/SAT/ .
CAD-GPT: Synthesising CAD Construction Sequence with Spatial Reasoning-Enhanced Multimodal LLMs
Computer-aided design (CAD) significantly enhances the efficiency, accuracy, and innovation of design processes by enabling precise 2D and 3D modeling, extensive analysis, and optimization. Existing methods for creating CAD models rely on latent vectors or point clouds, which are difficult to obtain and costly to store. Recent advances in Multimodal Large Language Models (MLLMs) have inspired researchers to use natural language instructions and images for CAD model construction. However, these models still struggle with inferring accurate 3D spatial location and orientation, leading to inaccuracies in determining the spatial 3D starting points and extrusion directions for constructing geometries. This work introduces CAD-GPT, a CAD synthesis method with spatial reasoning-enhanced MLLM that takes either a single image or a textual description as input. To achieve precise spatial inference, our approach introduces a 3D Modeling Spatial Mechanism. This method maps 3D spatial positions and 3D sketch plane rotation angles into a 1D linguistic feature space using a specialized spatial unfolding mechanism, while discretizing 2D sketch coordinates into an appropriate planar space to enable precise determination of spatial starting position, sketch orientation, and 2D sketch coordinate translations. Extensive experiments demonstrate that CAD-GPT consistently outperforms existing state-of-the-art methods in CAD model synthesis, both quantitatively and qualitatively.
Curvature-Aware Training for Coordinate Networks
Coordinate networks are widely used in computer vision due to their ability to represent signals as compressed, continuous entities. However, training these networks with first-order optimizers can be slow, hindering their use in real-time applications. Recent works have opted for shallow voxel-based representations to achieve faster training, but this sacrifices memory efficiency. This work proposes a solution that leverages second-order optimization methods to significantly reduce training times for coordinate networks while maintaining their compressibility. Experiments demonstrate the effectiveness of this approach on various signal modalities, such as audio, images, videos, shape reconstruction, and neural radiance fields.
Geographic Location Encoding with Spherical Harmonics and Sinusoidal Representation Networks
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
GeoCalib: Learning Single-image Calibration with Geometric Optimization
From a single image, visual cues can help deduce intrinsic and extrinsic camera parameters like the focal length and the gravity direction. This single-image calibration can benefit various downstream applications like image editing and 3D mapping. Current approaches to this problem are based on either classical geometry with lines and vanishing points or on deep neural networks trained end-to-end. The learned approaches are more robust but struggle to generalize to new environments and are less accurate than their classical counterparts. We hypothesize that they lack the constraints that 3D geometry provides. In this work, we introduce GeoCalib, a deep neural network that leverages universal rules of 3D geometry through an optimization process. GeoCalib is trained end-to-end to estimate camera parameters and learns to find useful visual cues from the data. Experiments on various benchmarks show that GeoCalib is more robust and more accurate than existing classical and learned approaches. Its internal optimization estimates uncertainties, which help flag failure cases and benefit downstream applications like visual localization. The code and trained models are publicly available at https://github.com/cvg/GeoCalib.
SoFar: Language-Grounded Orientation Bridges Spatial Reasoning and Object Manipulation
Spatial intelligence is a critical component of embodied AI, promoting robots to understand and interact with their environments. While recent advances have enhanced the ability of VLMs to perceive object locations and positional relationships, they still lack the capability to precisely understand object orientations-a key requirement for tasks involving fine-grained manipulations. Addressing this limitation not only requires geometric reasoning but also an expressive and intuitive way to represent orientation. In this context, we propose that natural language offers a more flexible representation space than canonical frames, making it particularly suitable for instruction-following robotic systems. In this paper, we introduce the concept of semantic orientation, which defines object orientations using natural language in a reference-frame-free manner (e.g., the ''plug-in'' direction of a USB or the ''handle'' direction of a knife). To support this, we construct OrienText300K, a large-scale dataset of 3D models annotated with semantic orientations that link geometric understanding to functional semantics. By integrating semantic orientation into a VLM system, we enable robots to generate manipulation actions with both positional and orientational constraints. Extensive experiments in simulation and real world demonstrate that our approach significantly enhances robotic manipulation capabilities, e.g., 48.7% accuracy on Open6DOR and 74.9% accuracy on SIMPLER.