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Collaborating Authors

 Zhu, Qiang


Distilling Multi-view Diffusion Models into 3D Generators

arXiv.org Artificial Intelligence

--We introduce DD3G, a formulation that Distills a multi-view Diffusion model (MV-DM) into a 3D Generator using gaussian splatting. DD3G compresses and integrates extensive visual and spatial geometric knowledge from the MV-DM by simulating its ordinary differential equation (ODE) trajectory, ensuring the distilled generator generalizes better than those trained solely on 3D data. Unlike previous amortized optimization approaches, we align the MV-DM and 3D generator representation spaces to transfer the teacher's probabilistic flow to the student, thus avoiding inconsistencies in optimization objectives caused by probabilistic sampling. The introduction of probabilistic flow and the coupling of various attributes in 3D Gaussians introduce challenges in the generation process. T o tackle this, we propose PEPD, a generator consisting of Pattern Extraction and Progressive Decoding phases, which enables efficient fusion of probabilistic flow and converts a single image into 3D Gaussians within 0.06 seconds. Furthermore, to reduce knowledge loss and overcome sparse-view supervision, we design a joint optimization objective that ensures the quality of generated samples through explicit supervision and implicit verification. Leveraging existing 2D generation models, we compile 120k high-quality RGBA images for distillation. Experiments on synthetic and public datasets demonstrate the effectiveness of our method. Our project is available at: https://qinbaigao.github.io/DD3G I NTRODUCTION W ITH the rapid development of 2D-AIGC [1] and 3D Gaussian Splatting [2] technologies, there is a significant opportunity for the automated generation of 3D assets from a single image. However, a key challenge that has * Corresponding author. Hao Qin, Ming Kong, Mengxu Lu, and Qiang Zhu are with School of Computer Science and Technology, Zhejiang University, Hangzhou 310027, China (e-mail: haoqin@zju.edu.cn;


SymmCD: Symmetry-Preserving Crystal Generation with Diffusion Models

arXiv.org Artificial Intelligence

Generating novel crystalline materials has potential to lead to advancements in fields such as electronics, energy storage, and catalysis. The defining characteristic of crystals is their symmetry, which plays a central role in determining their physical properties. However, existing crystal generation methods either fail to generate materials that display the symmetries of real-world crystals, or simply replicate the symmetry information from examples in a database. To address this limitation, we propose SymmCD, a novel diffusion-based generative model that explicitly incorporates crystallographic symmetry into the generative process. We decompose crystals into two components and learn their joint distribution through diffusion: 1) the asymmetric unit, the smallest subset of the crystal which can generate the whole crystal through symmetry transformations, and; 2) the symmetry transformations needed to be applied to each atom in the asymmetric unit. We also use a novel and interpretable representation for these transformations, enabling generalization across different crystallographic symmetry groups. We showcase the competitive performance of SymmCD on a subset of the Materials Project, obtaining diverse and valid crystals with realistic symmetries and predicted properties.


CT-PatchTST: Channel-Time Patch Time-Series Transformer for Long-Term Renewable Energy Forecasting

arXiv.org Artificial Intelligence

Accurately predicting renewable energy output is crucial for the efficient integration of solar and wind power into modern energy systems. This study develops and evaluates an advanced deep learning model, Channel-Time Patch Time-Series Transformer (CT-PatchTST), to forecast the power output of photovoltaic and wind energy systems using annual offshore wind power, onshore wind power, and solar power generation data from Denmark. While the original Patch Time-Series Transformer(PatchTST) model employs a channel-independent (CI) approach, it tends to overlook inter-channel relationships during training, potentially leading to a loss of critical information. To address this limitation and further leverage the benefits of increased data granularity brought by CI, we propose CT-PatchTST. This enhanced model improves the processing of inter-channel information while maintaining the advantages of the channel-independent approach. The predictive performance of CT-PatchTST is rigorously analyzed, demonstrating its ability to provide precise and reliable energy forecasts. This work contributes to improving the predictability of renewable energy systems, supporting their broader adoption and integration into energy grids.


End-to-End Reaction Field Energy Modeling via Deep Learning based Voxel-to-voxel Transform

arXiv.org Artificial Intelligence

In computational biochemistry and biophysics, understanding the role of electrostatic interactions is crucial for elucidating the structure, dynamics, and function of biomolecules. The Poisson-Boltzmann (PB) equation is a foundational tool for modeling these interactions by describing the electrostatic potential in and around charged molecules. However, solving the PB equation presents significant computational challenges due to the complexity of biomolecular surfaces and the need to account for mobile ions. While traditional numerical methods for solving the PB equation are accurate, they are computationally expensive and scale poorly with increasing system size. To address these challenges, we introduce PBNeF, a novel machine learning approach inspired by recent advancements in neural network-based partial differential equation solvers. Our method formulates the input and boundary electrostatic conditions of the PB equation into a learnable voxel representation, enabling the use of a neural field transformer to predict the PB solution and, subsequently, the reaction field potential energy. Extensive experiments demonstrate that PBNeF achieves over a 100-fold speedup compared to traditional PB solvers, while maintaining accuracy comparable to the Generalized Born (GB) model.


Artificial Intelligence System for Detection and Screening of Cardiac Abnormalities using Electrocardiogram Images

arXiv.org Artificial Intelligence

The artificial intelligence (AI) system has achieved expert-level performance in electrocardiogram (ECG) signal analysis. However, in underdeveloped countries or regions where the healthcare information system is imperfect, only paper ECGs can be provided. Analysis of real-world ECG images (photos or scans of paper ECGs) remains challenging due to complex environments or interference. In this study, we present an AI system developed to detect and screen cardiac abnormalities (CAs) from real-world ECG images. The system was evaluated on a large dataset of 52,357 patients from multiple regions and populations across the world. On the detection task, the AI system obtained area under the receiver operating curve (AUC) of 0.996 (hold-out test), 0.994 (external test 1), 0.984 (external test 2), and 0.979 (external test 3), respectively. Meanwhile, the detection results of AI system showed a strong correlation with the diagnosis of cardiologists (cardiologist 1 (R=0.794, p<1e-3), cardiologist 2 (R=0.812, p<1e-3)). On the screening task, the AI system achieved AUCs of 0.894 (hold-out test) and 0.850 (external test). The screening performance of the AI system was better than that of the cardiologists (AI system (0.846) vs. cardiologist 1 (0.520) vs. cardiologist 2 (0.480)). Our study demonstrates the feasibility of an accurate, objective, easy-to-use, fast, and low-cost AI system for CA detection and screening. The system has the potential to be used by healthcare professionals, caregivers, and general users to assess CAs based on real-world ECG images.


Learning Decomposed Representation for Counterfactual Inference

arXiv.org Machine Learning

One fundamental problem in the learning treatment effect from observational data is confounder identification and balancing. Most of the previous methods realized confounder balancing by treating all observed variables as confounders, ignoring the identification of confounders and non-confounders. In general, not all the observed variables are confounders which are the common causes of both the treatment and the outcome, some variables only contribute to the treatment and some contribute to the outcome. Balancing those non-confounders would generate additional bias for treatment effect estimation. By modeling the different relations among variables, treatment and outcome, we propose a synergistic learning framework to 1) identify and balance confounders by learning decomposed representation of confounders and non-confounders, and simultaneously 2) estimate the treatment effect in observational studies via counterfactual inference. Our empirical results demonstrate that the proposed method can precisely identify and balance confounders, while the estimation of the treatment effect performs better than the state-of-the-art methods on both synthetic and real-world datasets.