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Boyan Zhang

Publications and source records attributed to Boyan Zhang.

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Model-Aware Schedules Improve Generation via Fiberwise Optimal Transport

Diffusion and flow-matching schedules control the signal and noise coefficients that mix data and noise along affine probability paths. Minimizing a kinetic action defined on coefficient paths, motivated by optimal transport, helps explain strong baselines but remains model-agnostic and ignores prediction error. Here we introduce a model-aware schedule construction based on fiberwise optimal transport. At a fixed time and state on the probability path, compatible signal/noise decompositions form an affine fiber. We define a fiberwise prediction risk by averaging optimal-transport costs between the true and predictor-induced decompositions within these fibers. On a fixed coefficient curve, combining this risk with coefficient-path kinetic action yields a closed-form optimal time allocation. This construction extends to general linear prediction targets, and the risk profile can be estimated from an early baseline checkpoint. We evaluate DDPMs and flow matching across prediction targets, training configurations, risk-estimation checkpoints, datasets, and architectures. Our model-aware schedules consistently outperform strong baselines, including a 38.6% relative FID reduction for flow matching on CIFAR-10 at 16 function evaluations. Each model-agnostic kinetic baseline determines its own kinetic reference coordinate. In these coordinates, fiberwise-risk profiles from independently trained models in different settings align closely after normalization to unit area. The resulting schedule deformations used in training also align, suggesting empirical universality across the evaluated models and settings. Pretrained-checkpoint diagnostics extend this normalized-risk agreement to larger conditional latent diffusion and 2-RF models. A frozen analytic allocation template retains most of the model-aware improvement without further risk estimation or model-specific fitting.

cs.LG

BioMiner: A Multi-modal System for Automated Mining of Protein-Ligand Bioactivity Data from Literature

Protein-ligand bioactivity data published in the literature are essential for drug discovery, yet manual curation struggles to keep pace with rapidly growing literature. Automated bioactivity extraction remains challenging because it requires not only interpreting biochemical semantics distributed across text, tables, and figures, but also reconstructing chemically exact ligand structures (e.g., Markush structures). To address this bottleneck, we introduce BioMiner, a multi-modal extraction framework that explicitly separates bioactivity semantic interpretation from ligand structure construction. Within BioMiner, bioactivity semantics are inferred through direct reasoning, while chemical structures are resolved via a chemical-structure-grounded visual semantic reasoning paradigm, in which multi-modal large language models operate on chemically grounded visual representations to infer inter-structure relationships, and exact molecular construction is delegated to domain chemistry tools. For rigorous evaluation and method development, we further establish BioVista, a comprehensive benchmark comprising 16,457 bioactivity entries curated from 500 publications. BioMiner validates its extraction ability and provides a quantitative baseline, achieving an F1 score of 0.32 for bioactivity triplets. BioMiner's practical utility is demonstrated via three applications: (1) extracting 82,262 data from 11,683 papers to build a pre-training database that improves downstream models performance by 3.9%; (2) enabling a human-in-the-loop workflow that doubles the number of high-quality NLRP3 bioactivity data, helping 38.6% improvement over 28 QSAR models and identification of 16 hit candidates with novel scaffolds; and (3) accelerating protein-ligand complex bioactivity annotation, achieving a 5.59-fold speed increase and 5.75% accuracy improvement over manual workflows in PoseBusters dataset.

cs.AI

ERNIE 5.0 Technical Report

In this report, we introduce ERNIE 5.0, a natively autoregressive foundation model desinged for unified multimodal understanding and generation across text, image, video, and audio. All modalities are trained from scratch under a unified next-group-of-tokens prediction objective, based on an ultra-sparse mixture-of-experts (MoE) architecture with modality-agnostic expert routing. To address practical challenges in large-scale deployment under diverse resource constraints, ERNIE 5.0 adopts a novel elastic training paradigm. Within a single pre-training run, the model learns a family of sub-models with varying depths, expert capacities, and routing sparsity, enabling flexible trade-offs among performance, model size, and inference latency in memory- or time-constrained scenarios. Moreover, we systematically address the challenges of scaling reinforcement learning to unified foundation models, thereby guaranteeing efficient and stable post-training under ultra-sparse MoE architectures and diverse multimodal settings. Extensive experiments demonstrate that ERNIE 5.0 achieves strong and balanced performance across multiple modalities. To the best of our knowledge, among publicly disclosed models, ERNIE 5.0 represents the first production-scale realization of a trillion-parameter unified autoregressive model that supports both multimodal understanding and generation. To facilitate further research, we present detailed visualizations of modality-agnostic expert routing in the unified model, alongside comprehensive empirical analysis of elastic training, aiming to offer profound insights to the community.

cs.CL

In situ calibration of camera-refraction interface based on analytical refractive imaging equation

Camera calibration is an essential process in photogrammetry, serving as a crucial link between the 2D image coordinate system and the 3D world coordinate system. However, when observations are conducted through refractive interfaces, the refraction effects at these interfaces render traditional calibration methods ineffective, significantly compromising measurement accuracy. To address this challenge, we propose a novel camera calibration method based on the analytical refractive imaging (ARI) equation. The ARI method facilitates accurate estimation of camera parameters from distorted images and enables in-situ joint calibration of both the camera and the refractive interface. The experimental results indicate that the proposed method reduces the error to only 10% of that produced by conventional ray-tracing (RT) method. Moreover, while maintaining comparable computational accuracy and efficiency, it effectively mitigates the local convergence issues that may arise in the polynomial fitting (PF) approach. Finally, reconstruction experiments further confirm the accuracy of the proposed method. Experimental results demonstrate that the proposed method outperforms existing refractive calibration techniques in terms of accuracy while maintaining high precision in 3D reconstruction tasks.

physics.optics

Demo: FedCampus: A Real-world Privacy-preserving Mobile Application for Smart Campus via Federated Learning & Analytics

In this demo, we introduce FedCampus, a privacy-preserving mobile application for smart \underline{campus} with \underline{fed}erated learning (FL) and federated analytics (FA). FedCampus enables cross-platform on-device FL/FA for both iOS and Android, supporting continuously models and algorithms deployment (MLOps). Our app integrates privacy-preserving processed data via differential privacy (DP) from smartwatches, where the processed parameters are used for FL/FA through the FedCampus backend platform. We distributed 100 smartwatches to volunteers at Duke Kunshan University and have successfully completed a series of smart campus tasks featuring capabilities such as sleep tracking, physical activity monitoring, personalized recommendations, and heavy hitters. Our project is opensourced at https://github.com/FedCampus/FedCampus_Flutter. See the FedCampus video at https://youtu.be/k5iu46IjA38.

cs.CR

FedKit: Enabling Cross-Platform Federated Learning for Android and iOS

We present FedKit, a federated learning (FL) system tailored for cross-platform FL research on Android and iOS devices. FedKit pipelines cross-platform FL development by enabling model conversion, hardware-accelerated training, and cross-platform model aggregation. Our FL workflow supports flexible machine learning operations (MLOps) in production, facilitating continuous model delivery and training. We have deployed FedKit in a real-world use case for health data analysis on university campuses, demonstrating its effectiveness. FedKit is open-source at https://github.com/FedCampus/FedKit.

cs.LG

IntersectGAN: Learning Domain Intersection for Generating Images with Multiple Attributes

Generative adversarial networks (GANs) have demonstrated great success in generating various visual content. However, images generated by existing GANs are often of attributes (e.g., smiling expression) learned from one image domain. As a result, generating images of multiple attributes requires many real samples possessing multiple attributes which are very resource expensive to be collected. In this paper, we propose a novel GAN, namely IntersectGAN, to learn multiple attributes from different image domains through an intersecting architecture. For example, given two image domains $X_1$ and $X_2$ with certain attributes, the intersection $X_1 \cap X_2$ denotes a new domain where images possess the attributes from both $X_1$ and $X_2$ domains. The proposed IntersectGAN consists of two discriminators $D_1$ and $D_2$ to distinguish between generated and real samples of different domains, and three generators where the intersection generator is trained against both discriminators. And an overall adversarial loss function is defined over three generators. As a result, our proposed IntersectGAN can be trained on multiple domains of which each presents one specific attribute, and eventually eliminates the need of real sample images simultaneously possessing multiple attributes. By using the CelebFaces Attributes dataset, our proposed IntersectGAN is able to produce high quality face images possessing multiple attributes (e.g., a face with black hair and a smiling expression). Both qualitative and quantitative evaluations are conducted to compare our proposed IntersectGAN with other baseline methods. Besides, several different applications of IntersectGAN have been explored with promising results.

cs.CV

Tensorial Recurrent Neural Networks for Longitudinal Data Analysis

Traditional Recurrent Neural Networks assume vectorized data as inputs. However many data from modern science and technology come in certain structures such as tensorial time series data. To apply the recurrent neural networks for this type of data, a vectorisation process is necessary, while such a vectorisation leads to the loss of the precise information of the spatial or longitudinal dimensions. In addition, such a vectorized data is not an optimum solution for learning the representation of the longitudinal data. In this paper, we propose a new variant of tensorial neural networks which directly take tensorial time series data as inputs. We call this new variant as Tensorial Recurrent Neural Network (TRNN). The proposed TRNN is based on tensor Tucker decomposition.

cs.LG