Author name cluster

Xiao He

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12 papers

2 author rows

AAAI Conference 2026 Conference Paper

Mixture of Ranks with Degradation-Aware Routing for One-Step Real-World Image Super-Resolution

Xiao He
Zhijun Tu
Kun Cheng
Mingrui Zhu
Jie Hu
Nannan Wang
Xinbo Gao

The demonstrated success of sparsely-gated Mixture-of-Experts (MoE) architectures, exemplified by models such as DeepSeek and Grok, has motivated researchers to investigate their adaptation to diverse domains. In real-world image super-resolution (Real-ISR), existing approaches mainly rely on fine-tuning pre-trained diffusion models through Low-Rank Adaptation (LoRA) module to reconstruct high-resolution (HR) images. However, these dense Real-ISR models are limited in their ability to adaptively capture the heterogeneous characteristics of complex real-world degraded samples or enable knowledge sharing between inputs under equivalent computational budgets. To address this, we investigate the integration of sparse MoE into Real-ISR and propose a Mixture-of-Ranks (MoR) architecture for single-step image super-resolution. We introduce a fine-grained expert partitioning strategy that treats each rank in LoRA as an independent expert. This design enables flexible knowledge recombination while isolating fixed-position ranks as shared experts to preserve common-sense features and minimize routing redundancy. Furthermore, we develop a degradation estimation module leveraging CLIP embeddings and predefined positive-negative text pairs to compute relative degradation scores, dynamically guiding expert activation. To better accommodate varying sample complexities, we incorporate zero-expert slots and propose a degradation-aware load-balancing loss, which dynamically adjusts the number of active experts based on degradation severity, ensuring optimal computational resource allocation. Comprehensive experiments validate our framework's effectiveness and state-of-the-art performance.

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AAAI Conference 2026 Conference Paper

PLA-MGRA: Multi-Granularity and Relation-Aware Learning for Efficient and Generalizable Protein-Ligand Binding Affinity Prediction

Shunfan Li
Jiangkai Long
Xin Zou
Chang Tang
Yuanyuan Liu
Xiao He
Xuesong Yan

Protein-Ligand Affinity (PLA) prediction quantifies the interaction strength to guide rational drug design. Existing approaches typically analyze interaction at a single granularity and overlook tightly coupled relationships between protein and ligand in both structure and functionality, consequently yielding suboptimal representations, leading to significant performance drops in real-world scenarios. To address this problem, we propose PLA-MGRA, a minimalist and effective PLA prediction framework. Specifically, PLA-MGRA captures both fine-grained atomic details and coarse grained functional semantics within the 3D structure of protein–ligand complexes, through multi-granularity learning. To further parse the coupled protein–ligand relationships, we design relation-aware learning to enhance the binding nature of representations. Extensive experiments demonstrate that our method achieves state-of-the-art performance on multiple protein–ligand affinity prediction benchmarks, while also offering generalizability and interpretability.

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AAAI Conference 2025 Conference Paper

Effective Diffusion Transformer Architecture for Image Super-Resolution

Kun Cheng
Lei Yu
Zhijun Tu
Xiao He
Liyu Chen
Yong Guo
Mingrui Zhu
Nannan Wang

Recent advances indicate that diffusion model holds great promise in image super-resolution. While latest methods are primarily based on latent diffusion models with convolutional neural networks, there are few attempts to explore transformers, which have demonstrated remarkable performance in image generation. In this work, we design an effective diffusion transformer for image super resolution (DiT-SR) that achieves the visual quality of prior-based methods, but through a training-from-scratch manner. In practice, DiT-SR leverages an overall U-shaped architecture, and adopts uniform isotropic design for all the transformer blocks across different stages. The former facilitates multi-scale hierarchical feature extraction, while the latter reallocate the computational resources to critical layers to further enhance performance. Moreover, we thoroughly analyze the limitation of the widely used AdaLN, and present a frequency-adaptive time-step conditioning module, enhancing the model's capacity to process distinct frequency information at different time steps. Extensive experiments demonstrate that DiT-SR outperforms the existing training-from-scratch diffusion-based SR methods significantly, and even beats some of the prior-based methods on pretrained Stable Diffusion, proving the superiority of diffusion transformer in image super resolution.

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NeurIPS Conference 2025 Conference Paper

Fast-in-Slow: A Dual-System VLA Model Unifying Fast Manipulation within Slow Reasoning

Hao Chen
Jiaming Liu
Chenyang Gu
Zhuoyang Liu
Renrui Zhang
Xiaoqi Li
Xiao He
Yandong Guo

Generalized policy and execution efficiency constitute the two critical challenges in robotic manipulation. While recent foundation policies benefit from the common-sense reasoning capabilities of internet-scale pretrained vision-language models (VLMs), they often suffer from low execution frequency. To mitigate this dilemma, dual-system approaches have been proposed to leverage a VLM-based System 2 module for handling high-level decision-making, and a separate System 1 action module for ensuring real-time control. However, existing designs maintain both systems as separate models, limiting System 1 from fully leveraging the rich pretrained knowledge from the VLM-based System 2. In this work, we propose Fast-in-Slow (FiS), a unified dual-system vision-language-action (VLA) model that embeds the System 1 execution module within the VLM-based System 2 by partially sharing parameters. This innovative paradigm not only enables high-frequency execution in System 1, but also facilitates coordination between multimodal reasoning and execution components within a single foundation model of System 2. Given their fundamentally distinct roles within FiS-VLA, we design the two systems to incorporate heterogeneous modality inputs alongside asynchronous operating frequencies, enabling both fast and precise manipulation. To enable coordination between the two systems, a dual-aware co-training strategy is proposed that equips System 1 with action generation capabilities while preserving System 2’s contextual understanding to provide stable latent conditions for System 1. For evaluation, FiS-VLA outperforms previous state-of-the-art methods by 8% in simulation and 11% in real-world tasks in terms of average success rate, while achieving a 117. 7 Hz control frequency with action chunk set to eight. Project web page: https: //fast-in-slow. github. io.

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NeurIPS Conference 2025 Conference Paper

MLLM-For3D: Adapting Multimodal Large Language Model for 3D Reasoning Segmentation

Jiaxin Huang
Runnan Chen
Ziwen Li
Zhengqing Gao
Xiao He
Yandong Guo
Mingming Gong
Tongliang Liu

Reasoning segmentation aims to segment target objects in complex scenes based on human intent and spatial reasoning. While recent multimodal large language models (MLLMs) have demonstrated impressive 2D image reasoning segmentation, adapting these capabilities to 3D scenes remains underexplored. In this paper, we introduce MLLM-For3D, a simple yet effective framework that transfers knowledge from 2D MLLMs to 3D scene understanding. Specifically, we utilize MLLMs to generate multi-view pseudo-segmentation masks and corresponding text embeddings, then unproject 2D masks into 3D space and align them with the text embeddings. The primary challenge lies in the absence of 3D context and spatial consistency across multiple views, causing the model to hallucinate objects that do not exist and fail to target objects consistently. Training the 3D model with such irrelevant objects leads to performance degradation. To address this, we first filter irrelevant views using token attention. With these reliable pseudo-labels, we develop a token-for-Query approach for multimodal semantic alignment, enabling consistent identification of the same object across different views. Moreover, we introduce a spatial consistency strategy to enforce that segmentation masks remain coherent in the 3D space, effectively capturing the geometry of the scene. Extensive evaluations of various challenging indoor scene benchmarks demonstrate that, even without labeled 3D training data, MLLM-For3D outperforms existing 3D reasoning segmentation methods, effectively interpreting user intent, understanding 3D scenes, and reasoning about spatial relationships.

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IJCAI Conference 2025 Conference Paper

PDDFormer: Pairwise Distance Distribution Graph Transformer for Crystal Material Property Prediction

Xiangxiang Shen
Zheng Wan
Lingfeng Wen
Licheng Sun
Jian Yang
Xuan Tang
Shing-Ho J. Lin
Xiao He

Crystal structures can be simplified as a periodic point set that repeats across three-dimensional space along an underlying lattice. Traditionally, crystal representation methods rely on descriptors such as lattice parameters, symmetry, and space groups to characterize the structure. However, in reality, atoms in materials always vibrate above absolute zero, causing their positions to fluctuate continuously. This dynamic behavior disrupts the fundamental periodicity of the lattice, making crystal graphs based on static lattice parameters and conventional descriptors discontinuous under slight perturbations. Chemists proposed the pairwise distance distribution (PDD) method to address this. However, the completeness of PDD requires defining a large number of neighboring atoms, leading to high computational costs. Additionally, PDD does not account for atomic information, making it challenging to apply it directly to crystal material property prediction tasks. To tackle these challenges, we introduce the atom-weighted Pairwise Distance Distribution (WPDD) and Unit cell Pairwise Distance Distribution (UPDD) for the first time, applying them to the construction of multi-edge crystal graphs. We demonstrate the continuity and general completeness of crystal graphs under slight atomic position perturbations. Moreover, by modeling PDD as global information and integrating it into matrix-based message passing, we significantly reduce computational costs. Comprehensive evaluation results show that WPDDFormer achieves state-of-the-art predictive accuracy across tasks on benchmark datasets such as the Materials Project and JARVIS-DFT.

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NeurIPS Conference 2025 Conference Paper

Surprise3D: A Dataset for Spatial Understanding and Reasoning in Complex 3D Scenes

Jiaxin Huang
Ziwen Li
Hanlue Zhang
Runnan Chen
Zhengqing Gao
Xiao He
Yandong Guo
Wenping Wang

The integration of language and 3D perception is critical for embodied AI and robotic systems to perceive, understand, and interact with the physical world. Spatial reasoning, a key capability for understanding spatial relationships between objects, remains underexplored in current 3D vision-language research. Existing datasets often mix semantic cues (e. g. , object name) with spatial context, leading models to rely on superficial shortcuts rather than genuinely interpreting spatial relationships. To address this gap, we introduce Surprise3D, a novel dataset designed to evaluate language-guided spatial reasoning segmentation in complex 3D scenes. Surprise3D consists of more than 200k vision language pairs across 900+ detailed indoor scenes from ScanNet++ v2, including more than 2. 8k unique object classes. The dataset contains 89k+ human-annotated spatial queries deliberately crafted without object name, thereby mitigating shortcut biases in spatial understanding. These queries comprehensively cover various spatial reasoning skills, such as relative position, narrative perspective, parametric perspective, and absolute distance reasoning. Initial benchmarks demonstrate significant challenges for current state-of-the-art expert 3D visual grounding methods and 3D-LLMs, underscoring the necessity of our dataset and the accompanying 3D Spatial Reasoning Segmentation (3D-SRS) benchmark suite. Surprise3D and 3D-SRS aim to facilitate advancements in spatially aware AI, paving the way for effective embodied interaction and robotic planning.

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ICRA Conference 2024 Conference Paper

Bio-Inspired Pupal-Mode Actuator with Ultra-Crossing Capability for Soft Robots

Zhenxing Wang
Xiao He
Yuhang Zhang
Cheng Zhang
Lei Sun
Zhidong Wang
Shun Xu
Hao Liu

Robot-assisted Natural Orifice Translu-minal Endoscopic Surgery (NOTES) represents a paradigm shift in surgical practice, significantly mini-mizing patient morbidity. However, the variability of inner diameter and the inter-luminal crossing within the luminal tracts lead to challenge for effective robotic intervention. Inspired by the motion of the chrysalis during its transformation, we designed an innovative pupal-mode actuator for NOTES robots. Through the manipulation of its internal air chambers, this actuator is capable of replicating wriggle-like movements. Through experimental analysis, we have acquired the constitutive characteristics of this actuator. Subsequently, an innovative gastric endoscopy robot is developed base the actuator and tested in a phantom. The results of the task simulations substantiate that the pupal-mode actuator has the capability to reduce resistance and enhance the safety of the endoscopic intervention.

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JBHI Journal 2024 Journal Article

DAI-Net: Dual Adaptive Interaction Network for Coordinated Medication Recommendation

Xin Zou
Xiao He
Xiao Zheng
Wei Zhang
Jiajia Chen
Chang Tang

Medication recommendation is a productive task for AI-driven healthcare systems, which can assist clinicians in prescribing judicious and effective treatments. However, existing medication recommendation methods omit two key pieces of information: Coarse-grained interaction information between distinct types of symptoms in a patient's medical history and corresponding medication representations can serve as attention for predicting the current medication combinations of the patient. Fine-grained interaction information between medication substructure representations and different types of symptoms can facilitate the construction of molecular-level disentangled medication representations. To address this dilemma, we propose a novel D ual A daptive I nteraction Net work (DAI-Net), which encodes comprehensive interaction knowledge between patients' multifaceted health records and medication molecules to improve the performance of medication recommendation and heighten interpretability of the model. Specifically, we design a symptom-aware medication matching module to extract coordinated associations between patient symptoms and medication molecules, coarse-grained interaction learning. The medication embeddings are utilized to transform patient-medication matching properties into a symptom-substructure matching matrix for fine-grained interaction. The patient's Longitudinal representation is employed as a query to decode both symptom-medication and symptom-substructure matching information for coordinated medication representation. DAI-Net is an end-to-end recommendation model. Extensive experiments on the real-world EHR datasets, i. e. , the public benchmark MIMIC-III, MIMIC-IV, and eICU, demonstrate that the proposed DAI-Net achieves competitive performance compared to other state-of-the-art ones, with an average improvement of 1. 8%, 2. 1% in Jaccard on MIMIC-III and -IV dataset.

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IROS Conference 2024 Conference Paper

LiDAR-based HD Map Localization using Semantic Generalized ICP with Road Marking Detection

Yansong Gong
Xinglian Zhang
Jingyi Feng
Xiao He
Dan Zhang

In GPS-denied scenarios, a robust environmental perception and localization system becomes crucial for autonomous driving. In this paper, a LiDAR-based online localization system is developed, incorporating road marking detection and registration on a high-definition (HD) map. Within our system, a road marking detection approach is proposed with realtime performance, in which an adaptive segmentation technique is first introduced to isolate high-reflectance points correlated with road markings, enhancing real-time efficiency. Then, a spatio-temporal probabilistic local map is formed by aggregating historical LiDAR scans, providing a dense point cloud. Finally, a LiDAR bird’s-eye view (LiBEV) image is generated, and an instance segmentation network is applied to accurately label the road markings. For road marking registration, a semantic generalized iterative closest point (SG-ICP) algorithm is designed. Linear road markings are modeled as 1-manifolds embedded in 2D space, mitigating the influence of constraints along the linear direction, addressing the under-constrained problem and achieving a lower localization errors on HD maps than ICP. Extensive experiments are conducted in real-world scenarios, demonstrating the effectiveness and robustness of our system.

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AAAI Conference 2019 Conference Paper

Efficient and Scalable Multi-Task Regression on Massive Number of Tasks

Xiao He
Francesco Alesiani
Ammar Shaker

Many real-world large-scale regression problems can be formulated as Multi-task Learning (MTL) problems with a massive number of tasks, as in retail and transportation domains. However, existing MTL methods still fail to offer both the generalization performance and the scalability for such problems. Scaling up MTL methods to problems with a tremendous number of tasks is a big challenge. Here, we propose a novel algorithm, named Convex Clustering Multi-Task regression Learning (CCMTL), which integrates with convex clustering on the k-nearest neighbor graph of the prediction models. Further, CCMTL efficiently solves the underlying convex problem with a newly proposed optimization method. CCMTL is accurate, efficient to train, and empirically scales linearly in the number of tasks. On both synthetic and real-world datasets, the proposed CCMTL outperforms seven state-of-the-art (SoA) multi-task learning methods in terms of prediction accuracy as well as computational efficiency. On a real-world retail dataset with 23, 812 tasks, CCMTL requires only around 30 seconds to train on a single thread, while the SoA methods need up to hours or even days.

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ICML Conference 2019 Conference Paper

Learning Discrete Structures for Graph Neural Networks

Luca Franceschi 0001
Mathias Niepert
Massimiliano Pontil
Xiao He

Graph neural networks (GNNs) are a popular class of machine learning models that have been successfully applied to a range of problems. Their major advantage lies in their ability to explicitly incorporate a sparse and discrete dependency structure between data points. Unfortunately, GNNs can only be used when such a graph-structure is available. In practice, however, real-world graphs are often noisy and incomplete or might not be available at all. With this work, we propose to jointly learn the graph structure and the parameters of graph convolutional networks (GCNs) by approximately solving a bilevel program that learns a discrete probability distribution on the edges of the graph. This allows one to apply GCNs not only in scenarios where the given graph is incomplete or corrupted but also in those where a graph is not available. We conduct a series of experiments that analyze the behavior of the proposed method and demonstrate that it outperforms related methods by a significant margin.

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