Jun Xia

Jiabei Cheng, Jingbo Zhou, Jun Xia et al.

Simultaneous measurement of multiple omics modalities in single cells enables researchers to gain a more comprehensive understanding of cellular states and regulatory mechanisms. However, due to high experimental costs, significant noise, and incomplete modality coverage, a variety of computational methods for modality translation have emerged in recent years. Despite the development of translation models, there is still a lack of systematic benchmark evaluation in terms of datasets, evaluation metrics, and influencing factors. To address this, we present scTranslation, a comprehensive benchmark for single-cell multi-omics modality translation tasks. It includes diverse translation datasets, integrates state-of-the-art models, and provides a comprehensive evaluation metrics. In addition, we assess model performance under different scenarios, such as feature selection, feature quality, and few-shot settings. These factors significantly affect model performance but have rarely been systematically studied before. Leveraging this benchmark, we conduct a large-scale study of current methods, report many insightful findings that open up new possibilities for future development. The benchmark is open-sourced to facilitate future research. The code is anonymously released at https://github.com/Bunnybeibei/scTranslation.

Xihong Yang, Cheng Tan, Yue Liu et al.

Contrastive graph node clustering via learnable data augmentation is a hot research spot in the field of unsupervised graph learning. The existing methods learn the sampling distribution of a pre-defined augmentation to generate data-driven augmentations automatically. Although promising clustering performance has been achieved, we observe that these strategies still rely on pre-defined augmentations, the semantics of the augmented graph can easily drift. The reliability of the augmented view semantics for contrastive learning can not be guaranteed, thus limiting the model performance. To address these problems, we propose a novel CONtrastiVe Graph ClustEring network with Reliable AugmenTation (CONVERT). Specifically, in our method, the data augmentations are processed by the proposed reversible perturb-recover network. It distills reliable semantic information by recovering the perturbed latent embeddings. Moreover, to further guarantee the reliability of semantics, a novel semantic loss is presented to constrain the network via quantifying the perturbation and recovery. Lastly, a label-matching mechanism is designed to guide the model by clustering information through aligning the semantic labels and the selected high-confidence clustering pseudo labels. Extensive experimental results on seven datasets demonstrate the effectiveness of the proposed method. We release the code and appendix of CONVERT at https://github.com/xihongyang1999/CONVERT on GitHub.

Yue Liu, Jun Xia, Sihang Zhou et al.

Graph clustering, which aims to divide nodes in the graph into several distinct clusters, is a fundamental yet challenging task. Benefiting from the powerful representation capability of deep learning, deep graph clustering methods have achieved great success in recent years. However, the corresponding survey paper is relatively scarce, and it is imminent to make a summary of this field. From this motivation, we conduct a comprehensive survey of deep graph clustering. Firstly, we introduce formulaic definition, evaluation, and development in this field. Secondly, the taxonomy of deep graph clustering methods is presented based on four different criteria, including graph type, network architecture, learning paradigm, and clustering method. Thirdly, we carefully analyze the existing methods via extensive experiments and summarize the challenges and opportunities from five perspectives, including graph data quality, stability, scalability, discriminative capability, and unknown cluster number. Besides, the applications of deep graph clustering methods in six domains, including computer vision, natural language processing, recommendation systems, social network analyses, bioinformatics, and medical science, are presented. Last but not least, this paper provides open resource supports, including 1) a collection (\url{https://github.com/yueliu1999/Awesome-Deep-Graph-Clustering}) of state-of-the-art deep graph clustering methods (papers, codes, and datasets) and 2) a unified framework (\url{https://github.com/Marigoldwu/A-Unified-Framework-for-Deep-Attribute-Graph-Clustering}) of deep graph clustering. We hope this work can serve as a quick guide and help researchers overcome challenges in this vibrant field.

Yue Liu, Ke Liang, Jun Xia et al.

Deep graph clustering, which aims to group nodes into disjoint clusters by neural networks in an unsupervised manner, has attracted great attention in recent years. Although the performance has been largely improved, the excellent performance of the existing methods heavily relies on an accurately predefined cluster number, which is not always available in the real-world scenario. To enable the deep graph clustering algorithms to work without the guidance of the predefined cluster number, we propose a new deep graph clustering method termed Reinforcement Graph Clustering (RGC). In our proposed method, cluster number determination and unsupervised representation learning are unified into a uniform framework by the reinforcement learning mechanism. Concretely, the discriminative node representations are first learned with the contrastive pretext task. Then, to capture the clustering state accurately with both local and global information in the graph, both node and cluster states are considered. Subsequently, at each state, the qualities of different cluster numbers are evaluated by the quality network, and the greedy action is executed to determine the cluster number. In order to conduct feedback actions, the clustering-oriented reward function is proposed to enhance the cohesion of the same clusters and separate the different clusters. Extensive experiments demonstrate the effectiveness and efficiency of our proposed method. The source code of RGC is shared at https://github.com/yueliu1999/RGC and a collection (papers, codes and, datasets) of deep graph clustering is shared at https://github.com/yueliu1999/Awesome-Deep-Graph-Clustering on Github.

Jiaxiang Liu, Zhida Feng, Pengyu Zou et al.

We introduce ERNIE-Image, an open-source text-to-image generation model built upon an 8B single-stream DiT architecture. ERNIE-Image aims to bridge the gap between current open-source models and leading closed-source systems through more effective mining of large-scale pre-training data and improved supervision quality throughout training. During pre-training, we adopt a bottom-up data construction pipeline that combines fine-grained image categorization, rich caption annotation, aesthetic assessment, and hierarchical sampling. This strategy reduces data noise while preserving long-tail concepts and detailed real-world knowledge, providing a stronger foundation for complex generation tasks. In the post-training stage, we use a top-down data construction pipeline for high-demand scenarios, diversify prompt annotations to better match real user inputs, and apply a stabilized DPO strategy to align the model with human aesthetic preferences. We further train ERNIE-Image-Turbo for efficient 8-NFE generation and propose MT-DMD to mitigate capability drift during distillation. To make the model easier to use in practical scenarios, we equip it with a lightweight Prompt Enhancer that expands concise user intents into structured visual descriptions. In addition, we develop ERNIE-Image-Aes, an industrial-grade aesthetic model, together with ERNIE-Image-Aes-1K, a human-annotated benchmark for realistic aesthetic evaluation. Extensive qualitative and quantitative experiments show that ERNIE-Image achieves leading performance among open-source models and approaches top-tier commercial models in instruction following, text rendering, and aesthetic quality. We release the trained models and aesthetic resources to facilitate further academic research and technical progress in the AIGC community.

Sheng Yu, Zheng Yuan, Jun Xia et al. · tsinghua

Biomedical knowledge graphs (BioMedKGs) are essential infrastructures for biomedical and healthcare big data and artificial intelligence (AI), facilitating natural language processing, model development, and data exchange. For decades, these knowledge graphs have been developed via expert curation; however, this method can no longer keep up with today's AI development, and a transition to algorithmically generated BioMedKGs is necessary. In this work, we introduce the Biomedical Informatics Ontology System (BIOS), the first large-scale publicly available BioMedKG generated completely by machine learning algorithms. BIOS currently contains 4.1 million concepts, 7.4 million terms in two languages, and 7.3 million relation triplets. We present the methodology for developing BIOS, including the curation of raw biomedical terms, computational identification of synonymous terms and aggregation of these terms to create concept nodes, semantic type classification of the concepts, relation identification, and biomedical machine translation. We provide statistics on the current BIOS content and perform preliminary assessments of term quality, synonym grouping, and relation extraction. The results suggest that machine learning-based BioMedKG development is a viable alternative to traditional expert curation.

Cheng Tan, Zhangyang Gao, Lirong Wu et al.

Spatiotemporal predictive learning aims to generate future frames by learning from historical frames. In this paper, we investigate existing methods and present a general framework of spatiotemporal predictive learning, in which the spatial encoder and decoder capture intra-frame features and the middle temporal module catches inter-frame correlations. While the mainstream methods employ recurrent units to capture long-term temporal dependencies, they suffer from low computational efficiency due to their unparallelizable architectures. To parallelize the temporal module, we propose the Temporal Attention Unit (TAU), which decomposes the temporal attention into intra-frame statical attention and inter-frame dynamical attention. Moreover, while the mean squared error loss focuses on intra-frame errors, we introduce a novel differential divergence regularization to take inter-frame variations into account. Extensive experiments demonstrate that the proposed method enables the derived model to achieve competitive performance on various spatiotemporal prediction benchmarks.

Jiangbin Zheng, Yile Wang, Cheng Tan et al.

Sign language recognition (SLR) is a weakly supervised task that annotates sign videos as textual glosses. Recent studies show that insufficient training caused by the lack of large-scale available sign datasets becomes the main bottleneck for SLR. Most SLR works thereby adopt pretrained visual modules and develop two mainstream solutions. The multi-stream architectures extend multi-cue visual features, yielding the current SOTA performances but requiring complex designs and might introduce potential noise. Alternatively, the advanced single-cue SLR frameworks using explicit cross-modal alignment between visual and textual modalities are simple and effective, potentially competitive with the multi-cue framework. In this work, we propose a novel contrastive visual-textual transformation for SLR, CVT-SLR, to fully explore the pretrained knowledge of both the visual and language modalities. Based on the single-cue cross-modal alignment framework, we propose a variational autoencoder (VAE) for pretrained contextual knowledge while introducing the complete pretrained language module. The VAE implicitly aligns visual and textual modalities while benefiting from pretrained contextual knowledge as the traditional contextual module. Meanwhile, a contrastive cross-modal alignment algorithm is designed to explicitly enhance the consistency constraints. Extensive experiments on public datasets (PHOENIX-2014 and PHOENIX-2014T) demonstrate that our proposed CVT-SLR consistently outperforms existing single-cue methods and even outperforms SOTA multi-cue methods.

Cheng Tan, Zhangyang Gao, Hanqun Cao et al.

The secondary structure of ribonucleic acid (RNA) is more stable and accessible in the cell than its tertiary structure, making it essential for functional prediction. Although deep learning has shown promising results in this field, current methods suffer from poor generalization and high complexity. In this work, we reformulate the RNA secondary structure prediction as a K-Rook problem, thereby simplifying the prediction process into probabilistic matching within a finite solution space. Building on this innovative perspective, we introduce RFold, a simple yet effective method that learns to predict the most matching K-Rook solution from the given sequence. RFold employs a bi-dimensional optimization strategy that decomposes the probabilistic matching problem into row-wise and column-wise components to reduce the matching complexity, simplifying the solving process while guaranteeing the validity of the output. Extensive experiments demonstrate that RFold achieves competitive performance and about eight times faster inference efficiency than the state-of-the-art approaches. The code and Colab demo are available in (http://github.com/A4Bio/RFold).

Ming Hu, Zeke Xia, Zhihao Yue et al.

As a promising distributed machine learning paradigm that enables collaborative training without compromising data privacy, Federated Learning (FL) has been increasingly used in AIoT (Artificial Intelligence of Things) design. However, due to the lack of efficient management of straggling devices, existing FL methods greatly suffer from the problems of low inference accuracy and long training time. Things become even worse when taking various uncertain factors (e.g., network delays, performance variances caused by process variation) existing in AIoT scenarios into account. To address this issue, this paper proposes a novel asynchronous FL framework named GitFL, whose implementation is inspired by the famous version control system Git. Unlike traditional FL, the cloud server of GitFL maintains a master model (i.e., the global model) together with a set of branch models indicating the trained local models committed by selected devices, where the master model is updated based on both all the pushed branch models and their version information, and only the branch models after the pull operation are dispatched to devices. By using our proposed Reinforcement Learning (RL)-based device selection mechanism, a pulled branch model with an older version will be more likely to be dispatched to a faster and less frequently selected device for the next round of local training. In this way, GitFL enables both effective control of model staleness and adaptive load balance of versioned models among straggling devices, thus avoiding the performance deterioration. Comprehensive experimental results on well-known models and datasets show that, compared with state-of-the-art asynchronous FL methods, GitFL can achieve up to 2.64X training acceleration and 7.88% inference accuracy improvements in various uncertain scenarios.

Mao Zheng, Zheng Li, Tao Chen et al.

Hy-MT2 is a family of fast-thinking multilingual translation models designed for complex real-world scenarios. It includes three model sizes: 1.8B, 7B, and 30B-A3B (MoE), all of which support translation among 33 languages and effectively follow translation instructions in multiple languages. For on-device deployment, with AngelSlim 1.25-bit extreme quantization, the 1.8B model requires only 440 MB of storage and improves inference speed by 1.5x. Multi-dimensional evaluations show that Hy-MT2 delivers outstanding performance across general, real-world business, domain-specific, and instruction-following translation tasks. The 7B and 30B models outperform open-source models such as DeepSeek-V4-Pro and Kimi K2.6 in fast-thinking mode, while the lightweight 1.8B model also surpasses mainstream commercial APIs from providers such as Microsoft and Doubao overall.

Xiaodan Xing, Javier Del Ser, Yinzhe Wu et al.

Synthetic digital twins based on medical data accelerate the acquisition, labelling and decision making procedure in digital healthcare. A core part of digital healthcare twins is model-based data synthesis, which permits the generation of realistic medical signals without requiring to cope with the modelling complexity of anatomical and biochemical phenomena producing them in reality. Unfortunately, algorithms for cardiac data synthesis have been so far scarcely studied in the literature. An important imaging modality in the cardiac examination is three-directional CINE multi-slice myocardial velocity mapping (3Dir MVM), which provides a quantitative assessment of cardiac motion in three orthogonal directions of the left ventricle. The long acquisition time and complex acquisition produce make it more urgent to produce synthetic digital twins of this imaging modality. In this study, we propose a hybrid deep learning (HDL) network, especially for synthetic 3Dir MVM data. Our algorithm is featured by a hybrid UNet and a Generative Adversarial Network with a foreground-background generation scheme. The experimental results show that from temporally down-sampled magnitude CINE images (six times), our proposed algorithm can still successfully synthesise high temporal resolution 3Dir MVM CMR data (PSNR=42.32) with precise left ventricle segmentation (DICE=0.92). These performance scores indicate that our proposed HDL algorithm can be implemented in real-world digital twins for myocardial velocity mapping data simulation. To the best of our knowledge, this work is the first one in the literature investigating digital twins of the 3Dir MVM CMR, which has shown great potential for improving the efficiency of clinical studies via synthesised cardiac data.

Bozhen Hu, Jun Xia, Jiangbin Zheng et al.

The prediction of protein structures from sequences is an important task for function prediction, drug design, and related biological processes understanding. Recent advances have proved the power of language models (LMs) in processing the protein sequence databases, which inherit the advantages of attention networks and capture useful information in learning representations for proteins. The past two years have witnessed remarkable success in tertiary protein structure prediction (PSP), including evolution-based and single-sequence-based PSP. It seems that instead of using energy-based models and sampling procedures, protein language model (pLM)-based pipelines have emerged as mainstream paradigms in PSP. Despite the fruitful progress, the PSP community needs a systematic and up-to-date survey to help bridge the gap between LMs in the natural language processing (NLP) and PSP domains and introduce their methodologies, advancements and practical applications. To this end, in this paper, we first introduce the similarities between protein and human languages that allow LMs extended to pLMs, and applied to protein databases. Then, we systematically review recent advances in LMs and pLMs from the perspectives of network architectures, pre-training strategies, applications, and commonly-used protein databases. Next, different types of methods for PSP are discussed, particularly how the pLM-based architectures function in the process of protein folding. Finally, we identify challenges faced by the PSP community and foresee promising research directions along with the advances of pLMs. This survey aims to be a hands-on guide for researchers to understand PSP methods, develop pLMs and tackle challenging problems in this field for practical purposes.

Jiangbin Zheng, Yile Wang, Ge Wang et al.

Although contextualized embeddings generated from large-scale pre-trained models perform well in many tasks, traditional static embeddings (e.g., Skip-gram, Word2Vec) still play an important role in low-resource and lightweight settings due to their low computational cost, ease of deployment, and stability. In this paper, we aim to improve word embeddings by 1) incorporating more contextual information from existing pre-trained models into the Skip-gram framework, which we call Context-to-Vec; 2) proposing a post-processing retrofitting method for static embeddings independent of training by employing priori synonym knowledge and weighted vector distribution. Through extrinsic and intrinsic tasks, our methods are well proven to outperform the baselines by a large margin.

Tencent Hunyuan Team, Ao Liu, Botong Zhou et al. · tencent-ai

As Large Language Models (LLMs) rapidly advance, we introduce Hunyuan-TurboS, a novel large hybrid Transformer-Mamba Mixture of Experts (MoE) model. It synergistically combines Mamba's long-sequence processing efficiency with Transformer's superior contextual understanding. Hunyuan-TurboS features an adaptive long-short chain-of-thought (CoT) mechanism, dynamically switching between rapid responses for simple queries and deep "thinking" modes for complex problems, optimizing computational resources. Architecturally, this 56B activated (560B total) parameter model employs 128 layers (Mamba2, Attention, FFN) with an innovative AMF/MF block pattern. Faster Mamba2 ensures linear complexity, Grouped-Query Attention minimizes KV cache, and FFNs use an MoE structure. Pre-trained on 16T high-quality tokens, it supports a 256K context length and is the first industry-deployed large-scale Mamba model. Our comprehensive post-training strategy enhances capabilities via Supervised Fine-Tuning (3M instructions), a novel Adaptive Long-short CoT Fusion method, Multi-round Deliberation Learning for iterative improvement, and a two-stage Large-scale Reinforcement Learning process targeting STEM and general instruction-following. Evaluations show strong performance: overall top 7 rank on LMSYS Chatbot Arena with a score of 1356, outperforming leading models like Gemini-2.0-Flash-001 (1352) and o4-mini-2025-04-16 (1345). TurboS also achieves an average of 77.9% across 23 automated benchmarks. Hunyuan-TurboS balances high performance and efficiency, offering substantial capabilities at lower inference costs than many reasoning models, establishing a new paradigm for efficient large-scale pre-trained models.

Zhihao Yue, Jun Xia, Zhiwei Ling et al.

Due to the popularity of Artificial Intelligence (AI) techniques, we are witnessing an increasing number of backdoor injection attacks that are designed to maliciously threaten Deep Neural Networks (DNNs) causing misclassification. Although there exist various defense methods that can effectively erase backdoors from DNNs, they greatly suffer from both high Attack Success Rate (ASR) and a non-negligible loss in Benign Accuracy (BA). Inspired by the observation that a backdoored DNN tends to form a new cluster in its feature spaces for poisoned data, in this paper we propose a novel two-stage backdoor defense method, named MCLDef, based on Model-Contrastive Learning (MCL). In the first stage, our approach performs trigger inversion based on trigger synthesis, where the resultant trigger can be used to generate poisoned data. In the second stage, under the guidance of MCL and our defined positive and negative pairs, MCLDef can purify the backdoored model by pulling the feature representations of poisoned data towards those of their clean data counterparts. Due to the shrunken cluster of poisoned data, the backdoor formed by end-to-end supervised learning is eliminated. Comprehensive experimental results show that, with only 5% of clean data, MCLDef significantly outperforms state-of-the-art defense methods by up to 95.79% reduction in ASR, while in most cases the BA degradation can be controlled within less than 2%. Our code is available at https://github.com/WeCanShow/MCL.

Jun Xia, Yanqiao Zhu, Yuanqi Du et al.

Deep learning has achieved remarkable success in learning representations for molecules, which is crucial for various biochemical applications, ranging from property prediction to drug design. However, training Deep Neural Networks (DNNs) from scratch often requires abundant labeled molecules, which are expensive to acquire in the real world. To alleviate this issue, tremendous efforts have been devoted to Molecular Pre-trained Models (CPMs), where DNNs are pre-trained using large-scale unlabeled molecular databases and then fine-tuned over specific downstream tasks. Despite the prosperity, there lacks a systematic review of this fast-growing field. In this paper, we present the first survey that summarizes the current progress of CPMs. We first highlight the limitations of training molecular representation models from scratch to motivate CPM studies. Next, we systematically review recent advances on this topic from several key perspectives, including molecular descriptors, encoder architectures, pre-training strategies, and applications. We also highlight the challenges and promising avenues for future research, providing a useful resource for both machine learning and scientific communities.

Cheng Tan, Zhangyang Gao, Lirong Wu et al.

Antibodies are crucial proteins produced by the immune system in response to foreign substances or antigens. The specificity of an antibody is determined by its complementarity-determining regions (CDRs), which are located in the variable domains of the antibody chains and form the antigen-binding site. Previous studies have utilized complex techniques to generate CDRs, but they suffer from inadequate geometric modeling. Moreover, the common iterative refinement strategies lead to an inefficient inference. In this paper, we propose a \textit{simple yet effective} model that can co-design 1D sequences and 3D structures of CDRs in a one-shot manner. To achieve this, we decouple the antibody CDR design problem into two stages: (i) geometric modeling of protein complex structures and (ii) sequence-structure co-learning. We develop a novel macromolecular structure invariant embedding, typically for protein complexes, that captures both intra- and inter-component interactions among the backbone atoms, including C$α$, N, C, and O atoms, to achieve comprehensive geometric modeling. Then, we introduce a simple cross-gate MLP for sequence-structure co-learning, allowing sequence and structure representations to implicitly refine each other. This enables our model to design desired sequences and structures in a one-shot manner. Extensive experiments are conducted to evaluate our results at both the sequence and structure levels, which demonstrate that our model achieves superior performance compared to the state-of-the-art antibody CDR design methods.

Cheng Tan, Zhangyang Gao, Jun Xia et al.

The linear sequence of amino acids determines protein structure and function. Protein design, known as the inverse of protein structure prediction, aims to obtain a novel protein sequence that will fold into the defined structure. Recent works on computational protein design have studied designing sequences for the desired backbone structure with local positional information and achieved competitive performance. However, similar local environments in different backbone structures may result in different amino acids, indicating that protein structure's global context matters. Thus, we propose the Global-Context Aware generative de novo protein design method (GCA), consisting of local and global modules. While local modules focus on relationships between neighbor amino acids, global modules explicitly capture non-local contexts. Experimental results demonstrate that the proposed GCA method outperforms state-of-the-arts on de novo protein design. Our code and pretrained model will be released.

Lirong Wu, Jun Xia, Haitao Lin et al.

Recent years have witnessed great success in handling graph-related tasks with Graph Neural Networks (GNNs). Despite their great academic success, Multi-Layer Perceptrons (MLPs) remain the primary workhorse for practical industrial applications. One reason for this academic-industrial gap is the neighborhood-fetching latency incurred by data dependency in GNNs, which make it hard to deploy for latency-sensitive applications that require fast inference. Conversely, without involving any feature aggregation, MLPs have no data dependency and infer much faster than GNNs, but their performance is less competitive. Motivated by these complementary strengths and weaknesses, we propose a Graph Self-Distillation on Neighborhood (GSDN) framework to reduce the gap between GNNs and MLPs. Specifically, the GSDN framework is based purely on MLPs, where structural information is only implicitly used as prior to guide knowledge self-distillation between the neighborhood and the target, substituting the explicit neighborhood information propagation as in GNNs. As a result, GSDN enjoys the benefits of graph topology-awareness in training but has no data dependency in inference. Extensive experiments have shown that the performance of vanilla MLPs can be greatly improved with self-distillation, e.g., GSDN improves over stand-alone MLPs by 15.54% on average and outperforms the state-of-the-art GNNs on six datasets. Regarding inference speed, GSDN infers 75X-89X faster than existing GNNs and 16X-25X faster than other inference acceleration methods.

Jun Xia, Lecheng Zhang, Xiao Zhu et al.

Molecular property prediction (MPP) is a crucial task in the drug discovery pipeline, which has recently gained considerable attention thanks to advances in deep neural networks. However, recent research has revealed that deep models struggle to beat traditional non-deep ones on MPP. In this study, we benchmark 12 representative models (3 non-deep models and 9 deep models) on 14 molecule datasets. Through the most comprehensive study to date, we make the following key observations: \textbf{(\romannumeral 1)} Deep models are generally unable to outperform non-deep ones; \textbf{(\romannumeral 2)} The failure of deep models on MPP cannot be solely attributed to the small size of molecular datasets. What matters is the irregular molecule data pattern; \textbf{(\romannumeral 3)} In particular, tree models using molecular fingerprints as inputs tend to perform better than other competitors. Furthermore, we conduct extensive empirical investigations into the unique patterns of molecule data and inductive biases of various models underlying these phenomena.

Jun Xia, Yi Zhang, Zhihao Yue et al.

Federated learning (FL) has been recognized as a privacy-preserving distributed machine learning paradigm that enables knowledge sharing among various heterogeneous artificial intelligence (AIoT) devices through centralized global model aggregation. FL suffers from model inaccuracy and slow convergence due to the model heterogeneity of the AIoT devices involved. Although various existing methods try to solve the bottleneck of the model heterogeneity problem, most of them improve the accuracy of heterogeneous models in a coarse-grained manner, which makes it still a great challenge to deploy large-scale AIoT devices. To alleviate the negative impact of this problem and take full advantage of the diversity of each heterogeneous model, we propose an efficient framework named HierarchyFL, which uses a small amount of public data for efficient and scalable knowledge across a variety of differently structured models. By using self-distillation and our proposed ensemble library, each hierarchical model can intelligently learn from each other on cloud servers. Experimental results on various well-known datasets show that HierarchyFL can not only maximize the knowledge sharing among various heterogeneous models in large-scale AIoT systems, but also greatly improve the model performance of each involved heterogeneous AIoT device.

Hongyu Zhan, Qixin Wang, Yusen Tan et al.

The advent of Large Language Models (LLMs) has fundamentally reshaped the way we interact with graphs, giving rise to a new paradigm called GraphLLM. As revealed in recent studies, graph learning can benefit from LLMs. However, we observe limited benefits when we directly utilize LLMs to make predictions for graph-related tasks within GraphLLM paradigm, which even yields suboptimal results compared to conventional GNN-based approaches. Through in-depth analysis, we find this failure can be attributed to LLMs' limited capability for processing graph data and their tendency to overlook graph information. To address this issue, we propose LoReC (Look, Remember, and Contrast), a novel plug-and-play method for GraphLLM paradigm, which enhances LLM's understanding of graph data through three stages: (1) Look: redistributing attention to graph; (2) Remember: re-injecting graph information into the Feed-Forward Network (FFN); (3) Contrast: rectifying the vanilla logits produced in the decoding process. Extensive experiments demonstrate that LoReC brings notable improvements over current GraphLLM methods and outperforms GNN-based approaches across diverse datasets. The implementation is available at https://github.com/Git-King-Zhan/LoReC.

Jun Xia, Ting Wang, Jiepin Ding et al.

Due to the prosperity of Artificial Intelligence (AI) techniques, more and more backdoors are designed by adversaries to attack Deep Neural Networks (DNNs).Although the state-of-the-art method Neural Attention Distillation (NAD) can effectively erase backdoor triggers from DNNs, it still suffers from non-negligible Attack Success Rate (ASR) together with lowered classification ACCuracy (ACC), since NAD focuses on backdoor defense using attention features (i.e., attention maps) of the same order. In this paper, we introduce a novel backdoor defense framework named Attention Relation Graph Distillation (ARGD), which fully explores the correlation among attention features with different orders using our proposed Attention Relation Graphs (ARGs). Based on the alignment of ARGs between both teacher and student models during knowledge distillation, ARGD can eradicate more backdoor triggers than NAD. Comprehensive experimental results show that, against six latest backdoor attacks, ARGD outperforms NAD by up to 94.85% reduction in ASR, while ACC can be improved by up to 3.23%.

Haifeng Wang, Hua Wu, Tian Wu et al.

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.

Ruiyang Qin, Jun Xia, Zhenge Jia et al.

After a large language model (LLM) is deployed on edge devices, it is desirable for these devices to learn from user-generated conversation data to generate user-specific and personalized responses in real-time. However, user-generated data usually contains sensitive and private information, and uploading such data to the cloud for annotation is not preferred if not prohibited. While it is possible to obtain annotation locally by directly asking users to provide preferred responses, such annotations have to be sparse to not affect user experience. In addition, the storage of edge devices is usually too limited to enable large-scale fine-tuning with full user-generated data. It remains an open question how to enable on-device LLM personalization, considering sparse annotation and limited on-device storage. In this paper, we propose a novel framework to select and store the most representative data online in a self-supervised way. Such data has a small memory footprint and allows infrequent requests of user annotations for further fine-tuning. To enhance fine-tuning quality, multiple semantically similar pairs of question texts and expected responses are generated using the LLM. Our experiments show that the proposed framework achieves the best user-specific content-generating capability (accuracy) and fine-tuning speed (performance) compared with vanilla baselines. To the best of our knowledge, this is the very first on-device LLM personalization framework.

Zheng Fang, Ziwei Niu, Ziyue Wang et al.

Surgical scene Multi-Task Federated Learning (MTFL) is essential for robot-assisted minimally invasive surgery (RAS) but remains underexplored in surgical video understanding due to two key challenges: (1) Tissue Diversity: Local models struggle to adapt to site-specific tissue features, limiting their effectiveness in heterogeneous clinical environments and leading to poor local predictions. (2) Task Diversity: Server-side aggregation, relying solely on gradient-based clustering, often produces suboptimal or incorrect parameter updates due to inter-site task heterogeneity, resulting in inaccurate localization. In light of these two issues, we propose SurgFed, a multi-task federated learning framework, enabling federated learning for surgical scene segmentation and depth estimation across diverse surgical types. SurgFed is powered by two appealing designs, i.e., Language-guided Channel Selection (LCS) and Language-guided Hyper Aggregation (LHA), to address the challenge of fully exploration on corss-site and cross-task. Technically, the LCS is first designed a lightweight personalized channel selection network that enhances site-specific adaptation using pre-defined text inputs, which optimally the local model learn the specific embeddings. We further introduce the LHA that employs a layer-wise cross-attention mechanism with pre-defined text inputs to model task interactions across sites and guide a hypernetwork for personalized parameter updates. Extensive empirical evidence shows that SurgFed yields improvements over the state-of-the-art methods in five public datasets across four surgical types. The code is available at https://anonymous.4open.science/r/SurgFed-070E/.

Shufa Wei, Xiaolong Xu, Xianbiao Qi et al.

Large Language Models (LLMs) have demonstrated exceptional capabilities across various natural language processing tasks. Yet, many of these advanced LLMs are tailored for broad, general-purpose applications. In this technical report, we introduce AcademicGPT, designed specifically to empower academic research. AcademicGPT is a continual training model derived from LLaMA2-70B. Our training corpus mainly consists of academic papers, thesis, content from some academic domain, high-quality Chinese data and others. While it may not be extensive in data scale, AcademicGPT marks our initial venture into a domain-specific GPT tailored for research area. We evaluate AcademicGPT on several established public benchmarks such as MMLU and CEval, as well as on some specialized academic benchmarks like PubMedQA, SCIEval, and our newly-created ComputerScienceQA, to demonstrate its ability from general knowledge ability, to Chinese ability, and to academic ability. Building upon AcademicGPT's foundation model, we also developed several applications catered to the academic area, including General Academic Question Answering, AI-assisted Paper Reading, Paper Review, and AI-assisted Title and Abstract Generation.

Ruixuan Liu, Ming Hu, Zeke Xia et al.

Federated Learning (FL) enables collaborative learning of large-scale distributed clients without data sharing. However, due to the disparity of computing resources among massive mobile computing devices, the performance of traditional homogeneous model-based Federated Learning (FL) is seriously limited. On the one hand, to achieve model training in all the diverse clients, mobile computing systems can only use small low-performance models for collaborative learning. On the other hand, devices with high computing resources cannot train a high-performance large model with their insufficient raw data. To address the resource-constrained problem in mobile computing systems, we present a novel heterogeneous FL approach named AdapterFL, which uses a model reassemble strategy to facilitate collaborative training of massive heterogeneous mobile devices adaptively. Specifically, we select multiple candidate heterogeneous models based on the computing performance of massive mobile devices and then divide each heterogeneous model into two partitions. By reassembling the partitions, we can generate models with varied sizes that are combined by the partial parameters of the large model with the partial parameters of the small model. Using these reassembled models for FL training, we can train the partial parameters of the large model using low-performance devices. In this way, we can alleviate performance degradation in large models due to resource constraints. The experimental results show that AdapterFL can achieve up to 12\% accuracy improvement compared to the state-of-the-art heterogeneous federated learning methods in resource-constrained scenarios.

Zhiwei Ling, Zhihao Yue, Jun Xia et al.

Along with the popularity of Artificial Intelligence (AI) and Internet-of-Things (IoT), Federated Learning (FL) has attracted steadily increasing attentions as a promising distributed machine learning paradigm, which enables the training of a central model on for numerous decentralized devices without exposing their privacy. However, due to the biased data distributions on involved devices, FL inherently suffers from low classification accuracy in non-IID scenarios. Although various device grouping method have been proposed to address this problem, most of them neglect both i) distinct data distribution characteristics of heterogeneous devices, and ii) contributions and hazards of local models, which are extremely important in determining the quality of global model aggregation. In this paper, we present an effective FL method named FedEntropy with a novel dynamic device grouping scheme, which makes full use of the above two factors based on our proposed maximum entropy judgement heuristic.Unlike existing FL methods that directly aggregate local models returned from all the selected devices, in one FL round FedEntropy firstly makes a judgement based on the pre-collected soft labels of selected devices and then only aggregates the local models that can maximize the overall entropy of these soft labels. Without collecting local models that are harmful for aggregation, FedEntropy can effectively improve global model accuracy while reducing the overall communication overhead. Comprehensive experimental results on well-known benchmarks show that, FedEntropy not only outperforms state-of-the-art FL methods in terms of model accuracy and communication overhead, but also can be integrated into them to enhance their classification performance.

Shaorong Chen, Jingbo Zhou, Jun Xia

The discovery of novel proteins relies on sensitive protein identification, for which de novo peptide sequencing (DNPS) from mass spectra is a crucial approach. While deep learning has advanced DNPS, existing models inadequately enforce the fundamental mass consistency constraint, that a predicted peptide's mass must match the experimental measured precursor mass. Previous DNPS methods often treat this critical information as a simple input feature or use it in post-processing, leading to numerous implausible predictions that do not adhere to this fundamental physical property. To address this limitation, we introduce DiffuNovo, a novel regressor-guided diffusion model for de novo peptide sequencing that provides explicit peptide-level mass control. Our approach integrates the mass constraint at two critical stages: during training, a novel peptide-level mass loss guides model optimization, while at inference, regressor-based guidance from gradient-based updates in the latent space steers the generation to compel the predicted peptide adheres to the mass constraint. Comprehensive evaluations on established benchmarks demonstrate that DiffuNovo surpasses state-of-the-art methods in DNPS accuracy. Additionally, as the first DNPS model to employ a diffusion model as its core backbone, DiffuNovo leverages the powerful controllability of diffusion architecture and achieves a significant reduction in mass error, thereby producing much more physically plausible peptides. These innovations represent a substantial advancement toward robust and broadly applicable DNPS. The source code is available in the supplementary material.

Xingwu Sun, Yanfeng Chen, Yiqing Huang et al. · tencent-ai

In this paper, we introduce Hunyuan-Large, which is currently the largest open-source Transformer-based mixture of experts model, with a total of 389 billion parameters and 52 billion activation parameters, capable of handling up to 256K tokens. We conduct a thorough evaluation of Hunyuan-Large's superior performance across various benchmarks including language understanding and generation, logical reasoning, mathematical problem-solving, coding, long-context, and aggregated tasks, where it outperforms LLama3.1-70B and exhibits comparable performance when compared to the significantly larger LLama3.1-405B model. Key practice of Hunyuan-Large include large-scale synthetic data that is orders larger than in previous literature, a mixed expert routing strategy, a key-value cache compression technique, and an expert-specific learning rate strategy. Additionally, we also investigate the scaling laws and learning rate schedule of mixture of experts models, providing valuable insights and guidances for future model development and optimization. The code and checkpoints of Hunyuan-Large are released to facilitate future innovations and applications. Codes: https://github.com/Tencent/Hunyuan-Large Models: https://huggingface.co/tencent/Tencent-Hunyuan-Large

Yue Liu, Hongcheng Gao, Shengfang Zhai et al. · tsinghua

As LLMs increasingly impact safety-critical applications, ensuring their safety using guardrails remains a key challenge. This paper proposes GuardReasoner, a new safeguard for LLMs, by guiding the guard model to learn to reason. Concretely, we first create the GuardReasonerTrain dataset, which consists of 127K samples with 460K detailed reasoning steps. Then, we introduce reasoning SFT to unlock the reasoning capability of guard models. In addition, we present hard sample DPO to further strengthen their reasoning ability. In this manner, GuardReasoner achieves better performance, explainability, and generalizability. Extensive experiments and analyses on 13 benchmarks of 3 guardrail tasks demonstrate its superiority. Remarkably, GuardReasoner 8B surpasses GPT-4o+CoT by 5.74% and LLaMA Guard 3 8B by 20.84% F1 score on average. We release the training data, code, and models with different scales (1B, 3B, 8B) of GuardReasoner : https://github.com/yueliu1999/GuardReasoner/.

Yue Liu, Jiaying Wu, Yufei He et al. · pku, tsinghua

Large Reasoning Models (LRMs) significantly improve the reasoning ability of Large Language Models (LLMs) by learning to reason, exhibiting promising performance in solving complex tasks. However, their deliberative reasoning process leads to inefficiencies in token usage, memory consumption, and inference time. Thus, this survey provides a review of efficient inference methods designed specifically for LRMs, focusing on mitigating token inefficiency while preserving the reasoning quality. The overview structure of this paper is shown in Figure~\ref{fig:paper_structure}. First, we introduce a taxonomy to group the recent methods into two main categories: (a) explicit compact Chain-of-Thought (CoT), which reduces tokens while keeping the explicit reasoning structure, and (b) implicit latent CoT, which encodes reasoning steps within hidden representations instead of explicit tokens. Meanwhile, we discuss their strengths and weaknesses. Then, we conduct empirical analyses on existing methods from reasoning scenarios, object functions, and performance \& efficiency aspects. Besides, we present open challenges in this field, including human-centric controllable reasoning, trade-off between interpretability and efficiency of reasoning, ensuring the safety of efficient reasoning, and broader applications of efficient reasoning. In addition, we highlight key insights for enhancing LRMs' inference efficiency via techniques such as model merging, new architectures, and agent routers. We hope this work serves as a valuable guide, helping researchers overcome challenges in this vibrant field. A collection of efficient reasoning methods for LRMs (papers and codes) is provided at this link: https://github.com/yueliu1999/Awesome-Efficient-Inference-for-LRMs.

Dengke Yan, Ming Hu, Zeke Xia et al.

Due to its advantages in resource constraint scenarios, Split Federated Learning (SFL) is promising in AIoT systems. However, due to data heterogeneity and stragglers, SFL suffers from the challenges of low inference accuracy and low efficiency. To address these issues, this paper presents a novel SFL approach, named Sliding Split Federated Learning (S$^2$FL), which adopts an adaptive sliding model split strategy and a data balance-based training mechanism. By dynamically dispatching different model portions to AIoT devices according to their computing capability, S$^2$FL can alleviate the low training efficiency caused by stragglers. By combining features uploaded by devices with different data distributions to generate multiple larger batches with a uniform distribution for back-propagation, S$^2$FL can alleviate the performance degradation caused by data heterogeneity. Experimental results demonstrate that, compared to conventional SFL, S$^2$FL can achieve up to 16.5\% inference accuracy improvement and 3.54X training acceleration.

Jun Xia, Zhihao Yue, Yingbo Zhou et al.

Due to the popularity of Artificial Intelligence (AI) technology, numerous backdoor attacks are designed by adversaries to mislead deep neural network predictions by manipulating training samples and training processes. Although backdoor attacks are effective in various real scenarios, they still suffer from the problems of both low fidelity of poisoned samples and non-negligible transfer in latent space, which make them easily detectable by existing backdoor detection algorithms. To overcome the weakness, this paper proposes a novel frequency-based backdoor attack method named WaveAttack, which obtains image high-frequency features through Discrete Wavelet Transform (DWT) to generate backdoor triggers. Furthermore, we introduce an asymmetric frequency obfuscation method, which can add an adaptive residual in the training and inference stage to improve the impact of triggers and further enhance the effectiveness of WaveAttack. Comprehensive experimental results show that WaveAttack not only achieves higher stealthiness and effectiveness, but also outperforms state-of-the-art (SOTA) backdoor attack methods in the fidelity of images by up to 28.27\% improvement in PSNR, 1.61\% improvement in SSIM, and 70.59\% reduction in IS.

Siyuan Li, Luyuan Zhang, Zedong Wang et al.

As the deep learning revolution marches on, self-supervised learning has garnered increasing attention in recent years thanks to its remarkable representation learning ability and the low dependence on labeled data. Among these varied self-supervised techniques, masked modeling has emerged as a distinctive approach that involves predicting parts of the original data that are proportionally masked during training. This paradigm enables deep models to learn robust representations and has demonstrated exceptional performance in the context of computer vision, natural language processing, and other modalities. In this survey, we present a comprehensive review of the masked modeling framework and its methodology. We elaborate on the details of techniques within masked modeling, including diverse masking strategies, recovering targets, network architectures, and more. Then, we systematically investigate its wide-ranging applications across domains. Furthermore, we also explore the commonalities and differences between masked modeling methods in different fields. Toward the end of this paper, we conclude by discussing the limitations of current techniques and point out several potential avenues for advancing masked modeling research. A paper list project with this survey is available at \url{https://github.com/Lupin1998/Awesome-MIM}.

Yue Liu, Shihao Zhu, Jun Xia et al.

Intent learning, which aims to learn users' intents for user understanding and item recommendation, has become a hot research spot in recent years. However, existing methods suffer from complex and cumbersome alternating optimization, limiting performance and scalability. To this end, we propose a novel intent learning method termed \underline{ELCRec}, by unifying behavior representation learning into an \underline{E}nd-to-end \underline{L}earnable \underline{C}lustering framework, for effective and efficient \underline{Rec}ommendation. Concretely, we encode user behavior sequences and initialize the cluster centers (latent intents) as learnable neurons. Then, we design a novel learnable clustering module to separate different cluster centers, thus decoupling users' complex intents. Meanwhile, it guides the network to learn intents from behaviors by forcing behavior embeddings close to cluster centers. This allows simultaneous optimization of recommendation and clustering via mini-batch data. Moreover, we propose intent-assisted contrastive learning by using cluster centers as self-supervision signals, further enhancing mutual promotion. Both experimental results and theoretical analyses demonstrate the superiority of ELCRec from six perspectives. Compared to the runner-up, ELCRec improves NDCG@5 by 8.9\% and reduces computational costs by 22.5\% on the Beauty dataset. Furthermore, due to the scalability and universal applicability, we deploy this method on the industrial recommendation system with 130 million page views and achieve promising results. The codes are available on GitHub (https://github.com/yueliu1999/ELCRec). A collection (papers, codes, datasets) of deep group recommendation/intent learning methods is available on GitHub (https://github.com/yueliu1999/Awesome-Deep-Group-Recommendation).

Zixuan Pan, Jun Xia, Zheyu Yan et al.

Reconstruction-based methods, particularly those leveraging autoencoders, have been widely adopted for anomaly detection task in brain MRI. Unlike most existing works try to improve the task accuracy through architectural or algorithmic innovations, we tackle this task from image quality assessment (IQA) perspective, an under-explored direction in the field. Due to the limitations of conventional metrics such as l1 in capturing the nuanced differences in reconstructed images for medical anomaly detection, we propose fusion quality, a novel metric that wisely integrates the structure-level sensitivity of Structural Similarity Index Measure (SSIM) with the pixel-level precision of l1. The metric offers a more comprehensive assessment of reconstruction quality, considering intensity (subtractive property of l1 and divisive property of SSIM), contrast, and structural similarity. Furthermore, the proposed metric makes subtle regional variations more impactful in the final assessment. Thus, considering the inherent divisive properties of SSIM, we design an average intensity ratio (AIR)-based data transformation that amplifies the divisive discrepancies between normal and abnormal regions, thereby enhancing anomaly detection. By fusing the aforementioned two components, we devise the IQA approach. Experimental results on two distinct brain MRI datasets show that our IQA approach significantly enhances medical anomaly detection performance when integrated with state-of-the-art baselines.

Zhangyang Gao, Daize Dong, Cheng Tan et al.

Can we model Non-Euclidean graphs as pure language or even Euclidean vectors while retaining their inherent information? The Non-Euclidean property have posed a long term challenge in graph modeling. Despite recent graph neural networks and graph transformers efforts encoding graphs as Euclidean vectors, recovering the original graph from vectors remains a challenge. In this paper, we introduce GraphsGPT, featuring an Graph2Seq encoder that transforms Non-Euclidean graphs into learnable Graph Words in the Euclidean space, along with a GraphGPT decoder that reconstructs the original graph from Graph Words to ensure information equivalence. We pretrain GraphsGPT on $100$M molecules and yield some interesting findings: (1) The pretrained Graph2Seq excels in graph representation learning, achieving state-of-the-art results on $8/9$ graph classification and regression tasks. (2) The pretrained GraphGPT serves as a strong graph generator, demonstrated by its strong ability to perform both few-shot and conditional graph generation. (3) Graph2Seq+GraphGPT enables effective graph mixup in the Euclidean space, overcoming previously known Non-Euclidean challenges. (4) The edge-centric pretraining framework GraphsGPT demonstrates its efficacy in graph domain tasks, excelling in both representation and generation. Code is available at \href{https://github.com/A4Bio/GraphsGPT}{GitHub}.

Cheng Tan, Zhenxiao Cao, Zhangyang Gao et al.

Post-translational modifications (PTMs) profoundly expand the complexity and functionality of the proteome, regulating protein attributes and interactions that are crucial for biological processes. Accurately predicting PTM sites and their specific types is therefore essential for elucidating protein function and understanding disease mechanisms. Existing computational approaches predominantly focus on protein sequences to predict PTM sites, driven by the recognition of sequence-dependent motifs. However, these approaches often overlook protein structural contexts. In this work, we first compile a large-scale sequence-structure PTM dataset, which serves as the foundation for fair comparison. We introduce the MeToken model, which tokenizes the micro-environment of each amino acid, integrating both sequence and structural information into unified discrete tokens. This model not only captures the typical sequence motifs associated with PTMs but also leverages the spatial arrangements dictated by protein tertiary structures, thus providing a holistic view of the factors influencing PTM sites. Designed to address the long-tail distribution of PTM types, MeToken employs uniform sub-codebooks that ensure even the rarest PTMs are adequately represented and distinguished. We validate the effectiveness and generalizability of MeToken across multiple datasets, demonstrating its superior performance in accurately identifying PTM types. The results underscore the importance of incorporating structural data and highlight MeToken's potential in facilitating accurate and comprehensive PTM predictions, which could significantly impact proteomics research. The code and datasets are available at https://github.com/A4Bio/MeToken.

Jingbo Zhou, Jun Xia, Siyuan Li et al.

Graph Transformer has demonstrated impressive capabilities in the field of graph representation learning. However, existing approaches face two critical challenges: (1) most models suffer from exponentially increasing computational complexity, making it difficult to scale to large graphs; (2) attention mechanisms based on node-level operations limit the flexibility of the model and result in poor generalization performance in out-of-distribution (OOD) scenarios. To address these issues, we propose \textbf{VecFormer} (the \textbf{Vec}tor Quantized Graph Trans\textbf{former}), an efficient and highly generalizable model for node classification, particularly under OOD settings. VecFormer adopts a two-stage training paradigm. In the first stage, two codebooks are used to reconstruct the node features and the graph structure, aiming to learn the rich semantic \texttt{Graph Codes}. In the second stage, attention mechanisms are performed at the \texttt{Graph Token} level based on the transformed cross codebook, reducing computational complexity while enhancing the model's generalization capability. Extensive experiments on datasets of various sizes demonstrate that VecFormer outperforms the existing Graph Transformer in both performance and speed.

Xueyang Li, Mingze Jiang, Gelei Xu et al.

Agentic AI is advancing rapidly, yet truly autonomous medical-imaging triage, where a system decides when to stop, escalate, or defer under real constraints, remains relatively underexplored. To address this gap, we introduce AT-CXR, an uncertainty-aware agent for chest X-rays. The system estimates per-case confidence and distributional fit, then follows a stepwise policy to issue an automated decision or abstain with a suggested label for human intervention. We evaluate two router designs that share the same inputs and actions: a deterministic rule-based router and an LLM-decided router. Across five-fold evaluation on a balanced subset of NIH ChestX-ray14 dataset, both variants outperform strong zero-shot vision-language models and state-of-the-art supervised classifiers, achieving higher full-coverage accuracy and superior selective-prediction performance, evidenced by a lower area under the risk-coverage curve (AURC) and a lower error rate at high coverage, while operating with lower latency that meets practical clinical constraints. The two routers provide complementary operating points, enabling deployments to prioritize maximal throughput or maximal accuracy. Our code is available at https://github.com/XLIAaron/uncertainty-aware-cxr-agent.

Zixuan Pan, Kaiyuan Tang, Jun Xia et al.

2D Gaussian Splatting has emerged as a novel image representation technique that can support efficient rendering on low-end devices. However, scaling to high-resolution images requires optimizing and storing millions of unstructured Gaussian primitives independently, leading to slow convergence and redundant parameters. To address this, we propose Structured Gaussian Image (SGI), a compact and efficient framework for representing high-resolution images. SGI decomposes a complex image into multi-scale local spaces defined by a set of seeds. Each seed corresponds to a spatially coherent region and, together with lightweight multi-layer perceptrons (MLPs), generates structured implicit 2D neural Gaussians. This seed-based formulation imposes structural regularity on otherwise unstructured Gaussian primitives, which facilitates entropy-based compression at the seed level to reduce the total storage. However, optimizing seed parameters directly on high-resolution images is a challenging and non-trivial task. Therefore, we designed a multi-scale fitting strategy that refines the seed representation in a coarse-to-fine manner, substantially accelerating convergence. Quantitative and qualitative evaluations demonstrate that SGI achieves up to 7.5x compression over prior non-quantized 2D Gaussian methods and 1.6x over quantized ones, while also delivering 1.6x and 6.5x faster optimization, respectively, without degrading, and often improving, image fidelity. Code is available at https://github.com/zx-pan/SGI.

Yiran Zhu, Changxi Chi, Hongxin Xiang et al.

Protein inverse folding aims to design an amino acid sequence that will fold into a given backbone structure, serving as a central task in protein design. Two main paradigms have been widely explored. Template-based methods exploit database-derived structural priors and can achieve high local precision when close structural neighbors are available, but their dependence on database coverage and match quality often degrades performance on out-of-distribution (OOD) targets. Deep learning approaches, in contrast, learn general structure-to-sequence regularities and usually generalize better to new backbones. However, they struggle to capture fine-grained local structure, which can cause uncertain residue predictions and missed local motifs in ambiguous regions. We introduce Refold, a novel framework that synergistically integrates the strengths of database-derived structural priors and deep learning prediction to enhance inverse folding. Refold obtains structural priors from matched neighbors and fuses them with model predictions to refine residue probabilities. In practice, low-quality neighbors can introduce noise, potentially degrading model performance. We address this issue with a Dynamic Utility Gate that controls prior injection and falls back to the base prediction when the priors are untrustworthy. Comprehensive evaluations on standard benchmarks demonstrate that Refold achieves state-of-the-art native sequence recovery of 0.63 on both CATH 4.2 and CATH 4.3. Also, analysis indicates that Refold delivers larger gains on high-uncertainty regions, reflecting the complementarity between structural priors and deep learning predictions.

Yue Liu, Ke Liang, Jun Xia et al.

Deep graph clustering, which aims to group the nodes of a graph into disjoint clusters with deep neural networks, has achieved promising progress in recent years. However, the existing methods fail to scale to the large graph with million nodes. To solve this problem, a scalable deep graph clustering method (Dink-Net) is proposed with the idea of dilation and shrink. Firstly, by discriminating nodes, whether being corrupted by augmentations, representations are learned in a self-supervised manner. Meanwhile, the cluster centres are initialized as learnable neural parameters. Subsequently, the clustering distribution is optimized by minimizing the proposed cluster dilation loss and cluster shrink loss in an adversarial manner. By these settings, we unify the two-step clustering, i.e., representation learning and clustering optimization, into an end-to-end framework, guiding the network to learn clustering-friendly features. Besides, Dink-Net scales well to large graphs since the designed loss functions adopt the mini-batch data to optimize the clustering distribution even without performance drops. Both experimental results and theoretical analyses demonstrate the superiority of our method. Compared to the runner-up, Dink-Net achieves 9.62% NMI improvement on the ogbn-papers100M dataset with 111 million nodes and 1.6 billion edges. The source code is released at https://github.com/yueliu1999/Dink-Net. Besides, a collection (papers, codes, and datasets) of deep graph clustering is shared at https://github.com/yueliu1999/Awesome-Deep-Graph-Clustering.

Yifan Qin, Zheyu Yan, Dailin Gan et al.

Compute-in-memory accelerators built upon non-volatile memory devices excel in energy efficiency and latency when performing deep neural network (DNN) inference, thanks to their in-situ data processing capability. However, the stochastic nature and intrinsic variations of non-volatile memory devices often result in performance degradation during DNN inference. Introducing these non-ideal device behaviors in DNN training enhances robustness, but drawbacks include limited accuracy improvement, reduced prediction confidence, and convergence issues. This arises from a mismatch between the deterministic training and non-deterministic device variations, as such training, though considering variations, relies solely on the model's final output. In this work, inspired by control theory, we propose Negative Feedback Training (NeFT), a novel concept supported by theoretical analysis, to more effectively capture the multi-scale noisy information throughout the network. We instantiate this concept with two specific instances, oriented variational forward (OVF) and intermediate representation snapshot (IRS). Based on device variation models extracted from measured data, extensive experiments show that our NeFT outperforms existing state-of-the-art methods with up to a 45.08% improvement in inference accuracy while reducing epistemic uncertainty, boosting output confidence, and improving convergence probability. These results underline the generality and practicality of our NeFT framework for increasing the robustness of DNNs against device variations. The source code for these two instances is available at https://github.com/YifanQin-ND/NeFT_CIM

Jingbo Zhou, Yixuan Du, Ruqiong Zhang et al.

Graph Neural Networks (GNNs), a type of neural network that can learn from graph-structured data through neighborhood information aggregation, have shown superior performance in various downstream tasks. However, as the number of layers increases, node representations become indistinguishable, which is known as over-smoothing. To address this issue, many residual methods have emerged. In this paper, we focus on the over-smoothing issue and related residual methods. Firstly, we revisit over-smoothing from the perspective of overlapping neighborhood subgraphs, and based on this, we explain how residual methods can alleviate over-smoothing by integrating multiple orders neighborhood subgraphs to avoid the indistinguishability of the single high-order neighborhood subgraphs. Additionally, we reveal the drawbacks of previous residual methods, such as the lack of node adaptability and severe loss of high-order neighborhood subgraph information, and propose a \textbf{Posterior-Sampling-based, Node-Adaptive Residual module (PSNR)}. We theoretically demonstrate that PSNR can alleviate the drawbacks of previous residual methods. Furthermore, extensive experiments verify the superiority of the PSNR module in fully observed node classification and missing feature scenarios. Our code is available at https://github.com/jingbo02/PSNR-GNN.

Ming Li, Yingying Fang, Zeyu Tang et al.

The upheaval brought by the arrival of the COVID-19 pandemic has continued to bring fresh challenges over the past two years. During this COVID-19 pandemic, there has been a need for rapid identification of infected patients and specific delineation of infection areas in computed tomography (CT) images. Although deep supervised learning methods have been established quickly, the scarcity of both image-level and pixel-level labels as well as the lack of explainable transparency still hinder the applicability of AI. Can we identify infected patients and delineate the infections with extreme minimal supervision? Semi-supervised learning has demonstrated promising performance under limited labelled data and sufficient unlabelled data. Inspired by semi-supervised learning, we propose a model-agnostic calibrated pseudo-labelling strategy and apply it under a consistency regularization framework to generate explainable identification and delineation results. We demonstrate the effectiveness of our model with the combination of limited labelled data and sufficient unlabelled data or weakly-labelled data. Extensive experiments have shown that our model can efficiently utilize limited labelled data and provide explainable classification and segmentation results for decision-making in clinical routine. The code is available at https://github.com/ayanglab/XAI COVID-19.

Jiahao Huang, Yingying Fang, Yinzhe Wu et al.

Magnetic resonance imaging (MRI) is an important non-invasive clinical tool that can produce high-resolution and reproducible images. However, a long scanning time is required for high-quality MR images, which leads to exhaustion and discomfort of patients, inducing more artefacts due to voluntary movements of the patients and involuntary physiological movements. To accelerate the scanning process, methods by k-space undersampling and deep learning based reconstruction have been popularised. This work introduced SwinMR, a novel Swin transformer based method for fast MRI reconstruction. The whole network consisted of an input module (IM), a feature extraction module (FEM) and an output module (OM). The IM and OM were 2D convolutional layers and the FEM was composed of a cascaded of residual Swin transformer blocks (RSTBs) and 2D convolutional layers. The RSTB consisted of a series of Swin transformer layers (STLs). The shifted windows multi-head self-attention (W-MSA/SW-MSA) of STL was performed in shifted windows rather than the multi-head self-attention (MSA) of the original transformer in the whole image space. A novel multi-channel loss was proposed by using the sensitivity maps, which was proved to reserve more textures and details. We performed a series of comparative studies and ablation studies in the Calgary-Campinas public brain MR dataset and conducted a downstream segmentation experiment in the Multi-modal Brain Tumour Segmentation Challenge 2017 dataset. The results demonstrate our SwinMR achieved high-quality reconstruction compared with other benchmark methods, and it shows great robustness with different undersampling masks, under noise interruption and on different datasets. The code is publicly available at https://github.com/ayanglab/SwinMR.