Wentao Li

Zongwei Wang, Min Gao, Wentao Li et al.

The acquisition of explicit user feedback (e.g., ratings) in real-world recommender systems is often hindered by the need for active user involvement. To mitigate this issue, implicit feedback (e.g., clicks) generated during user browsing is exploited as a viable substitute. However, implicit feedback possesses a high degree of noise, which significantly undermines recommendation quality. While many methods have been proposed to address this issue by assigning varying weights to implicit feedback, two shortcomings persist: (1) the weight calculation in these methods is iteration-independent, without considering the influence of weights in previous iterations, and (2) the weight calculation often relies on prior knowledge, which may not always be readily available or universally applicable. To overcome these two limitations, we model recommendation denoising as a bi-level optimization problem. The inner optimization aims to derive an effective model for the recommendation, as well as guiding the weight determination, thereby eliminating the need for prior knowledge. The outer optimization leverages gradients of the inner optimization and adjusts the weights in a manner considering the impact of previous weights. To efficiently solve this bi-level optimization problem, we employ a weight generator to avoid the storage of weights and a one-step gradient-matching-based loss to significantly reduce computational time. The experimental results on three benchmark datasets demonstrate that our proposed approach outperforms both state-of-the-art general and denoising recommendation models. The code is available at https://github.com/CoderWZW/BOD.

Kimi Team, Tongtong Bai, Yifan Bai et al.

We introduce Kimi K2.5, an open-source multimodal agentic model designed to advance general agentic intelligence. K2.5 emphasizes the joint optimization of text and vision so that two modalities enhance each other. This includes a series of techniques such as joint text-vision pre-training, zero-vision SFT, and joint text-vision reinforcement learning. Building on this multimodal foundation, K2.5 introduces Agent Swarm, a self-directed parallel agent orchestration framework that dynamically decomposes complex tasks into heterogeneous sub-problems and executes them concurrently. Extensive evaluations show that Kimi K2.5 achieves state-of-the-art results across various domains including coding, vision, reasoning, and agentic tasks. Agent Swarm also reduces latency by up to $4.5\times$ over single-agent baselines. We release the post-trained Kimi K2.5 model checkpoint to facilitate future research and real-world applications of agentic intelligence.

Ganqu Cui, Wentao Li, Ning Ding et al. · tsinghua

With the evergrowing sizes of pre-trained models (PTMs), it has been an emerging practice to only provide the inference APIs for users, namely model-as-a-service (MaaS) setting. To adapt PTMs with model parameters frozen, most current approaches focus on the input side, seeking for powerful prompts to stimulate models for correct answers. However, we argue that input-side adaptation could be arduous due to the lack of gradient signals and they usually require thousands of API queries, resulting in high computation and time costs. In light of this, we present Decoder Tuning (DecT), which in contrast optimizes task-specific decoder networks on the output side. Specifically, DecT first extracts prompt-stimulated output scores for initial predictions. On top of that, we train an additional decoder network on the output representations to incorporate posterior data knowledge. By gradient-based optimization, DecT can be trained within several seconds and requires only one PTM query per sample. Empirically, we conduct extensive natural language understanding experiments and show that DecT significantly outperforms state-of-the-art algorithms with a $200\times$ speed-up.

Wenxuan Xia, Mingyu Yang, Wentao Li et al.

Approximate k-Nearest Neighbor (AKNN) search is widely used in vector databases. When vectors carry additional attributes (e.g., labels or numerical values), filtered AKNN search retrieves the nearest vectors to a query vector under attribute constraints. Most existing methods use a fixed termination condition, searching the entire index while respecting attribute filters. However, this leads to substantial redundant computations, since different queries require different amounts of search effort, and thus misses early termination opportunities for easy queries. This paper proposes a lightweight model to estimate the search cost of filtered AKNN queries and enable adaptive termination: For easy queries, the search stops early to reduce latency, while for hard queries, it continues longer to preserve accuracy. The key challenge is accurate cost prediction under attribute filters. To address this, we show that information collected during an early probing phase (e.g., attribute distributions and intermediate distance statistics) can effectively predict the overall search cost. Experiments on six real-world datasets demonstrate 1.1-3.7 speedup over state-of-the-art baselines at 95% recall, while maintaining search accuracy.

Wenxuan Xia, Mingyu Yang, Wentao Li et al.

Reverse k-nearest neighbor (RkNN) search returns all data points that regard a query vector as one of their k-nearest neighbors (kNNs). Existing RkNN methods typically follow a filter-and-verification framework: vectors near the query vector are first collected as candidates and then verified against their kNN-radius (i.e., the distance to their k-th nearest neighbor). However, existing methods face two key limitations in high-dimensional spaces. First, nearby vectors often do not belong to the query's true RkNN set, resulting in excessive candidate expansion overhead. Second, existing methods compute kNN-radius online during verification, incurring substantial query-processing cost. To address these limitations, we propose HRNN, a hybrid graph index for approximate RkNN search. (1) Rather than directly treating nearby vectors as RkNN candidates, HRNN uses them as proxy points based on the assumption that a query's RkNN results can often be discovered through the RkNN results of its nearby vectors. (2) To reduce verification cost, HRNN materializes high-fidelity kNN-radius offline, eliminating expensive online reconstruction while preserving accuracy. HRNN combines a navigation graph, a ranked KNN graph, and reverse-neighbor lists into a hybrid index that supports efficient proxy retrieval, candidate generation, and kNN-radius access. We also develop efficient index construction and append-only maintenance algorithms. Extensive experiments show that HRNN consistently outperforms existing methods, achieving up to one order of magnitude higher throughput. Moreover, HRNN scales to datasets containing up to 10 million high-dimensional vectors while supporting efficient dynamic index maintenance.

Wuhan Chen, Min Gao, Xin Xia et al.

Large language models (LLMs) have recently shown promise in recommendation by providing rich semantic knowledge. While most existing approaches rely on external textual corpora to align LLMs with recommender systems, we revisit a more fundamental yet underexplored question: Can recommendation benefit from LLM token embeddings alone without textual input? Through a systematic empirical study, we show that directly injecting token embeddings from a single LLM into sequential recommenders leads to unstable or limited gains, due to semantic misalignment, insufficient task adaptation, and the restricted coverage of individual LLMs. To address these challenges, we propose MLTFR, a Multi-LLM Token Filtering and Routing framework for corpus-free sequential recommendation. MLTFR follows an interaction-guided LLM knowledge integration paradigm, where task-relevant token embeddings are selected via user-guided token filtering to suppress noisy and irrelevant vocabulary signals. To overcome the limitations of single-LLM representations, MLTFR integrates multiple LLM token spaces through a Mixture-of-Experts architecture, with a Fisher-weighted semantic consensus expert to balance heterogeneous experts and prevent domination during training. By jointly filtering informative tokens and aggregating complementary semantic knowledge across multiple LLMs, MLTFR enables stable and effective utilization of LLM token embeddings without textual inputs or backbone modification. Extensive experiments demonstrate that MLTFR consistently outperforms state-of-the-art sequential recommendation baselines and existing alignment methods. Our code is available at: https://github.com/ccwwhhh/MLTFR.

Xiangyi Gao, Danpei Zhao, Bo Yuan et al.

Knowledge distillation is an effective and hardware-friendly method, which plays a key role in lightweighting remote sensing object detection. However, existing distillation methods often encounter the issue of mixed features in remote sensing images (RSIs), and neglect the discrepancies caused by subtle feature variations, leading to entangled knowledge confusion. To address these challenges, we propose an architecture-agnostic distillation method named Dual-Stream Spectral Decoupling Distillation (DS2D2) for universal remote sensing object detection tasks. Specifically, DS2D2 integrates explicit and implicit distillation grounded in spectral decomposition. Firstly, the first-order wavelet transform is applied for spectral decomposition to preserve the critical spatial characteristics of RSIs. Leveraging this spatial preservation, a Density-Independent Scale Weight (DISW) is designed to address the challenges of dense and small object detection common in RSIs. Secondly, we show implicit knowledge hidden in subtle student-teacher feature discrepancies, which significantly influence predictions when activated by detection heads. This implicit knowledge is extracted via full-frequency and high-frequency amplifiers, which map feature differences to prediction deviations. Extensive experiments on DIOR and DOTA datasets validate the effectiveness of the proposed method. Specifically, on DIOR dataset, DS2D2 achieves improvements of 4.2% in AP50 for RetinaNet and 3.8% in AP50 for Faster R-CNN, outperforming existing distillation approaches. The source code will be available at https://github.com/PolarAid/DS2D2.

Haoli Bai, Zhiguang Liu, Xiaojun Meng et al.

Unsupervised pre-training on millions of digital-born or scanned documents has shown promising advances in visual document understanding~(VDU). While various vision-language pre-training objectives are studied in existing solutions, the document textline, as an intrinsic granularity in VDU, has seldom been explored so far. A document textline usually contains words that are spatially and semantically correlated, which can be easily obtained from OCR engines. In this paper, we propose Wukong-Reader, trained with new pre-training objectives to leverage the structural knowledge nested in document textlines. We introduce textline-region contrastive learning to achieve fine-grained alignment between the visual regions and texts of document textlines. Furthermore, masked region modeling and textline-grid matching are also designed to enhance the visual and layout representations of textlines. Experiments show that our Wukong-Reader has superior performance on various VDU tasks such as information extraction. The fine-grained alignment over textlines also empowers Wukong-Reader with promising localization ability.

Yanjun Lyu, Zihao Wu, Lu Zhang et al.

Pre-trained large language models(LLMs) have attracted increasing attention in biomedical domains due to their success in natural language processing. However, the complex traits and heterogeneity of multi-sources genomics data pose significant challenges when adapting these models to the bioinformatics and biomedical field. To address these challenges, we present GP-GPT, the first specialized large language model for genetic-phenotype knowledge representation and genomics relation analysis. Our model is fine-tuned in two stages on a comprehensive corpus composed of over 3,000,000 terms in genomics, proteomics, and medical genetics, derived from multiple large-scale validated datasets and scientific publications. GP-GPT demonstrates proficiency in accurately retrieving medical genetics information and performing common genomics analysis tasks, such as genomics information retrieval and relationship determination. Comparative experiments across domain-specific tasks reveal that GP-GPT outperforms state-of-the-art LLMs, including Llama2, Llama3 and GPT-4. These results highlight GP-GPT's potential to enhance genetic disease relation research and facilitate accurate and efficient analysis in the fields of genomics and medical genetics. Our investigation demonstrated the subtle changes of bio-factor entities' representations in the GP-GPT, which suggested the opportunities for the application of LLMs to advancing gene-phenotype research.

Manqing Dong, Zhanxiang Zhao, Yitong Geng et al.

Time series anomaly detection is crucial for industrial monitoring services that handle a large volume of data, aiming to ensure reliability and optimize system performance. Existing methods often require extensive labeled resources and manual parameter selection, highlighting the need for automation. This paper proposes a comprehensive framework for automatic parameter optimization in time series anomaly detection models. The framework introduces three optimization targets: prediction score, shape score, and sensitivity score, which can be easily adapted to different model backbones without prior knowledge or manual labeling efforts. The proposed framework has been successfully applied online for over six months, serving more than 50,000 time series every minute. It simplifies the user's experience by requiring only an expected sensitive value, offering a user-friendly interface, and achieving desired detection results. Extensive evaluations conducted on public datasets and comparison with other methods further confirm the effectiveness of the proposed framework.

Kimi Team, Yu Zhang, Zongyu Lin et al.

We introduce Kimi Linear, a hybrid linear attention architecture that, for the first time, outperforms full attention under fair comparisons across various scenarios -- including short-context, long-context, and reinforcement learning (RL) scaling regimes. At its core lies Kimi Delta Attention (KDA), an expressive linear attention module that extends Gated DeltaNet with a finer-grained gating mechanism, enabling more effective use of limited finite-state RNN memory. Our bespoke chunkwise algorithm achieves high hardware efficiency through a specialized variant of the Diagonal-Plus-Low-Rank (DPLR) transition matrices, which substantially reduces computation compared to the general DPLR formulation while remaining more consistent with the classical delta rule. We pretrain a Kimi Linear model with 3B activated parameters and 48B total parameters, based on a layerwise hybrid of KDA and Multi-Head Latent Attention (MLA). Our experiments show that with an identical training recipe, Kimi Linear outperforms full MLA with a sizeable margin across all evaluated tasks, while reducing KV cache usage by up to 75% and achieving up to 6 times decoding throughput for a 1M context. These results demonstrate that Kimi Linear can be a drop-in replacement for full attention architectures with superior performance and efficiency, including tasks with longer input and output lengths. To support further research, we open-source the KDA kernel and vLLM implementations, and release the pre-trained and instruction-tuned model checkpoints.

Bo Yuan, Danpei Zhao, Zhuoran Liu et al.

Continual learning (CL) breaks off the one-way training manner and enables a model to adapt to new data, semantics and tasks continuously. However, current CL methods mainly focus on single tasks. Besides, CL models are plagued by catastrophic forgetting and semantic drift since the lack of old data, which often occurs in remote-sensing interpretation due to the intricate fine-grained semantics. In this paper, we propose Continual Panoptic Perception (CPP), a unified continual learning model that leverages multi-task joint learning covering pixel-level classification, instance-level segmentation and image-level perception for universal interpretation in remote sensing images. Concretely, we propose a collaborative cross-modal encoder (CCE) to extract the input image features, which supports pixel classification and caption generation synchronously. To inherit the knowledge from the old model without exemplar memory, we propose a task-interactive knowledge distillation (TKD) method, which leverages cross-modal optimization and task-asymmetric pseudo-labeling (TPL) to alleviate catastrophic forgetting. Furthermore, we also propose a joint optimization mechanism to achieve end-to-end multi-modal panoptic perception. Experimental results on the fine-grained panoptic perception dataset validate the effectiveness of the proposed model, and also prove that joint optimization can boost sub-task CL efficiency with over 13\% relative improvement on panoptic quality.

Jiangjie Qiu, Yijun Li, Wentao Li et al.

Property-conditional molecular generation should produce valid, diverse molecules while responding to continuous target values at low sampling cost. We introduce DriftingMol, a two-stage framework that adapts drifting models to a SELFIES latent molecular space. A frozen SELFIES beta-VAE provides the latent space, and the hidden representation of its decoder serves as the drift feature map. In decoder-coupled drift, decoder weights remain fixed, but drift gradients are backpropagated through the decoder feature map to a DiT generator, inducing a pullback metric aligned with molecular decoding. On ZINC250K, the default setting achieves QED Spearman correlation 0.493 with 94.7% uniqueness, while the strongest decoder-coupled condition reaches 0.510. Under protocol-matched four-property conditioning, decoder-coupled drift reaches mean Spearman correlation up to 0.598. Across 15 controlled variants, models that preserve the gradient path through decoder features achieve higher correlations than the tested latent-space, random-feature, and external-feature drift variants, while detached or stop-gradient decoder controls yield near-zero QED correlation and very low uniqueness. These results indicate that decoder-coupled drift is a useful low-cost mechanism for property-biased molecular generation, requiring one generator evaluation and one frozen decoder pass.

Kimi Team, Yifan Bai, Yiping Bao et al. · tsinghua

We introduce Kimi K2, a Mixture-of-Experts (MoE) large language model with 32 billion activated parameters and 1 trillion total parameters. We propose the MuonClip optimizer, which improves upon Muon with a novel QK-clip technique to address training instability while enjoying the advanced token efficiency of Muon. Based on MuonClip, K2 was pre-trained on 15.5 trillion tokens with zero loss spike. During post-training, K2 undergoes a multi-stage post-training process, highlighted by a large-scale agentic data synthesis pipeline and a joint reinforcement learning (RL) stage, where the model improves its capabilities through interactions with real and synthetic environments. Kimi K2 achieves state-of-the-art performance among open-source non-thinking models, with strengths in agentic capabilities. Notably, K2 obtains 66.1 on Tau2-Bench, 76.5 on ACEBench (En), 65.8 on SWE-Bench Verified, and 47.3 on SWE-Bench Multilingual -- surpassing most open and closed-sourced baselines in non-thinking settings. It also exhibits strong capabilities in coding, mathematics, and reasoning tasks, with a score of 53.7 on LiveCodeBench v6, 49.5 on AIME 2025, 75.1 on GPQA-Diamond, and 27.1 on OJBench, all without extended thinking. These results position Kimi K2 as one of the most capable open-source large language models to date, particularly in software engineering and agentic tasks. We release our base and post-trained model checkpoints to facilitate future research and applications of agentic intelligence.

Wentao Li, Danpei Zhao, Bo Yuan et al.

Fine-grained object detection (FGOD) extends object detection with the capability of fine-grained recognition. In recent two-stage FGOD methods, the region proposal serves as a crucial link between detection and fine-grained recognition. However, current methods overlook that some proposal-related procedures inherited from general detection are not equally suitable for FGOD, limiting the multi-task learning from generation, representation, to utilization. In this paper, we present PETDet (Proposal Enhancement for Two-stage fine-grained object detection) to better handle the sub-tasks in two-stage FGOD methods. Firstly, an anchor-free Quality Oriented Proposal Network (QOPN) is proposed with dynamic label assignment and attention-based decomposition to generate high-quality oriented proposals. Additionally, we present a Bilinear Channel Fusion Network (BCFN) to extract independent and discriminative features of the proposals. Furthermore, we design a novel Adaptive Recognition Loss (ARL) which offers guidance for the R-CNN head to focus on high-quality proposals. Extensive experiments validate the effectiveness of PETDet. Quantitative analysis reveals that PETDet with ResNet50 reaches state-of-the-art performance on various FGOD datasets, including FAIR1M-v1.0 (42.96 AP), FAIR1M-v2.0 (48.81 AP), MAR20 (85.91 AP) and ShipRSImageNet (74.90 AP). The proposed method also achieves superior compatibility between accuracy and inference speed. Our code and models will be released at https://github.com/canoe-Z/PETDet.

Bo Yuan, Danpei Zhao, Wentao Li et al.

Continual learning (CL) is a great endeavour in developing intelligent perception AI systems. However, the pioneer research has predominantly focus on single-task CL, which restricts the potential in multi-task and multimodal scenarios. Beyond the well-known issue of catastrophic forgetting, the multi-task CL also brings semantic obfuscation across multimodal alignment, leading to severe model degradation during incremental training steps. In this paper, we extend CL to continual panoptic perception (CPP), integrating multimodal and multi-task CL to enhance comprehensive image perception through pixel-level, instance-level, and image-level joint interpretation. We formalize the CL task in multimodal scenarios and propose an end-to-end continual panoptic perception model. Concretely, CPP model features a collaborative cross-modal encoder (CCE) for multimodal embedding. We also propose a malleable knowledge inheritance module via contrastive feature distillation and instance distillation, addressing catastrophic forgetting from task-interactive boosting manner. Furthermore, we propose a cross-modal consistency constraint and develop CPP+, ensuring multimodal semantic alignment for model updating under multi-task incremental scenarios. Additionally, our proposed model incorporates an asymmetric pseudo-labeling manner, enabling model evolving without exemplar replay. Extensive experiments on multimodal datasets and diverse CL tasks demonstrate the superiority of the proposed model, particularly in fine-grained CL tasks.

Lei Zhou, Min Gao, Zongwei Wang et al.

The widespread open-sourcing of advanced recommendation algorithms and the rising threat of model extraction attacks have made safeguarding the intellectual property of recommender systems an imperative task. While watermarking serves as a potent defense, existing methods primarily rely on forcing models to memorize pre-defined interaction patterns. Such memorization-based approaches often require excessive synthetic data injection and are vulnerable to removal attacks due to their detectable statistical deviations from natural user behavior. To address these limitations, we propose GREW, a novel Green-REd Watermarking framework for recommender systems. GREW leverages a secret key to partition the item space into "green" items for soft promotion and "red" items as anchors, thereby shifting the paradigm from fragile memorization to a stealthy, key-controlled output bias. By integrating watermark signals directly into the intrinsic ranking process, GREW employs three recommendation-tailored modules: (1) Semantic-Consistent Hashing, which utilizes the secret key to cluster green items for performance-aware stealthiness; (2) Decision-Aligned Masking, which confines signal injection to the competitive item subset to preserve ranking logic; and (3) Confidence-Aware Scaling, which dynamically modulates injection intensity based on model uncertainty. Ownership verification is performed via statistical hypothesis testing on aggregated black-box outputs, enabled by the keyed re-partitioning of the item space. Experiments on multiple base models demonstrate that GREW achieves strong ownership verification and robustness against extraction attacks compared to existing baselines while requiring no data injection. Our code is available at https://github.com/Loche2/GREW.

Amgad Muneer, Muhammad Waqas, Maliazurina B Saad et al.

Cancer research is increasingly driven by the integration of diverse data modalities, spanning from genomics and proteomics to imaging and clinical factors. However, extracting actionable insights from these vast and heterogeneous datasets remains a key challenge. The rise of foundation models (FMs) -- large deep-learning models pretrained on extensive amounts of data serving as a backbone for a wide range of downstream tasks -- offers new avenues for discovering biomarkers, improving diagnosis, and personalizing treatment. This paper presents a comprehensive review of widely adopted integration strategies of multimodal data to assist advance the computational approaches for data-driven discoveries in oncology. We examine emerging trends in machine learning (ML) and deep learning (DL), including methodological frameworks, validation protocols, and open-source resources targeting cancer subtype classification, biomarker discovery, treatment guidance, and outcome prediction. This study also comprehensively covers the shift from traditional ML to FMs for multimodal integration. We present a holistic view of recent FMs advancements and challenges faced during the integration of multi-omics with advanced imaging data. We identify the state-of-the-art FMs, publicly available multi-modal repositories, and advanced tools and methods for data integration. We argue that current state-of-the-art integrative methods provide the essential groundwork for developing the next generation of large-scale, pre-trained models poised to further revolutionize oncology. To the best of our knowledge, this is the first review to systematically map the transition from conventional ML to advanced FM for multimodal data integration in oncology, while also framing these developments as foundational for the forthcoming era of large-scale AI models in cancer research.

Jiawei Cheng, Min Gao, Zongwei Wang et al.

Shared-account usage is common on streaming and e-commerce platforms, where multiple users share one account. Existing shared-account sequential recommendation (SSR) methods often assume a fixed number of latent users per account, limiting their ability to adapt to diverse sharing patterns and reducing recommendation accuracy. Recent latent reasoning technique applied in sequential recommendation (SR) generate intermediate embeddings from the user embedding (e.g, last item embedding) to uncover users' potential interests, which inspires us to treat the problem of inferring the number of latent users as generating a series of intermediate embeddings, shifting from inferring preferences behind user to inferring the users behind account. However, the last item cannot be directly used for reasoning in SSR, as it can only represent the behavior of the most recent latent user, rather than the collective behavior of the entire account. To address this, we propose DisenReason, a two-stage reasoning method tailored to SSR. DisenReason combines behavior disentanglement stage from frequency-domain perspective to create a collective and unified account behavior representation, which serves as a pivot for latent user reasoning stage to infer the number of users behind the account. Experiments on four benchmark datasets show that DisenReason consistently outperforms all state-of-the-art baselines across four benchmark datasets, achieving relative improvements of up to 12.56\% in MRR@5 and 6.06\% in Recall@20.

Wentao Li, Congcong Wang, Xiaoxiao Cui et al.

Open Source Intelligence (OSINT) requires the integration and reasoning of diverse multimodal data, presenting significant challenges in deriving actionable insights. Traditional approaches, including multimodal large language models (MLLMs), often struggle to infer complex contextual relationships or deliver comprehensive intelligence from unstructured data sources. In this paper, we introduce COSINT-Agent, a knowledge-driven multimodal agent tailored to address the challenges of OSINT in the Chinese domain. COSINT-Agent seamlessly integrates the perceptual capabilities of fine-tuned MLLMs with the structured reasoning power of the Entity-Event-Scene Knowledge Graph (EES-KG). Central to COSINT-Agent is the innovative EES-Match framework, which bridges COSINT-MLLM and EES-KG, enabling systematic extraction, reasoning, and contextualization of multimodal insights. This integration facilitates precise entity recognition, event interpretation, and context retrieval, effectively transforming raw multimodal data into actionable intelligence. Extensive experiments validate the superior performance of COSINT-Agent across core OSINT tasks, including entity recognition, EES generation, and context matching. These results underscore its potential as a robust and scalable solution for advancing automated multimodal reasoning and enhancing the effectiveness of OSINT methodologies.

Yaotian Yang, Yiwen Tang, Yizhe Chen et al.

Machine learning-based interatomic potentials and force fields depend critically on accurate atomic structures, yet such data are scarce due to the limited availability of experimentally resolved crystals. Although atomic-resolution electron microscopy offers a potential source of structural data, converting these images into simulation-ready formats remains labor-intensive and error-prone, creating a bottleneck for model training and validation. We introduce AutoMat, an end-to-end, agent-assisted pipeline that automatically transforms scanning transmission electron microscopy (STEM) images into atomic crystal structures and predicts their physical properties. AutoMat combines pattern-adaptive denoising, physics-guided template retrieval, symmetry-aware atomic reconstruction, fast relaxation and property prediction via MatterSim, and coordinated orchestration across all stages. We propose the first dedicated STEM2Mat-Bench for this task and evaluate performance using lattice RMSD, formation energy MAE, and structure-matching success rate. By orchestrating external tool calls, AutoMat enables a text-only LLM to outperform vision-language models in this domain, achieving closed-loop reasoning throughout the pipeline. In large-scale experiments over 450 structure samples, AutoMat substantially outperforms existing multimodal large language models and tools. These results validate both AutoMat and STEM2Mat-Bench, marking a key step toward bridging microscopy and atomistic simulation in materials science.The code and dataset are publicly available at https://github.com/yyt-2378/AutoMat and https://huggingface.co/datasets/yaotianvector/STEM2Mat.

Jiangjie Qiu, Hou Hei Lam, Xiuyuan Hu et al. · tsinghua

Organic photovoltaic (OPV) materials offer a promising avenue toward cost-effective solar energy utilization. However, optimizing donor-acceptor (D-A) combinations to achieve high power conversion efficiency (PCE) remains a significant challenge. In this work, we propose a framework that integrates large-scale pretraining of graph neural networks (GNNs) with a GPT-2 (Generative Pretrained Transformer 2)-based reinforcement learning (RL) strategy to design OPV molecules with potentially high PCE. This approach produces candidate molecules with predicted efficiencies approaching 21\%, although further experimental validation is required. Moreover, we conducted a preliminary fragment-level analysis to identify structural motifs recognized by the RL model that may contribute to enhanced PCE, thus providing design guidelines for the broader research community. To facilitate continued discovery, we are building the largest open-source OPV dataset to date, expected to include nearly 3,000 donor-acceptor pairs. Finally, we discuss plans to collaborate with experimental teams on synthesizing and characterizing AI-designed molecules, which will provide new data to refine and improve our predictive and generative models.

Jiawei Liu, Huijie Fan, Qiang Wang et al.

Accurate labeling is essential for supervised deep learning methods. However, it is almost impossible to accurately and manually annotate thousands of images, which results in many labeling errors for most datasets. We proposes a local label point correction (LLPC) method to improve annotation quality for edge detection and image segmentation tasks. Our algorithm contains three steps: gradient-guided point correction, point interpolation and local point smoothing. We correct the labels of object contours by moving the annotated points to the pixel gradient peaks. This can improve the edge localization accuracy, but it also causes unsmooth contours due to the interference of image noise. Therefore, we design a point smoothing method based on local linear fitting to smooth the corrected edge. To verify the effectiveness of our LLPC, we construct a largest overlapping cervical cell edge detection dataset (CCEDD) with higher precision label corrected by our label correction method. Our LLPC only needs to set three parameters, but yields 30-40$\%$ average precision improvement on multiple networks. The qualitative and quantitative experimental results show that our LLPC can improve the quality of manual labels and the accuracy of overlapping cell edge detection. We hope that our study will give a strong boost to the development of the label correction for edge detection and image segmentation. We will release the dataset and code at https://github.com/nachifur/LLPC.

Jiangjie Qiu, Wentao Li, Honghao Chen et al.

Identifying low-energy adsorption geometries on catalytic surfaces is a practical bottleneck for computational heterogeneous catalysis: the difficulty lies not only in the cost of density functional theory (DFT) but in proposing initial placements that relax into the correct energy basins. Conditional denoising diffusion has improved success rates, yet requires $\sim$100 iterative steps per sample. Here we introduce AdsorbFlow, a deterministic generative model that learns an energy-conditioned vector field on the rigid-body configuration space of adsorbate translation and rotation via conditional flow matching. Energy information enters through classifier-free guidance conditioning -- not energy-gradient guidance -- and sampling reduces to integrating an ODE in as few as 5 steps. On OC20-Dense with full DFT single-point verification, AdsorbFlow with an EquiformerV2 backbone achieves 61.4% SR@10 and 34.1% SR@1 -- surpassing AdsorbDiff (31.8% SR@1, 41.0% SR@10) at every evaluation level and AdsorbML (47.7% SR@10) -- while using 20 times fewer generative steps and achieving the lowest anomaly rate among generative methods (6.8%). On 50 out-of-distribution systems, AdsorbFlow retains 58.0% SR@10 with a MLFF-to-DFT gap of only 4~percentage points. These results establish that deterministic transport is both faster and more accurate than stochastic denoising for adsorbate placement.

Danpei Zhao, Bo Yuan, Ziqiang Chen et al.

Current remote-sensing interpretation models often focus on a single task such as detection, segmentation, or caption. However, the task-specific designed models are unattainable to achieve the comprehensive multi-level interpretation of images. The field also lacks support for multi-task joint interpretation datasets. In this paper, we propose Panoptic Perception, a novel task and a new fine-grained dataset (FineGrip) to achieve a more thorough and universal interpretation for RSIs. The new task, 1) integrates pixel-level, instance-level, and image-level information for universal image perception, 2) captures image information from coarse to fine granularity, achieving deeper scene understanding and description, and 3) enables various independent tasks to complement and enhance each other through multi-task learning. By emphasizing multi-task interactions and the consistency of perception results, this task enables the simultaneous processing of fine-grained foreground instance segmentation, background semantic segmentation, and global fine-grained image captioning. Concretely, the FineGrip dataset includes 2,649 remote sensing images, 12,054 fine-grained instance segmentation masks belonging to 20 foreground things categories, 7,599 background semantic masks for 5 stuff classes and 13,245 captioning sentences. Furthermore, we propose a joint optimization-based panoptic perception model. Experimental results on FineGrip demonstrate the feasibility of the panoptic perception task and the beneficial effect of multi-task joint optimization on individual tasks. The dataset will be publicly available.

Mingyu Yang, Wentao Li, Wei Wang

Hybrid queries combining high-dimensional vector similarity search with spatio-temporal filters are increasingly critical for modern retrieval-augmented generation (RAG) systems. Existing systems typically handle these workloads by nesting vector indices within low-dimensional spatial structures, such as R-trees. However, this decoupled architecture fragments the vector space, forcing the query engine to invoke multiple disjoint sub-indices per query. This fragmentation destroys graph routing connectivity, incurs severe traversal overhead, and struggles to optimize for complex spatial boundaries. In this paper, we propose CubeGraph, a novel indexing framework designed to natively integrate vector search with arbitrary spatial constraints. CubeGraph partitions the spatial domain using a hierarchical grid, maintaining modular vector graphs within each cell. During query execution, CubeGraph dynamically stitches together adjacent cube-level indices on the fly whenever their spatial cells intersect with the query filter. This dynamic graph integration restores global connectivity, enabling a unified, single-pass nearest-neighbor traversal that eliminates the overhead of fragmented sub-index invocations. Extensive evaluations on real-world datasets demonstrate that CubeGraph significantly outperforms state-of-the-art baselines, offering superior query execution performance, scalability, and flexibility for complex hybrid workloads.

Junwei Yin, Min Gao, Kai Shu et al.

The rapid proliferation of fake news on social media threatens social stability, creating an urgent demand for more effective detection methods. While many promising approaches have emerged, most rely on content analysis with limited semantic depth, leading to suboptimal comprehension of news content.To address this limitation, capturing broader-range semantics is essential yet challenging, as it introduces two primary types of noise: fully connecting sentences in news graphs often adds unnecessary structural noise, while highly similar but authenticity-irrelevant sentences introduce feature noise, complicating the detection process. To tackle these issues, we propose BREAK, a broad-range semantics model for fake news detection that leverages a fully connected graph to capture comprehensive semantics while employing dual denoising modules to minimize both structural and feature noise. The semantic structure denoising module balances the graph's connectivity by iteratively refining it between two bounds: a sequence-based structure as a lower bound and a fully connected graph as the upper bound. This refinement uncovers label-relevant semantic interrelations structures. Meanwhile, the semantic feature denoising module reduces noise from similar semantics by diversifying representations, aligning distinct outputs from the denoised graph and sequence encoders using KL-divergence to achieve feature diversification in high-dimensional space. The two modules are jointly optimized in a bi-level framework, enhancing the integration of denoised semantics into a comprehensive representation for detection. Extensive experiments across four datasets demonstrate that BREAK significantly outperforms existing fake news detection methods.

Zuqi Huang, Mengxin Tian, Huan Liu et al.

Accurate cell counting in immunohistochemistry (IHC) images is critical for quantifying protein expression and aiding cancer diagnosis. However, the task remains challenging due to the chromogen overlap, variable biomarker staining, and diverse cellular morphologies. Regression-based counting methods offer advantages over detection-based ones in handling overlapped cells, yet rarely support end-to-end multi-class counting. Moreover, the potential of foundation models remains largely underexplored in this paradigm. To address these limitations, we propose a rank-aware agglomeration framework that selectively distills knowledge from multiple strong foundation models, leveraging their complementary representations to handle IHC heterogeneity and obtain a compact yet effective student model, CountIHC. Unlike prior task-agnostic agglomeration strategies that either treat all teachers equally or rely on feature similarity, we design a Rank-Aware Teacher Selecting (RATS) strategy that models global-to-local patch rankings to assess each teacher's inherent counting capacity and enable sample-wise teacher selection. For multi-class cell counting, we introduce a fine-tuning stage that reformulates the task as vision-language alignment. Discrete semantic anchors derived from structured text prompts encode both category and quantity information, guiding the regression of class-specific density maps and improving counting for overlapping cells. Extensive experiments demonstrate that CountIHC surpasses state-of-the-art methods across 12 IHC biomarkers and 5 tissue types, while exhibiting high agreement with pathologists' assessments. Its effectiveness on H&E-stained data further confirms the scalability of the proposed method.

Hou Hei Lam, Jiangjie Qiu, Xiuyuan Hu et al.

Organic photovoltaic (OPV) materials offer a promising path toward sustainable energy generation, but their development is limited by the difficulty of identifying high performance donor and acceptor pairs with strong power conversion efficiencies (PCEs). Existing design strategies typically focus on either the donor or the acceptor alone, rather than using a unified approach capable of modeling both components. In this work, we introduce a dual machine learning framework for OPV discovery that combines predictive modeling with generative molecular design. We present the Organic Photovoltaic Donor Acceptor Dataset (OPV2D), the largest curated dataset of its kind, containing 2000 experimentally characterized donor acceptor pairs. Using this dataset, we develop the Organic Photovoltaic Classifier (OPVC) to predict whether a material exhibits OPV behavior, and a hierarchical graph neural network that incorporates multi task learning and donor acceptor interaction modeling. This framework includes the Molecular Orbital Energy Estimator (MOE2) for predicting HOMO and LUMO energy levels, and the Photovoltaic Performance Predictor (P3) for estimating PCE. In addition, we introduce the Material Generative Pretrained Transformer (MatGPT) to produce synthetically accessible organic semiconductors, guided by a reinforcement learning strategy with three objective policy optimization. By linking molecular representation learning with performance prediction, our framework advances data driven discovery of high performance OPV materials.

Muhammad Waqas, Rukhmini Bandyopadhyay, Eman Showkatian et al.

Foundation models have recently emerged as powerful feature extractors in computational pathology, yet they typically omit mechanisms for leveraging the global spatial structure of tissues and the local contextual relationships among diagnostically relevant regions - key elements for understanding the tumor microenvironment. Multiple instance learning (MIL) remains an essential next step following foundation model, designing a framework to aggregate patch-level features into slide-level predictions. We present EAGLE-Net, a structure-preserving, attention-guided MIL architecture designed to augment prediction and interpretability. EAGLE-Net integrates multi-scale absolute spatial encoding to capture global tissue architecture, a top-K neighborhood-aware loss to focus attention on local microenvironments, and background suppression loss to minimize false positives. We benchmarked EAGLE-Net on large pan-cancer datasets, including three cancer types for classification (10,260 slides) and seven cancer types for survival prediction (4,172 slides), using three distinct histology foundation backbones (REMEDIES, Uni-V1, Uni2-h). Across tasks, EAGLE-Net achieved up to 3% higher classification accuracy and the top concordance indices in 6 of 7 cancer types, producing smooth, biologically coherent attention maps that aligned with expert annotations and highlighted invasive fronts, necrosis, and immune infiltration. These results position EAGLE-Net as a generalizable, interpretable framework that complements foundation models, enabling improved biomarker discovery, prognostic modeling, and clinical decision support

Xiaoxiao Cui, Yiran Li, Kai He et al.

Multi-label classification (MLC) of medical images aims to identify multiple diseases and holds significant clinical potential. A critical step is to learn class-specific features for accurate diagnosis and improved interpretability effectively. However, current works focus primarily on causal attention to learn class-specific features, yet they struggle to interpret the true cause due to the inadvertent attention to class-irrelevant features. To address this challenge, we propose a new structural causal model (SCM) that treats class-specific attention as a mixture of causal, spurious, and noisy factors, and a novel Information Bottleneck-based Causal Attention (IBCA) that is capable of learning the discriminative class-specific attention for MLC of medical images. Specifically, we propose learning Gaussian mixture multi-label spatial attention to filter out class-irrelevant information and capture each class-specific attention pattern. Then a contrastive enhancement-based causal intervention is proposed to gradually mitigate the spurious attention and reduce noise information by aligning multi-head attention with the Gaussian mixture multi-label spatial. Quantitative and ablation results on Endo and MuReD show that IBCA outperforms all methods. Compared to the second-best results for each metric, IBCA achieves improvements of 6.35\% in CR, 7.72\% in OR, and 5.02\% in mAP for MuReD, 1.47\% in CR, and 1.65\% in CF1, and 1.42\% in mAP for Endo.

Wentao Li, Yonghu He, Kun Gao et al.

Noninvasive arterial blood pressure (ABP) monitoring is essential for patient management in critical care and perioperative settings, providing continuous assessment of cardiovascular hemodynamics with minimal risks. Numerous deep learning models have developed to reconstruct ABP waveform from noninvasively acquired physiological signals such as electrocardiogram and photoplethysmogram. However, limited research has addressed the issue of model performance and computational load for deployment on embedded systems. The study introduces a lightweight sInvResUNet, along with a collaborative learning scheme named KDCL_sInvResUNet. With only 0.89 million parameters and a computational load of 0.02 GFLOPS, real-time ABP estimation was successfully achieved on embedded devices with an inference time of just 8.49 milliseconds for a 10-second output. We performed subject-independent validation in a large-scale and heterogeneous perioperative dataset containing 1,257,141 data segments from 2,154 patients, with a wide BP range (41-257 mmHg for SBP, and 31-234 mmHg for DBP). The proposed KDCL_sInvResUNet achieved lightly better performance compared to large models, with a mean absolute error of 10.06 mmHg and mean Pearson correlation of 0.88 in tracking ABP changes. Despite these promising results, all deep learning models showed significant performance variations across different demographic and cardiovascular conditions, highlighting their limited ability to generalize across such a broad and diverse population. This study lays a foundation work for real-time, unobtrusive ABP monitoring in real-world perioperative settings, providing baseline for future advancements in this area.

Gongwei Chen, Xurui Zhou, Rui Shao et al.

The research focus of GUI agents is shifting from text-dependent to pure-vision-based approaches, which, though promising, prioritize comprehensive pre-training data collection while neglecting contextual modeling challenges. We probe the characteristics of element and history contextual modeling in GUI agent and summarize: 1) the high-density and loose-relation of element context highlight the existence of many unrelated elements and their negative influence; 2) the high redundancy of history context reveals the inefficient history modeling in current GUI agents. In this work, we propose a context-aware simplification framework for building an efficient and effective GUI Agent, termed SimpAgent. To mitigate potential interference from numerous unrelated elements, we introduce a masking-based element pruning method that circumvents the intractable relation modeling through an efficient masking mechanism. To reduce the redundancy in historical information, we devise a consistency-guided history compression module, which enhances implicit LLM-based compression through innovative explicit guidance, achieving an optimal balance between performance and efficiency. With the above components, SimpAgent reduces 27% FLOPs and achieves superior GUI navigation performances. Comprehensive navigation experiments across diverse web and mobile environments demonstrate the effectiveness and potential of our agent.

Ruixuan Chen, Wentao Li, Jiahui Xiao et al.

Machine learning models often degrade when deployed on data distributions different from their training data. Challenging conventional validation paradigms, we demonstrate that higher in-distribution (ID) bias can lead to better out-of-distribution (OOD) generalization. Our Adaptive Distribution Bridge (ADB) framework implements this insight by introducing controlled statistical diversity during training, enabling models to develop bias profiles that effectively generalize across distributions. Empirically, we observe a robust negative correlation where higher ID bias corresponds to lower OOD error--a finding that contradicts standard practices focused on minimizing validation error. Evaluation on multiple datasets shows our approach significantly improves OOD generalization. ADB achieves robust mean error reductions of up to 26.8% compared to traditional cross-validation, and consistently identifies high-performing training strategies, evidenced by percentile ranks often exceeding 74.4%. Our work provides both a practical method for improving generalization and a theoretical framework for reconsidering the role of bias in robust machine learning.

Wentao Li, Yizhe Chen, Jiangjie Qiu et al.

Data scarcity and the high cost of annotation have long been persistent challenges in the field of materials science. Inspired by its potential in other fields like computer vision, we propose the MatWheel framework, which train the material property prediction model using the synthetic data generated by the conditional generative model. We explore two scenarios: fully-supervised and semi-supervised learning. Using CGCNN for property prediction and Con-CDVAE as the conditional generative model, experiments on two data-scarce material property datasets from Matminer database are conducted. Results show that synthetic data has potential in extreme data-scarce scenarios, achieving performance close to or exceeding that of real samples in all two tasks. We also find that pseudo-labels have little impact on generated data quality. Future work will integrate advanced models and optimize generation conditions to boost the effectiveness of the materials data flywheel.

Junde Liu, Danpei Zhao, Bo Yuan et al.

Significant advancements have been made in semantic image synthesis in remote sensing. However, existing methods still face formidable challenges in balancing semantic controllability and diversity. In this paper, we present a Hybrid Semantic Embedding Guided Generative Adversarial Network (HySEGGAN) for controllable and efficient remote sensing image synthesis. Specifically, HySEGGAN leverages hierarchical information from a single source. Motivated by feature description, we propose a hybrid semantic Embedding method, that coordinates fine-grained local semantic layouts to characterize the geometric structure of remote sensing objects without extra information. Besides, a Semantic Refinement Network (SRN) is introduced, incorporating a novel loss function to ensure fine-grained semantic feedback. The proposed approach mitigates semantic confusion and prevents geometric pattern collapse. Experimental results indicate that the method strikes an excellent balance between semantic controllability and diversity. Furthermore, HySEGGAN significantly improves the quality of synthesized images and achieves state-of-the-art performance as a data augmentation technique across multiple datasets for downstream tasks.

Jiongzhi Zheng, Yawei Hong, Wenchang Xu et al.

The multiple Traveling Salesmen Problem (mTSP) is a general extension of the famous NP-hard Traveling Salesmen Problem (TSP), that there are m (m > 1) salesmen to visit the cities. In this paper, we address the mTSP with both the minsum objective and minmax objective, which aims at minimizing the total length of the $m$ tours and the length of the longest tour among all the m tours, respectively. We propose an iterated two-stage heuristic algorithm called ITSHA for the mTSP. Each iteration of ITSHA consists of an initialization stage and an improvement stage. The initialization stage aims to generate high-quality and diverse initial solutions. The improvement stage mainly applies the variable neighborhood search (VNS) approach based on our proposed effective local search neighborhoods to optimize the initial solution. Moreover, some local optima escaping approaches are employed to enhance the search ability of the algorithm. Extensive experimental results on a wide range of public benchmark instances show that ITSHA significantly outperforms the state-of-the-art heuristic algorithms in solving the mTSP on both the objectives.

Wentao Li, Jiayi Tong, Md. Monowar Anjum et al.

Objectives: This paper develops two algorithms to achieve federated generalized linear mixed effect models (GLMM), and compares the developed model's outcomes with each other, as well as that from the standard R package (`lme4'). Methods: The log-likelihood function of GLMM is approximated by two numerical methods (Laplace approximation and Gaussian Hermite approximation), which supports federated decomposition of GLMM to bring computation to data. Results: Our developed method can handle GLMM to accommodate hierarchical data with multiple non-independent levels of observations in a federated setting. The experiment results demonstrate comparable (Laplace) and superior (Gaussian-Hermite) performances with simulated and real-world data. Conclusion: We developed and compared federated GLMMs with different approximations, which can support researchers in analyzing biomedical data to accommodate mixed effects and address non-independence due to hierarchical structures (i.e., institutes, region, country, etc.).

Dongming Wei, Sahar Ahmad, Jiayu Huo et al.

Thermal ablation is a minimally invasive procedure for treat-ing small or unresectable tumors. Although CT is widely used for guiding ablation procedures, the contrast of tumors against surrounding normal tissues in CT images is often poor, aggravating the difficulty in accurate thermal ablation. In this paper, we propose a fast MR-CT image registration method to overlay a pre-procedural MR (pMR) image onto an intra-procedural CT (iCT) image for guiding the thermal ablation of liver tumors. By first using a Cycle-GAN model with mutual information constraint to generate synthesized CT (sCT) image from the cor-responding pMR, pre-procedural MR-CT image registration is carried out through traditional mono-modality CT-CT image registration. At the intra-procedural stage, a partial-convolution-based network is first used to inpaint the probe and its artifacts in the iCT image. Then, an unsupervised registration network is used to efficiently align the pre-procedural CT (pCT) with the inpainted iCT (inpCT) image. The final transformation from pMR to iCT is obtained by combining the two estimated transformations,i.e., (1) from the pMR image space to the pCT image space (through sCT) and (2) from the pCT image space to the iCT image space (through inpCT). Experimental results confirm that the proposed method achieves high registration accuracy with a very fast computational speed.