Jinzhuo Wang

Yuxing Lu, Yushuhong Lin, Wenqi Shi et al.

Clinical practice is not the selection of an answer from enumerated options: a physician gathers heterogeneous information incrementally and commits to sequential, irreversible decisions under uncertainty. Static benchmarks cannot probe and existing interactive medical benchmarks each compromise on at least one of them. We present ClinEnv, an interactive benchmark that evaluates LLMs as attending physicians over real inpatient admissions under a paradigm we term Longitudinal Inpatient Simulation. Each case is automatically constructed into an ordered sequence of decision stages; at every stage the model must actively query four specialized agents before committing to medications, procedures, and diagnoses. ClinEnv scores both what the model decides, through deterministic ontology-grounded matching, and how it gathers information. Across seven models, the strongest reaches only 0.31 decision F1, and outcome quality is sharply decoupled from process quality. Difficulty concentrates in management decisions and later stages, where models recover discharge diagnoses far more reliably than management actions (0.51 vs. 0.17 F1) and continue to issue redundant queries as cases progress. ClinEnv makes this information-acquisition gap, invisible to outcome-only evaluation, directly measurable.

Zizhen Deng, Jiaru Zhang, Rui Ding et al.

Supervised Causal Learning (SCL) has shown promise in causal discovery by framing it as a supervised learning problem. However, it suffers from significant out-of-distribution generalization challenges. We reveal three limitations of previous SCL practices: a significant performance gap between synthetic benchmarks and real-world data, fragility to distribution shifts, and failure in compositional generalization, collectively questioning its real-world applicability. To address this, we propose Test-Time Training for Supervised Causal Learning (TTT-SCL), a novel framework that dynamically generates training sets explicitly aligned with any specific test instance. We demonstrate the correlation between TTT-SCL and score-based methods, and design an efficient module for generating training sets based on the classic scoring function. Experiments on synthetic benchmarks, pseudo-real and real-world datasets demonstrate that TTT-SCL significantly outperforms existing SCL and traditional causal discovery methods.

Haoming Yan, Xinyu Chen, Yanran Wang et al.

The discovery of effective molecular modulators is essential for advancing perovskite solar cells (PSCs), but the research process is hindered by the vastness of chemical space and the time-consuming and expensive trial-and-error experimental screening. Concurrently, machine learning (ML) offers significant potential for accelerating materials discovery. However, applying ML to PSCs remains a major challenge due to data scarcity and limitations of traditional quantitative structure-property relationship (QSPR) models. Here, we apply a chemical informed transfer learning framework based on pre-trained deep neural networks, which achieves high accuracy in predicting the molecular modulator's effect on the power conversion efficiency (PCE) of PSCs. This framework is established through systematical benchmarking of diverse molecular representations, enabling lowcost and high-throughput virtual screening over 79,043 commercially available molecules. Furthermore, we leverage interpretability techniques to visualize the learned chemical representation and experimentally characterize the resulting modulator-perovskite interactions. The top molecular modulators identified by the framework are subsequently validated experimentally, delivering a remarkably improved champion PCE of 26.91% in PSCs.

Zhengrui Guo, Conghao Xiong, Jiabo Ma et al.

Few-shot learning presents a critical solution for cancer diagnosis in computational pathology (CPath), addressing fundamental limitations in data availability, particularly the scarcity of expert annotations and patient privacy constraints. A key challenge in this paradigm stems from the inherent disparity between the limited training set of whole slide images (WSIs) and the enormous number of contained patches, where a significant portion of these patches lacks diagnostically relevant information, potentially diluting the model's ability to learn and focus on critical diagnostic features. While recent works attempt to address this by incorporating additional knowledge, several crucial gaps hinder further progress: (1) despite the emergence of powerful pathology foundation models (FMs), their potential remains largely untapped, with most approaches limiting their use to basic feature extraction; (2) current language guidance mechanisms attempt to align text prompts with vast numbers of WSI patches all at once, struggling to leverage rich pathological semantic information. To this end, we introduce the knowledge-enhanced adaptive visual compression framework, dubbed FOCUS, which uniquely combines pathology FMs with language prior knowledge to enable a focused analysis of diagnostically relevant regions by prioritizing discriminative WSI patches. Our approach implements a progressive three-stage compression strategy: we first leverage FMs for global visual redundancy elimination, and integrate compressed features with language prompts for semantic relevance assessment, then perform neighbor-aware visual token filtering while preserving spatial coherence. Extensive experiments on pathological datasets spanning breast, lung, and ovarian cancers demonstrate its superior performance in few-shot pathology diagnosis. Codes are available at https://github.com/dddavid4real/FOCUS.

Yuxing Lu, Xukai Zhao, Wei Wu et al.

The knowledge base in a retrieval-augmented generation (RAG) system is typically assembled once and never revised, even though the facts a query requires are often fragmented across documents and buried in irrelevant content. We argue that the knowledge base should be treated as a trainable component and propose WriteBack-RAG, a framework that uses labeled examples to identify where retrieval succeeds, isolate the relevant documents, and distill them into compact knowledge units that are indexed alongside the original corpus. Because the method modifies only the corpus, it can be applied once as an offline preprocessing step and combined with any RAG pipeline. Across four RAG methods, six benchmarks, and two LLM backbones, WriteBack-RAG improves every evaluated setting, with gains averaging +2.14%. Cross-method transfer experiments further show that the distilled knowledge benefits RAG pipelines other than the one used to produce it, confirming that the improvement resides in the corpus itself.

Zhengrui Guo, Qichen Sun, Jiabo Ma et al.

Whole slide image (WSI) analysis presents significant computational challenges due to the massive number of patches in gigapixel images. While transformer architectures excel at modeling long-range correlations through self-attention, their quadratic computational complexity makes them impractical for computational pathology applications. Existing solutions like local-global or linear self-attention reduce computational costs but compromise the strong modeling capabilities of full self-attention. In this work, we propose Querent, i.e., the query-aware long contextual dynamic modeling framework, which achieves a theoretically bounded approximation of full self-attention while delivering practical efficiency. Our method adaptively predicts which surrounding regions are most relevant for each patch, enabling focused yet unrestricted attention computation only with potentially important contexts. By using efficient region-wise metadata computation and importance estimation, our approach dramatically reduces computational overhead while preserving global perception to model fine-grained patch correlations. Through comprehensive experiments on biomarker prediction, gene mutation prediction, cancer subtyping, and survival analysis across over 10 WSI datasets, our method demonstrates superior performance compared to the state-of-the-art approaches. Codes are available at https://github.com/dddavid4real/Querent.

Yuxing Lu, Jinzhuo Wang · pku

Maintaining comprehensive and up-to-date knowledge graphs (KGs) is critical for modern AI systems, but manual curation struggles to scale with the rapid growth of scientific literature. This paper presents KARMA, a novel framework employing multi-agent large language models (LLMs) to automate KG enrichment through structured analysis of unstructured text. Our approach employs nine collaborative agents, spanning entity discovery, relation extraction, schema alignment, and conflict resolution that iteratively parse documents, verify extracted knowledge, and integrate it into existing graph structures while adhering to domain-specific schema. Experiments on 1,200 PubMed articles from three different domains demonstrate the effectiveness of KARMA in knowledge graph enrichment, with the identification of up to 38,230 new entities while achieving 83.1\% LLM-verified correctness and reducing conflict edges by 18.6\% through multi-layer assessments.

Yuxing Lu, Sin Yee Goi, Xukai Zhao et al. · pku

Biomedical knowledge graphs (BKGs) have emerged as powerful tools for organizing and leveraging the vast and complex data found across the biomedical field. Yet, current reviews of BKGs often limit their scope to specific domains or methods, overlooking the broader landscape and the rapid technological progress reshaping it. In this survey, we address this gap by offering a systematic review of BKGs from three core perspectives: domains, tasks, and applications. We begin by examining how BKGs are constructed from diverse data sources, including molecular interactions, pharmacological datasets, and clinical records. Next, we discuss the essential tasks enabled by BKGs, focusing on knowledge management, retrieval, reasoning, and interpretation. Finally, we highlight real-world applications in precision medicine, drug discovery, and scientific research, illustrating the translational impact of BKGs across multiple sectors. By synthesizing these perspectives into a unified framework, this survey not only clarifies the current state of BKG research but also establishes a foundation for future exploration, enabling both innovative methodological advances and practical implementations.

Zhijun Zeng, Youjia Zheng, Hao Hu et al.

Accurate and efficient simulation of wave equations is crucial in computational wave imaging applications, such as ultrasound computed tomography (USCT), which reconstructs tissue material properties from observed scattered waves. Traditional numerical solvers for wave equations are computationally intensive and often unstable, limiting their practical applications for quasi-real-time image reconstruction. Neural operators offer an innovative approach by accelerating PDE solving using neural networks; however, their effectiveness in realistic imaging is limited because existing datasets oversimplify real-world complexity. In this paper, we present OpenBreastUS, a large-scale wave equation dataset designed to bridge the gap between theoretical equations and practical imaging applications. OpenBreastUS includes 8,000 anatomically realistic human breast phantoms and over 16 million frequency-domain wave simulations using real USCT configurations. It enables a comprehensive benchmarking of popular neural operators for both forward simulation and inverse imaging tasks, allowing analysis of their performance, scalability, and generalization capabilities. By offering a realistic and extensive dataset, OpenBreastUS not only serves as a platform for developing innovative neural PDE solvers but also facilitates their deployment in real-world medical imaging problems. For the first time, we demonstrate efficient in vivo imaging of the human breast using neural operator solvers.

Wei Wu, Can Liao, Zizhen Deng et al.

The Platonic Representation Hypothesis suggests a universal, modality-independent reality representation behind different data modalities. Inspired by this, we view each neuron as a system and detect its multi-segment activity data under various peripheral conditions. We assume there's a time-invariant representation for the same neuron, reflecting its intrinsic properties like molecular profiles, location, and morphology. The goal of obtaining these intrinsic neuronal representations has two criteria: (I) segments from the same neuron should have more similar representations than those from different neurons; (II) the representations must generalize well to out-of-domain data. To meet these, we propose the NeurPIR (Neuron Platonic Intrinsic Representation) framework. It uses contrastive learning, with segments from the same neuron as positive pairs and those from different neurons as negative pairs. In implementation, we use VICReg, which focuses on positive pairs and separates dissimilar samples via regularization. We tested our method on Izhikevich model-simulated neuronal population dynamics data. The results accurately identified neuron types based on preset hyperparameters. We also applied it to two real-world neuron dynamics datasets with neuron type annotations from spatial transcriptomics and neuron locations. Our model's learned representations accurately predicted neuron types and locations and were robust on out-of-domain data (from unseen animals). This shows the potential of our approach for understanding neuronal systems and future neuroscience research.

Wei Wu, Zizhen Deng, Chi Zhang et al.

Addressing the unavoidable bias inherent in supervised aging clocks, we introduce Sundial, a novel framework that models molecular dynamics through a diffusion field, capturing both the population-level aging process and the individual-level relative aging order. Sundial enables unbiasedestimation of biological age and the forecast of aging roadmap. Fasteraging individuals from Sundial exhibit a higher disease risk compared to those identified from supervised aging clocks. This framework opens new avenues for exploring key topics, including age- and sex-specific aging dynamics and faster yet healthy aging paths.

Yuxing Lu, J. Ben Tamo, Weichen Zhao et al.

Large language models are strong sequence predictors, yet standard inference relies on immutable context histories. After making an error at generation step t, the model lacks an updatable memory mechanism that improves predictions for step t+1. We propose LLM-as-RNN, an inference-only framework that turns a frozen LLM into a recurrent predictor by representing its hidden state as natural-language memory. This state, implemented as a structured system-prompt summary, is updated at each timestep via feedback-driven text rewrites, enabling learning without parameter updates. Under a fixed token budget, LLM-as-RNN corrects errors and retains task-relevant patterns, effectively performing online learning through language. We evaluate the method on three sequential benchmarks in healthcare, meteorology, and finance across Llama, Gemma, and GPT model families. LLM-as-RNN significantly outperforms zero-shot, full-history, and MemPrompt baselines, improving predictive accuracy by 6.5% on average, while producing interpretable, human-readable learning traces absent in standard context accumulation.

Rui Peng, Ziru Liu, Lingyuan Ye et al.

Accurately modeling the relationship between perturbations, transcriptional responses, and phenotypic changes is essential for building an AI Virtual Cell (AIVC). However, existing methods typically constrained to modeling direct associations, such as Perturbation $\rightarrow$ RNA or Perturbation $\rightarrow$ Morphology, overlook the crucial causal link from RNA to morphology. To bridge this gap, we propose TRIDENT, a cascade generative framework that synthesizes realistic cellular morphology by conditioning on both the perturbation and the corresponding gene expression profile. To train and evaluate this task, we construct MorphoGene, a new dataset pairing L1000 gene expression with Cell Painting images for 98 compounds. TRIDENT significantly outperforms state-of-the-art approaches, achieving up to 7-fold improvement with strong generalization to unseen compounds. In a case study on docetaxel, we validate that RNA-guided synthesis accurately produces the corresponding phenotype. An ablation study further confirms that this RNA conditioning is essential for the model's high fidelity. By explicitly modeling transcriptome-phenome mapping, TRIDENT provides a powerful in silico tool and moves us closer to a predictive virtual cell.

Yuxing Lu, Xukai Zhao, J. Ben Tamo et al. · pku

Large Language Models (LLMs) have demonstrated remarkable capabilities on general text; however, their proficiency in specialized scientific domains that require deep, interconnected knowledge remains largely uncharacterized. Metabolomics presents unique challenges with its complex biochemical pathways, heterogeneous identifier systems, and fragmented databases. To systematically evaluate LLM capabilities in this domain, we introduce MetaBench, the first benchmark for metabolomics assessment. Curated from authoritative public resources, MetaBench evaluates five capabilities essential for metabolomics research: knowledge, understanding, grounding, reasoning, and research. Our evaluation of 25 open- and closed-source LLMs reveals distinct performance patterns across metabolomics tasks: while models perform well on text generation tasks, cross-database identifier grounding remains challenging even with retrieval augmentation. Model performance also decreases on long-tail metabolites with sparse annotations. With MetaBench, we provide essential infrastructure for developing and evaluating metabolomics AI systems, enabling systematic progress toward reliable computational tools for metabolomics research.

Yuxing Lu, Gecheng Fu, Wei Wu et al. · pku

Existing medical RAG systems mainly leverage knowledge from medical knowledge bases, neglecting the crucial role of experiential knowledge derived from similar patient cases -- a key component of human clinical reasoning. To bridge this gap, we propose DoctorRAG, a RAG framework that emulates doctor-like reasoning by integrating both explicit clinical knowledge and implicit case-based experience. DoctorRAG enhances retrieval precision by first allocating conceptual tags for queries and knowledge sources, together with a hybrid retrieval mechanism from both relevant knowledge and patient. In addition, a Med-TextGrad module using multi-agent textual gradients is integrated to ensure that the final output adheres to the retrieved knowledge and patient query. Comprehensive experiments on multilingual, multitask datasets demonstrate that DoctorRAG significantly outperforms strong baseline RAG models and gains improvements from iterative refinements. Our approach generates more accurate, relevant, and comprehensive responses, taking a step towards more doctor-like medical reasoning systems.

Qichen Sun, Zhengrui Guo, Rui Peng et al.

Recent advances in computational pathology and artificial intelligence have significantly enhanced the utilization of gigapixel whole-slide images and and additional modalities (e.g., genomics) for pathological diagnosis. Although deep learning has demonstrated strong potential in pathology, several key challenges persist: (1) fusing heterogeneous data types requires sophisticated strategies beyond simple concatenation due to high computational costs; (2) common scenarios of missing modalities necessitate flexible strategies that allow the model to learn robustly in the absence of certain modalities; (3) the downstream tasks in CPath are diverse, ranging from unimodal to multimodal, cnecessitating a unified model capable of handling all modalities. To address these challenges, we propose ALTER, an any-to-any tri-modal pretraining framework that integrates WSIs, genomics, and pathology reports. The term "any" emphasizes ALTER's modality-adaptive design, enabling flexible pretraining with any subset of modalities, and its capacity to learn robust, cross-modal representations beyond WSI-centric approaches. We evaluate ALTER across extensive clinical tasks including survival prediction, cancer subtyping, gene mutation prediction, and report generation, achieving superior or comparable performance to state-of-the-art baselines.

Qichen Sun, Yuxing Lu, Kun Xia et al. · pku

Rapid and efficient assessment of the future impact of research articles is a significant concern for both authors and reviewers. The most common standard for measuring the impact of academic papers is the number of citations. In recent years, numerous efforts have been undertaken to predict citation counts within various citation windows. However, most of these studies focus solely on a specific academic field or require early citation counts for prediction, rendering them impractical for the early-stage evaluation of papers. In this work, we harness Scopus to curate a significantly comprehensive and large-scale dataset of information from 69707 scientific articles sourced from 99 journals spanning multiple disciplines. We propose a deep learning methodology for the impact-based classification tasks, which leverages semantic features extracted from the manuscripts and paper metadata. To summarize the semantic features, such as titles and abstracts, we employ a Transformer-based language model to encode semantic features and design a text fusion layer to capture shared information between titles and abstracts. We specifically focus on the following impact-based prediction tasks using information of scientific manuscripts in pre-publication stage: (1) The impact of journals in which the manuscripts will be published. (2) The future impact of manuscripts themselves. Extensive experiments on our datasets demonstrate the superiority of our proposed model for impact-based prediction tasks. We also demonstrate potentials in generating manuscript's feedback and improvement suggestions.

Ying Huang, Shangfeng Qiu, Wenwei Zhang et al.

Researches using margin based comparison loss demonstrate the effectiveness of penalizing the distance between face feature and their corresponding class centers. Despite their popularity and excellent performance, they do not explicitly encourage the generic embedding learning for an open set recognition problem. In this paper, we analyse margin based softmax loss in probability view. With this perspective, we propose two general principles: 1) monotonic decreasing and 2) margin probability penalty, for designing new margin loss functions. Unlike methods optimized with single comparison metric, we provide a new perspective to treat open set face recognition as a problem of information transmission. And the generalization capability for face embedding is gained with more clean information. An auto-encoder architecture called Linear-Auto-TS-Encoder(LATSE) is proposed to corroborate this finding. Extensive experiments on several benchmarks demonstrate that LATSE help face embedding to gain more generalization capability and it boosted the single model performance with open training dataset to more than $99\%$ on MegaFace test.

Ying Huang, Wenwei Zhang, Jinzhuo Wang

Face anti-spoofing is crucial for the security of face recognition system, by avoiding invaded with presentation attack. Previous works have shown the effectiveness of using depth and temporal supervision for this task. However, depth supervision is often considered only in a single frame, and temporal supervision is explored by utilizing certain signals which is not robust to the change of scenes. In this work, motivated by two stream ConvNets, we propose a novel two stream FreqSaptialTemporalNet for face anti-spoofing which simultaneously takes advantage of frequent, spatial and temporal information. Compared with existing methods which mine spoofing cues in multi-frame RGB image, we make multi-frame spectrum image as one input stream for the discriminative deep neural network, encouraging the primary difference between live and fake video to be automatically unearthed. Extensive experiments show promising improvement results using the proposed architecture. Meanwhile, we proposed a concise method to obtain a large amount of spoofing training data by utilizing a frequent augmentation pipeline, which contributes detail visualization between live and fake images as well as data insufficiency issue when training large networks.

Baoyang Chen, Wenmin Wang, Jinzhuo Wang et al.

In this work, we focus on a challenging task: synthesizing multiple imaginary videos given a single image. Major problems come from high dimensionality of pixel space and the ambiguity of potential motions. To overcome those problems, we propose a new framework that produce imaginary videos by transformation generation. The generated transformations are applied to the original image in a novel volumetric merge network to reconstruct frames in imaginary video. Through sampling different latent variables, our method can output different imaginary video samples. The framework is trained in an adversarial way with unsupervised learning. For evaluation, we propose a new assessment metric $RIQA$. In experiments, we test on 3 datasets varying from synthetic data to natural scene. Our framework achieves promising performance in image quality assessment. The visual inspection indicates that it can successfully generate diverse five-frame videos in acceptable perceptual quality.

Jinzhuo Wang, Wenmin Wang, Ronggang Wang et al.

Monte Carlo tree search (MCTS) is extremely popular in computer Go which determines each action by enormous simulations in a broad and deep search tree. However, human experts select most actions by pattern analysis and careful evaluation rather than brute search of millions of future nteractions. In this paper, we propose a computer Go system that follows experts way of thinking and playing. Our system consists of two parts. The first part is a novel deep alternative neural network (DANN) used to generate candidates of next move. Compared with existing deep convolutional neural network (DCNN), DANN inserts recurrent layer after each convolutional layer and stacks them in an alternative manner. We show such setting can preserve more contexts of local features and its evolutions which are beneficial for move prediction. The second part is a long-term evaluation (LTE) module used to provide a reliable evaluation of candidates rather than a single probability from move predictor. This is consistent with human experts nature of playing since they can foresee tens of steps to give an accurate estimation of candidates. In our system, for each candidate, LTE calculates a cumulative reward after several future interactions when local variations are settled. Combining criteria from the two parts, our system determines the optimal choice of next move. For more comprehensive experiments, we introduce a new professional Go dataset (PGD), consisting of 253233 professional records. Experiments on GoGoD and PGD datasets show the DANN can substantially improve performance of move prediction over pure DCNN. When combining LTE, our system outperforms most relevant approaches and open engines based on MCTS.

Xiongtao Chen, Wenmin Wang, Jinzhuo Wang et al.

This paper considers the challenging task of long-term video interpolation. Unlike most existing methods that only generate few intermediate frames between existing adjacent ones, we attempt to speculate or imagine the procedure of an episode and further generate multiple frames between two non-consecutive frames in videos. In this paper, we present a novel deep architecture called bidirectional predictive network (BiPN) that predicts intermediate frames from two opposite directions. The bidirectional architecture allows the model to learn scene transformation with time as well as generate longer video sequences. Besides, our model can be extended to predict multiple possible procedures by sampling different noise vectors. A joint loss composed of clues in image and feature spaces and adversarial loss is designed to train our model. We demonstrate the advantages of BiPN on two benchmarks Moving 2D Shapes and UCF101 and report competitive results to recent approaches.