Hao Zhou

Zhiyi Fu, Wangchunshu Zhou, Jingjing Xu et al. · cmu

How do masked language models (MLMs) such as BERT learn contextual representations? In this work, we analyze the learning dynamics of MLMs. We find that MLMs adopt sampled embeddings as anchors to estimate and inject contextual semantics to representations, which limits the efficiency and effectiveness of MLMs. To address these issues, we propose TACO, a simple yet effective representation learning approach to directly model global semantics. TACO extracts and aligns contextual semantics hidden in contextualized representations to encourage models to attend global semantics when generating contextualized representations. Experiments on the GLUE benchmark show that TACO achieves up to 5x speedup and up to 1.2 points average improvement over existing MLMs. The code is available at https://github.com/FUZHIYI/TACO.

Liangzhe Yuan, Nitesh Bharadwaj Gundavarapu, Long Zhao et al. · deepmind

We evaluate the video understanding capabilities of existing foundation models (FMs) using a carefully designed experiment protocol consisting of three hallmark tasks (action recognition,temporal localization, and spatiotemporal localization), eight datasets well received by the community, and four adaptation methods tailoring an FM for downstream tasks. Furthermore, we jointly profile FMs' efficacy and efficiency when adapting to general video understanding tasks using cost measurements during both training and inference. Our main findings areas follows. First, task-specialized models significantly outperform the seven FMs studied in this work, in sharp contrast to what FMs have achieved in natural language and image understanding. Second, video-native FMs, whose pretraining data mainly contains the video modality, are generally better than image-native FMs in classifying motion-rich videos, localizing actions in time, and understanding a video of more than one action. Third, the video-native FMs can perform well on video tasks under light adaptations to downstream tasks (e.g., freezing the FM backbones), while image-native FMs win in full end-to-end finetuning. The first two observations reveal the need and tremendous opportunities to conduct research on video-focused FMs, and the last confirms that both tasks and adaptation methods matter when it comes to the evaluation of FMs. Our code is released under: https://github.com/tensorflow/models/tree/master/official/projects/videoglue.

Danqing Wang, Zeyu Wen, Fei Ye et al. · cmu

Antimicrobial peptides (AMPs) are promising therapeutic approaches against drug-resistant pathogens. Recently, deep generative models are used to discover new AMPs. However, previous studies mainly focus on peptide sequence attributes and do not consider crucial structure information. In this paper, we propose a latent sequence-structure model for designing AMPs (LSSAMP). LSSAMP exploits multi-scale vector quantization in the latent space to represent secondary structures (e.g. alpha helix and beta sheet). By sampling in the latent space, LSSAMP can simultaneously generate peptides with ideal sequence attributes and secondary structures. Experimental results show that the peptides generated by LSSAMP have a high probability of antimicrobial activity. Our wet laboratory experiments verified that two of the 21 candidates exhibit strong antimicrobial activity. The code is released at https://github.com/dqwang122/LSSAMP.

Lean Wang, Wenkai Yang, Deli Chen et al. · pku, tsinghua

As large language models (LLMs) generate texts with increasing fluency and realism, there is a growing need to identify the source of texts to prevent the abuse of LLMs. Text watermarking techniques have proven reliable in distinguishing whether a text is generated by LLMs by injecting hidden patterns. However, we argue that existing LLM watermarking methods are encoding-inefficient and cannot flexibly meet the diverse information encoding needs (such as encoding model version, generation time, user id, etc.). In this work, we conduct the first systematic study on the topic of Codable Text Watermarking for LLMs (CTWL) that allows text watermarks to carry multi-bit customizable information. First of all, we study the taxonomy of LLM watermarking technologies and give a mathematical formulation for CTWL. Additionally, we provide a comprehensive evaluation system for CTWL: (1) watermarking success rate, (2) robustness against various corruptions, (3) coding rate of payload information, (4) encoding and decoding efficiency, (5) impacts on the quality of the generated text. To meet the requirements of these non-Pareto-improving metrics, we follow the most prominent vocabulary partition-based watermarking direction, and devise an advanced CTWL method named Balance-Marking. The core idea of our method is to use a proxy language model to split the vocabulary into probability-balanced parts, thereby effectively maintaining the quality of the watermarked text. Our code is available at https://github.com/lancopku/codable-watermarking-for-llm.

Lan Jiang, Hao Zhou, Yankai Lin et al. · tencent-ai

Even though the large-scale language models have achieved excellent performances, they suffer from various adversarial attacks. A large body of defense methods has been proposed. However, they are still limited due to redundant attack search spaces and the inability to defend against various types of attacks. In this work, we present a novel fine-tuning approach called \textbf{RO}bust \textbf{SE}letive fine-tuning (\textbf{ROSE}) to address this issue. ROSE conducts selective updates when adapting pre-trained models to downstream tasks, filtering out invaluable and unrobust updates of parameters. Specifically, we propose two strategies: the first-order and second-order ROSE for selecting target robust parameters. The experimental results show that ROSE achieves significant improvements in adversarial robustness on various downstream NLP tasks, and the ensemble method even surpasses both variants above. Furthermore, ROSE can be easily incorporated into existing fine-tuning methods to improve their adversarial robustness further. The empirical analysis confirms that ROSE eliminates unrobust spurious updates during fine-tuning, leading to solutions corresponding to flatter and wider optima than the conventional method. Code is available at \url{https://github.com/jiangllan/ROSE}.

Chujie Zheng, Hao Zhou, Fandong Meng et al. · tencent-ai, tsinghua

Multiple choice questions (MCQs) serve as a common yet important task format in the evaluation of large language models (LLMs). This work shows that modern LLMs are vulnerable to option position changes in MCQs due to their inherent "selection bias", namely, they prefer to select specific option IDs as answers (like "Option A"). Through extensive empirical analyses with 20 LLMs on three benchmarks, we pinpoint that this behavioral bias primarily stems from LLMs' token bias, where the model a priori assigns more probabilistic mass to specific option ID tokens (e.g., A/B/C/D) when predicting answers from the option IDs. To mitigate selection bias, we propose a label-free, inference-time debiasing method, called PriDe, which separates the model's prior bias for option IDs from the overall prediction distribution. PriDe first estimates the prior by permutating option contents on a small number of test samples, and then applies the estimated prior to debias the remaining samples. We demonstrate that it achieves interpretable and transferable debiasing with high computational efficiency. We hope this work can draw broader research attention to the bias and robustness of modern LLMs.

Xiaohu Huang, Hao Zhou, Jian Wang et al.

In the field of skeleton-based action recognition, current top-performing graph convolutional networks (GCNs) exploit intra-sequence context to construct adaptive graphs for feature aggregation. However, we argue that such context is still \textit{local} since the rich cross-sequence relations have not been explicitly investigated. In this paper, we propose a graph contrastive learning framework for skeleton-based action recognition (\textit{SkeletonGCL}) to explore the \textit{global} context across all sequences. In specific, SkeletonGCL associates graph learning across sequences by enforcing graphs to be class-discriminative, \emph{i.e.,} intra-class compact and inter-class dispersed, which improves the GCN capacity to distinguish various action patterns. Besides, two memory banks are designed to enrich cross-sequence context from two complementary levels, \emph{i.e.,} instance and semantic levels, enabling graph contrastive learning in multiple context scales. Consequently, SkeletonGCL establishes a new training paradigm, and it can be seamlessly incorporated into current GCNs. Without loss of generality, we combine SkeletonGCL with three GCNs (2S-ACGN, CTR-GCN, and InfoGCN), and achieve consistent improvements on NTU60, NTU120, and NW-UCLA benchmarks. The source code will be available at \url{https://github.com/OliverHxh/SkeletonGCL}.

Fei Huang, Tianhua Tao, Hao Zhou et al. · cmu, tsinghua

Non-autoregressive Transformer (NAT) is a family of text generation models, which aims to reduce the decoding latency by predicting the whole sentences in parallel. However, such latency reduction sacrifices the ability to capture left-to-right dependencies, thereby making NAT learning very challenging. In this paper, we present theoretical and empirical analyses to reveal the challenges of NAT learning and propose a unified perspective to understand existing successes. First, we show that simply training NAT by maximizing the likelihood can lead to an approximation of marginal distributions but drops all dependencies between tokens, where the dropped information can be measured by the dataset's conditional total correlation. Second, we formalize many previous objectives in a unified framework and show that their success can be concluded as maximizing the likelihood on a proxy distribution, leading to a reduced information loss. Empirical studies show that our perspective can explain the phenomena in NAT learning and guide the design of new training methods.

Jiangjie Chen, Rui Xu, Ziquan Fu et al. · cmu

The ability to recognize analogies is fundamental to human cognition. Existing benchmarks to test word analogy do not reveal the underneath process of analogical reasoning of neural models. Holding the belief that models capable of reasoning should be right for the right reasons, we propose a first-of-its-kind Explainable Knowledge-intensive Analogical Reasoning benchmark (E-KAR). Our benchmark consists of 1,655 (in Chinese) and 1,251 (in English) problems sourced from the Civil Service Exams, which require intensive background knowledge to solve. More importantly, we design a free-text explanation scheme to explain whether an analogy should be drawn, and manually annotate them for each and every question and candidate answer. Empirical results suggest that this benchmark is very challenging for some state-of-the-art models for both explanation generation and analogical question answering tasks, which invites further research in this area.

Huiyun Yang, Huadong Chen, Hao Zhou et al. · cmu

Based on large-scale pre-trained multilingual representations, recent cross-lingual transfer methods have achieved impressive transfer performances. However, the performance of target languages still lags far behind the source language. In this paper, our analyses indicate such a performance gap is strongly associated with the cross-lingual representation discrepancy. To achieve better cross-lingual transfer performance, we propose the cross-lingual manifold mixup (X-Mixup) method, which adaptively calibrates the representation discrepancy and gives a compromised representation for target languages. Experiments on the XTREME benchmark show X-Mixup achieves 1.8% performance gains on multiple text understanding tasks, compared with strong baselines, and significantly reduces the cross-lingual representation discrepancy.

Yu Bao, Hao Zhou, Shujian Huang et al. · cmu

Recently, parallel text generation has received widespread attention due to its success in generation efficiency. Although many advanced techniques are proposed to improve its generation quality, they still need the help of an autoregressive model for training to overcome the one-to-many multi-modal phenomenon in the dataset, limiting their applications. In this paper, we propose $\textit{latent}$-GLAT, which employs the discrete latent variables to capture word categorical information and invoke an advanced curriculum learning technique, alleviating the multi-modality problem. Experiment results show that our method outperforms strong baselines without the help of an autoregressive model, which further broadens the application scenarios of the parallel decoding paradigm.

Pei Ke, Hao Zhou, Yankai Lin et al. · tencent-ai, tsinghua

Existing reference-free metrics have obvious limitations for evaluating controlled text generation models. Unsupervised metrics can only provide a task-agnostic evaluation result which correlates weakly with human judgments, whereas supervised ones may overfit task-specific data with poor generalization ability to other datasets. In this paper, we propose an unsupervised reference-free metric called CTRLEval, which evaluates controlled text generation from different aspects by formulating each aspect into multiple text infilling tasks. On top of these tasks, the metric assembles the generation probabilities from a pre-trained language model without any model training. Experimental results show that our metric has higher correlations with human judgments than other baselines, while obtaining better generalization of evaluating generated texts from different models and with different qualities.

Weitao Li, Hao Zhou, Xuanyu Lei et al.

Reinforcement learning with verifiable rewards (RLVR) has become central to LLM reasoning, but its outcome-level rewards can make models more willing to give confident answers when evidence or reasoning is unreliable. Existing SFT or RL methods mainly teach LLMs to refuse or express uncertainty at the response level, which can overfit abstention behavior rather than improve reasoning reliability. To address this limitation, we propose Cognitive Pairwise Training (CPT), a cognitive mid-training alignment stage that turns pairwise comparisons over reasoning traces into a reusable alignment signal. By learning to distinguish trustworthy from flawed reasoning, CPT encourages the model to internalize a reasoning-quality discrimination boundary rather than memorize surface refusal patterns. Across five model scales and three model families, CPT improves the reasoning--metacognition trade-off. At 14B, CPT+RL outperforms the standard SFT+RL pipeline by +2.2 math-average points and +5.2 abstention-F1 points. Further analyses show that CPT improves trace quality and exhibits strong robustness and scalability across evaluation and training settings. Code and models are released at https://github.com/Tsinghua-dhy/CPT.

Hao Zhou, Man Lan, Yuanbin Wu et al.

Due to the absence of connectives, implicit discourse relation recognition (IDRR) is still a challenging and crucial task in discourse analysis. Most of the current work adopted multi-task learning to aid IDRR through explicit discourse relation recognition (EDRR) or utilized dependencies between discourse relation labels to constrain model predictions. But these methods still performed poorly on fine-grained IDRR and even utterly misidentified on most of the few-shot discourse relation classes. To address these problems, we propose a novel Prompt-based Connective Prediction (PCP) method for IDRR. Our method instructs large-scale pre-trained models to use knowledge relevant to discourse relation and utilizes the strong correlation between connectives and discourse relation to help the model recognize implicit discourse relations. Experimental results show that our method surpasses the current state-of-the-art model and achieves significant improvements on those fine-grained few-shot discourse relation. Moreover, our approach is able to be transferred to EDRR and obtain acceptable results. Our code is released in https://github.com/zh-i9/PCP-for-IDRR.

Junkun Yuan, Xinyu Zhang, Hao Zhou et al. · tencent-ai

Model pre-training is essential in human-centric perception. In this paper, we first introduce masked image modeling (MIM) as a pre-training approach for this task. Upon revisiting the MIM training strategy, we reveal that human structure priors offer significant potential. Motivated by this insight, we further incorporate an intuitive human structure prior - human parts - into pre-training. Specifically, we employ this prior to guide the mask sampling process. Image patches, corresponding to human part regions, have high priority to be masked out. This encourages the model to concentrate more on body structure information during pre-training, yielding substantial benefits across a range of human-centric perception tasks. To further capture human characteristics, we propose a structure-invariant alignment loss that enforces different masked views, guided by the human part prior, to be closely aligned for the same image. We term the entire method as HAP. HAP simply uses a plain ViT as the encoder yet establishes new state-of-the-art performance on 11 human-centric benchmarks, and on-par result on one dataset. For example, HAP achieves 78.1% mAP on MSMT17 for person re-identification, 86.54% mA on PA-100K for pedestrian attribute recognition, 78.2% AP on MS COCO for 2D pose estimation, and 56.0 PA-MPJPE on 3DPW for 3D pose and shape estimation.

Prince Grover, Julia Xu, Justin Tittelfitz et al. · amazon-science

Standardized datasets and benchmarks have spurred innovations in computer vision, natural language processing, multi-modal and tabular settings. We note that, as compared to other well researched fields, fraud detection has unique challenges: high-class imbalance, diverse feature types, frequently changing fraud patterns, and adversarial nature of the problem. Due to these, the modeling approaches evaluated on datasets from other research fields may not work well for the fraud detection. In this paper, we introduce Fraud Dataset Benchmark (FDB), a compilation of publicly available datasets catered to fraud detection FDB comprises variety of fraud related tasks, ranging from identifying fraudulent card-not-present transactions, detecting bot attacks, classifying malicious URLs, estimating risk of loan default to content moderation. The Python based library for FDB provides a consistent API for data loading with standardized training and testing splits. We demonstrate several applications of FDB that are of broad interest for fraud detection, including feature engineering, comparison of supervised learning algorithms, label noise removal, class-imbalance treatment and semi-supervised learning. We hope that FDB provides a common playground for researchers and practitioners in the fraud detection domain to develop robust and customized machine learning techniques targeting various fraud use cases.

Hao Zhou, Zhijun Wang, Shujian Huang et al.

Large Language Models (LLMs) are often English-centric due to the disproportionate distribution of languages in their pre-training data. Enhancing non-English language capabilities through post-pretraining often results in catastrophic forgetting of the ability of original languages. Previous methods either achieve good expansion with severe forgetting or slight forgetting with poor expansion, indicating the challenge of balancing language expansion while preventing forgetting. In this paper, we propose a method called MoE-LPR (Mixture-of-Experts with Language Priors Routing) to alleviate this problem. MoE-LPR employs a two-stage training approach to enhance the multilingual capability. First, the model is post-pretrained into a Mixture-of-Experts (MoE) architecture by upcycling, where all the original parameters are frozen and new experts are added. In this stage, we focus improving the ability on expanded languages, without using any original language data. Then, the model reviews the knowledge of the original languages with replay data amounting to less than 1% of post-pretraining, where we incorporate language priors routing to better recover the abilities of the original languages. Evaluations on multiple benchmarks show that MoE-LPR outperforms other post-pretraining methods. Freezing original parameters preserves original language knowledge while adding new experts preserves the learning ability. Reviewing with LPR enables effective utilization of multilingual knowledge within the parameters. Additionally, the MoE architecture maintains the same inference overhead while increasing total model parameters. Extensive experiments demonstrate MoE-LPR's effectiveness in improving expanded languages and preserving original language proficiency with superior scalability. Code and scripts are freely available at https://github.com/zjwang21/MoE-LPR.git.

Keyue Qiu, Yixin Wu, Lihao Wang et al.

We present AMix-2, a protein-text foundation model that establishes protein as a native modality in large language models (LLMs), unifying protein understanding and sequence design within a single foundation model. AMix-2 is built upon two key ideas: (1) a unified protein-text formulation that embeds natural language and protein sequence in a shared token space, enabling one model to perform biological reasoning and conditional design instead of separate downstream task-specialized models; and (2) a block-wise diffusion language modeling backbone that combines causal generation across blocks with bidirectional context and iterative refinement within blocks. This scheme better matches the intrinsic nature of proteins than a strict left-to-right factorization. To evaluate protein foundation models under realistic generalization settings, we further introduce ProteinArena, a comprehensive benchmark with time-aware and homology-aware protocols across various understanding and design tasks, and with baselines covering classical bioinformatics tools, protein-specialized models and LLMs. On ProteinArena, AMix-2 outperforms frontier LLMs and demonstrates competitive performance to task-specific protein models. Controlled experiments further show that the diffusion-based paradigm generally surpasses its autoregressive counterpart, highlighting the advantage of flexible generation order for protein sequences. We release both AMix-2 and ProteinArena to facilitate open research in protein foundation models.

Xiaoyu Zhu, Hao Zhou, Pengfei Xing et al. · deepmind

In this paper, we investigate the use of diffusion models which are pre-trained on large-scale image-caption pairs for open-vocabulary 3D semantic understanding. We propose a novel method, namely Diff2Scene, which leverages frozen representations from text-image generative models, along with salient-aware and geometric-aware masks, for open-vocabulary 3D semantic segmentation and visual grounding tasks. Diff2Scene gets rid of any labeled 3D data and effectively identifies objects, appearances, materials, locations and their compositions in 3D scenes. We show that it outperforms competitive baselines and achieves significant improvements over state-of-the-art methods. In particular, Diff2Scene improves the state-of-the-art method on ScanNet200 by 12%.

Hao Zhou, Simon A. Lee, Cyrus Tanade et al.

Biosignals acquired from different locations on the body often provide temporally ordered views of the same underlying physiological process. However, most existing self supervised learning methods treat these signals as interchangeable views, overlooking the directional temporal dynamics that link them. A canonical example is the relationship between electrocardiography (ECG), which captures the electrical activation initiating each heartbeat, and photoplethysmography (PPG), which records the resulting peripheral pulse delayed by vascular dynamics. To capture this structured relationship, we introduce xMAE, a biosignal pretraining framework that leverages masked cross modal reconstruction across temporally ordered biosignals as a training time constraint to encourage physiologically meaningful timing structure in the learned representations. We show that pretraining with xMAE yields representations that outperform both unimodal and multimodal baselines on 15 of 19 downstream tasks, including cardiovascular outcome prediction, abnormal laboratory test detection, sleep staging, and demographic inference, while generalizing across devices, body locations, and acquisition settings. Further analysis suggests that the ECG PPG timing structure is reflected in the learned PPG representations. More broadly, xMAE demonstrates the effectiveness of incorporating temporal structure into multimodal pretraining when signals observe different stages of a shared underlying process. Code is available at https://github.com/hzhou3/xMAE.

Fei Huang, Hao Zhou, Yang Liu et al. · tsinghua

Non-autoregressive Transformers (NATs) significantly reduce the decoding latency by generating all tokens in parallel. However, such independent predictions prevent NATs from capturing the dependencies between the tokens for generating multiple possible translations. In this paper, we propose Directed Acyclic Transfomer (DA-Transformer), which represents the hidden states in a Directed Acyclic Graph (DAG), where each path of the DAG corresponds to a specific translation. The whole DAG simultaneously captures multiple translations and facilitates fast predictions in a non-autoregressive fashion. Experiments on the raw training data of WMT benchmark show that DA-Transformer substantially outperforms previous NATs by about 3 BLEU on average, which is the first NAT model that achieves competitive results with autoregressive Transformers without relying on knowledge distillation.

Jiangtao Feng, Yi Zhou, Jun Zhang et al.

PARAGEN is a PyTorch-based NLP toolkit for further development on parallel generation. PARAGEN provides thirteen types of customizable plugins, helping users to experiment quickly with novel ideas across model architectures, optimization, and learning strategies. We implement various features, such as unlimited data loading and automatic model selection, to enhance its industrial usage. ParaGen is now deployed to support various research and industry applications at ByteDance. PARAGEN is available at https://github.com/bytedance/ParaGen.

Wenkai Yang, Deli Chen, Hao Zhou et al. · pku, tsinghua

Federated Learning (FL) has become a popular distributed learning paradigm that involves multiple clients training a global model collaboratively in a data privacy-preserving manner. However, the data samples usually follow a long-tailed distribution in the real world, and FL on the decentralized and long-tailed data yields a poorly-behaved global model severely biased to the head classes with the majority of the training samples. To alleviate this issue, decoupled training has recently been introduced to FL, considering it has achieved promising results in centralized long-tailed learning by re-balancing the biased classifier after the instance-balanced training. However, the current study restricts the capacity of decoupled training in federated long-tailed learning with a sub-optimal classifier re-trained on a set of pseudo features, due to the unavailability of a global balanced dataset in FL. In this work, in order to re-balance the classifier more effectively, we integrate the local real data with the global gradient prototypes to form the local balanced datasets, and thus re-balance the classifier during the local training. Furthermore, we introduce an extra classifier in the training phase to help model the global data distribution, which addresses the problem of contradictory optimization goals caused by performing classifier re-balancing locally. Extensive experiments show that our method consistently outperforms the existing state-of-the-art methods in various settings.

Qiying Yu, Yudi Zhang, Yuyan Ni et al. · tsinghua

Self-supervised learning has recently gained growing interest in molecular modeling for scientific tasks such as AI-assisted drug discovery. Current studies consider leveraging both 2D and 3D molecular structures for representation learning. However, relying on straightforward alignment strategies that treat each modality separately, these methods fail to exploit the intrinsic correlation between 2D and 3D representations that reflect the underlying structural characteristics of molecules, and only perform coarse-grained molecule-level alignment. To derive fine-grained alignment and promote structural molecule understanding, we introduce an atomic-relation level "blend-then-predict" self-supervised learning approach, MoleBLEND, which first blends atom relations represented by different modalities into one unified relation matrix for joint encoding, then recovers modality-specific information for 2D and 3D structures individually. By treating atom relationships as anchors, MoleBLEND organically aligns and integrates visually dissimilar 2D and 3D modalities of the same molecule at fine-grained atomic level, painting a more comprehensive depiction of each molecule. Extensive experiments show that MoleBLEND achieves state-of-the-art performance across major 2D/3D molecular benchmarks. We further provide theoretical insights from the perspective of mutual-information maximization, demonstrating that our method unifies contrastive, generative (cross-modality prediction) and mask-then-predict (single-modality prediction) objectives into one single cohesive framework.

Ryuichi Takanobu, Hao Zhou, Yankai Lin et al. · tencent-ai, tsinghua

How to build and use dialogue data efficiently, and how to deploy models in different domains at scale can be two critical issues in building a task-oriented dialogue system. In this paper, we propose a novel manual-guided dialogue scheme to alleviate these problems, where the agent learns the tasks from both dialogue and manuals. The manual is an unstructured textual document that guides the agent in interacting with users and the database during the conversation. Our proposed scheme reduces the dependence of dialogue models on fine-grained domain ontology, and makes them more flexible to adapt to various domains. We then contribute a fully-annotated multi-domain dataset MagDial to support our scheme. It introduces three dialogue modeling subtasks: instruction matching, argument filling, and response generation. Modeling these subtasks is consistent with the human agent's behavior patterns. Experiments demonstrate that the manual-guided dialogue scheme improves data efficiency and domain scalability in building dialogue systems. The dataset and benchmark will be publicly available for promoting future research.

Keyue Qiu, Xintong Wang, Zhilong Zhang et al.

Biomolecules such as proteins and small-molecule ligands play a central role in biological systems, arising from the tight interplay between sequence and three-dimensional structure. Recent generative models for biomolecular co-design aim to capture this interplay by jointly modeling coupled modalities. However, existing approaches largely adopt a parallel execution of marginal generative processes, implicitly enforcing fixed synchronous coupling. We argue that a critical but overlooked degree of freedom lies in how these marginal processes are temporally coupled during training and generation, where inappropriate coupling can introduce high-variance supervision and inconsistent intermediate states, affecting modality consistency. To address this, we introduce GeoCoupling, a systematic framework that optimizes for temporal couplings between heterogeneous modalities. Empirical results across structure-based drug design and unconditional protein design demonstrate the learned couplings consistently outperform synchronous and randomly coupled baselines, yielding biomolecules with improved physical validity and diversity.

Yuxiang Huang, Mingye Li, Xu Han et al.

The efficiency of long-video inference remains a critical bottleneck, mainly due to the dense computation in the prefill stage of Large Multimodal Models (LMMs). Existing methods either compress visual embeddings or apply sparse attention on a single GPU, yielding limited acceleration or degraded performance and restricting LMMs from handling longer, more complex videos. To overcome these issues, we propose Spava, a sequence-parallel framework with optimized attention that accelerates long-video inference across multiple GPUs. By distributing approximate attention, Spava reduces computation and increases parallelism, enabling efficient processing of more visual embeddings without compression and thereby improving task performance. System-level optimizations, such as load balancing and fused forward passes, further unleash the potential of Spava, delivering speedups of 12.72x, 1.70x, and 1.18x over FlashAttn, ZigZagRing, and APB, without notable performance loss. Code available at https://github.com/thunlp/APB

Huijie Yao, Wengang Zhou, Hao Feng et al.

This paper presents IP-SLT, a simple yet effective framework for sign language translation (SLT). Our IP-SLT adopts a recurrent structure and enhances the semantic representation (prototype) of the input sign language video via an iterative refinement manner. Our idea mimics the behavior of human reading, where a sentence can be digested repeatedly, till reaching accurate understanding. Technically, IP-SLT consists of feature extraction, prototype initialization, and iterative prototype refinement. The initialization module generates the initial prototype based on the visual feature extracted by the feature extraction module. Then, the iterative refinement module leverages the cross-attention mechanism to polish the previous prototype by aggregating it with the original video feature. Through repeated refinement, the prototype finally converges to a more stable and accurate state, leading to a fluent and appropriate translation. In addition, to leverage the sequential dependence of prototypes, we further propose an iterative distillation loss to compress the knowledge of the final iteration into previous ones. As the autoregressive decoding process is executed only once in inference, our IP-SLT is ready to improve various SLT systems with acceptable overhead. Extensive experiments are conducted on public benchmarks to demonstrate the effectiveness of the IP-SLT.

Rahul Duggal, Shengyun Peng, Hao Zhou et al. · gatech

Class imbalance is a ubiquitous phenomenon occurring in real world data distributions. To overcome its detrimental effect on training accurate classifiers, existing work follows three major directions: class re-balancing, information transfer, and representation learning. In this paper, we propose a new and complementary direction for improving performance on long tailed datasets - optimizing the backbone architecture through neural architecture search (NAS). We find that an architecture's accuracy obtained on a balanced dataset is not indicative of good performance on imbalanced ones. This poses the need for a full NAS run on long tailed datasets which can quickly become prohibitively compute intensive. To alleviate this compute burden, we aim to efficiently adapt a NAS super-network from a balanced source dataset to an imbalanced target one. Among several adaptation strategies, we find that the most effective one is to retrain the linear classification head with reweighted loss, while freezing the backbone NAS super-network trained on a balanced source dataset. We perform extensive experiments on multiple datasets and provide concrete insights to optimize architectures for long tailed datasets.

Danqing Wang, Fei Ye, Hao Zhou

Antibodies are vital proteins offering robust protection for the human body from pathogens. The development of general protein and antibody-specific pre-trained language models both facilitate antibody prediction tasks. However, there have been limited studies that comprehensively explore the representation capability of distinct pre-trained language models on different antibody tasks. To investigate the problem, we aim to answer several key questions in this paper, such as how pre-trained language models perform in antibody tasks with different specificity and how introducing specific biological mechanisms to the pre-training process can benefit the model. Additionally, we evaluate if the learned antibody pre-trained representations can be applied to real-world antibody problems, like drug discovery and immune process understanding. Previously, no benchmark available largely hindered the study to answer these questions. To aid in our investigation, we provide an AnTibody Understanding Evaluation (ATUE) benchmark. We comprehensively evaluate the performance of protein pre-trained language models by empirical study along with conclusions and new insights. Our ATUE and code are released at https://github.com/dqwang122/EATLM.

Yi Liu, Lianzhe Huang, Shicheng Li et al.

LLMs and AI chatbots have improved people's efficiency in various fields. However, the necessary knowledge for answering the question may be beyond the models' knowledge boundaries. To mitigate this issue, many researchers try to introduce external knowledge, such as knowledge graphs and Internet contents, into LLMs for up-to-date information. However, the external information from the Internet may include counterfactual information that will confuse the model and lead to an incorrect response. Thus there is a pressing need for LLMs to possess the ability to distinguish reliable information from external knowledge. Therefore, to evaluate the ability of LLMs to discern the reliability of external knowledge, we create a benchmark from existing knowledge bases. Our benchmark consists of two tasks, Question Answering and Text Generation, and for each task, we provide models with a context containing counterfactual information. Evaluation results show that existing LLMs are susceptible to interference from unreliable external knowledge with counterfactual information, and simple intervention methods make limited contributions to the alleviation of this issue.

Yiqun Wang, Yuning Shen, Shi Chen et al. · tsinghua

Molecular representation learning plays a crucial role in AI-assisted drug discovery research. Encoding 3D molecular structures through Euclidean neural networks has become the prevailing method in the geometric deep learning community. However, the equivariance constraints and message passing in Euclidean space may limit the network expressive power. In this work, we propose a Harmonic Molecular Representation learning (HMR) framework, which represents a molecule using the Laplace-Beltrami eigenfunctions of its molecular surface. HMR offers a multi-resolution representation of molecular geometric and chemical features on 2D Riemannian manifold. We also introduce a harmonic message passing method to realize efficient spectral message passing over the surface manifold for better molecular encoding. Our proposed method shows comparable predictive power to current models in small molecule property prediction, and outperforms the state-of-the-art deep learning models for ligand-binding protein pocket classification and the rigid protein docking challenge, demonstrating its versatility in molecular representation learning.

Yiming Wang, Yuxuan Song, Yiqun Wang et al.

Retrosynthesis poses a key challenge in biopharmaceuticals, aiding chemists in finding appropriate reactant molecules for given product molecules. With reactants and products represented as 2D graphs, retrosynthesis constitutes a conditional graph-to-graph (G2G) generative task. Inspired by advancements in discrete diffusion models for graph generation, we aim to design a diffusion-based method to address this problem. However, integrating a diffusion-based G2G framework while retaining essential chemical reaction template information presents a notable challenge. Our key innovation involves a multi-stage diffusion process. We decompose the retrosynthesis procedure to first sample external groups from the dummy distribution given products, then generate external bonds to connect products and generated groups. Interestingly, this generation process mirrors the reverse of the widely adapted semi-template retrosynthesis workflow, \emph{i.e.} from reaction center identification to synthon completion. Based on these designs, we introduce Retrosynthesis Diffusion (RetroDiff), a novel diffusion-based method for the retrosynthesis task. Experimental results demonstrate that RetroDiff surpasses all semi-template methods in accuracy, and outperforms template-based and template-free methods in large-scale scenarios and molecular validity, respectively. Code: https://github.com/Alsace08/RetroDiff.

Rahul Duggal, Hao Zhou, Shuo Yang et al. · amazon-science

With the shift towards on-device deep learning, ensuring a consistent behavior of an AI service across diverse compute platforms becomes tremendously important. Our work tackles the emergent problem of reducing predictive inconsistencies arising as negative flips: test samples that are correctly predicted by a less accurate model, but incorrectly by a more accurate one. We introduce REGression constrained Neural Architecture Search (REG-NAS) to design a family of highly accurate models that engender fewer negative flips. REG-NAS consists of two components: (1) A novel architecture constraint that enables a larger model to contain all the weights of the smaller one thus maximizing weight sharing. This idea stems from our observation that larger weight sharing among networks leads to similar sample-wise predictions and results in fewer negative flips; (2) A novel search reward that incorporates both Top-1 accuracy and negative flips in the architecture search metric. We demonstrate that \regnas can successfully find desirable architectures with few negative flips in three popular architecture search spaces. Compared to the existing state-of-the-art approach, REG-NAS enables 33-48% relative reduction of negative flips.

Fu-Yun Wang, Hao Zhou, Liangzhe Yuan et al.

The slow inference process of image diffusion models significantly degrades interactive user experiences. To address this, we introduce Diffusion Preview, a novel paradigm employing rapid, low-step sampling to generate preliminary outputs for user evaluation, deferring full-step refinement until the preview is deemed satisfactory. Existing acceleration methods, including training-free solvers and post-training distillation, struggle to deliver high-quality previews or ensure consistency between previews and final outputs. We propose ConsistencySolver derived from general linear multistep methods, a lightweight, trainable high-order solver optimized via Reinforcement Learning, that enhances preview quality and consistency. Experimental results demonstrate that ConsistencySolver significantly improves generation quality and consistency in low-step scenarios, making it ideal for efficient preview-and-refine workflows. Notably, it achieves FID scores on-par with Multistep DPM-Solver using 47% fewer steps, while outperforming distillation baselines. Furthermore, user studies indicate our approach reduces overall user interaction time by nearly 50% while maintaining generation quality. Code is available at https://github.com/G-U-N/consolver.

Xiaoyu Tian, Haotian Wang, Shuaiting Chen et al.

Large language models (LLMs) are increasingly used as tool-augmented agents for multi-step decision making, yet training robust tool-using agents remains challenging. Existing methods still require manual intervention, depend on non-verifiable simulated environments, rely exclusively on either supervised fine-tuning (SFT) or reinforcement learning (RL), and struggle with stable long-horizon, multi-turn learning. To address these challenges, we introduce ASTRA, a fully automated end-to-end framework for training tool-augmented language model agents via scalable data synthesis and verifiable reinforcement learning. ASTRA integrates two complementary components. First, a pipeline that leverages the static topology of tool-call graphs synthesizes diverse, structurally grounded trajectories, instilling broad and transferable tool-use competence. Second, an environment synthesis framework that captures the rich, compositional topology of human semantic reasoning converts decomposed question-answer traces into independent, code-executable, and rule-verifiable environments, enabling deterministic multi-turn RL. Based on this method, we develop a unified training methodology that integrates SFT with online RL using trajectory-level rewards to balance task completion and interaction efficiency. Experiments on multiple agentic tool-use benchmarks demonstrate that ASTRA-trained models achieve state-of-the-art performance at comparable scales, approaching closed-source systems while preserving core reasoning ability. We release the full pipelines, environments, and trained models at https://github.com/LianjiaTech/astra.

Hao Zhou, Shaoming Li, Guibin Jiang et al.

Marketing is an important mechanism to increase user engagement and improve platform revenue, and heterogeneous causal learning can help develop more effective strategies. Most decision-making problems in marketing can be formulated as resource allocation problems and have been studied for decades. Existing works usually divide the solution procedure into two fully decoupled stages, i.e., machine learning (ML) and operation research (OR) -- the first stage predicts the model parameters and they are fed to the optimization in the second stage. However, the error of the predicted parameters in ML cannot be respected and a series of complex mathematical operations in OR lead to the increased accumulative errors. Essentially, the improved precision on the prediction parameters may not have a positive correlation on the final solution due to the side-effect from the decoupled design. In this paper, we propose a novel approach for solving resource allocation problems to mitigate the side-effects. Our key intuition is that we introduce the decision factor to establish a bridge between ML and OR such that the solution can be directly obtained in OR by only performing the sorting or comparison operations on the decision factor. Furthermore, we design a customized loss function that can conduct direct heterogeneous causal learning on the decision factor, an unbiased estimation of which can be guaranteed when the loss converges. As a case study, we apply our approach to two crucial problems in marketing: the binary treatment assignment problem and the budget allocation problem with multiple treatments. Both large-scale simulations and online A/B Tests demonstrate that our approach achieves significant improvement compared with state-of-the-art.

Wenqiao Zhang, Zheqi Lv, Hao Zhou et al.

Active Domain Adaptation (ADA) aims to maximally boost model adaptation in a new target domain by actively selecting a limited number of target data to annotate.This setting neglects the more practical scenario where training data are collected from multiple sources. This motivates us to target a new and challenging setting of knowledge transfer that extends ADA from a single source domain to multiple source domains, termed Multi-source Active Domain Adaptation (MADA). Not surprisingly, we find that most traditional ADA methods cannot work directly in such a setting, mainly due to the excessive domain gap introduced by all the source domains and thus their uncertainty-aware sample selection can easily become miscalibrated under the multi-domain shifts. Considering this, we propose a Dynamic integrated uncertainty valuation framework(Detective) that comprehensively consider the domain shift between multi-source domains and target domain to detect the informative target samples. Specifically, the leverages a dynamic Domain Adaptation(DA) model that learns how to adapt the model's parameters to fit the union of multi-source domains. This enables an approximate single-source domain modeling by the dynamic model. We then comprehensively measure both domain uncertainty and predictive uncertainty in the target domain to detect informative target samples using evidential deep learning, thereby mitigating uncertainty miscalibration. Furthermore, we introduce a contextual diversity-aware calculator to enhance the diversity of the selected samples. Experiments demonstrate that our solution outperforms existing methods by a considerable margin on three domain adaptation benchmarks.

Qiying Yu, Zheng Zhang, Ruofei Zhu et al. · tsinghua

Inference scaling empowers LLMs with unprecedented reasoning ability, with reinforcement learning as the core technique to elicit complex reasoning. However, key technical details of state-of-the-art reasoning LLMs are concealed (such as in OpenAI o1 blog and DeepSeek R1 technical report), thus the community still struggles to reproduce their RL training results. We propose the $\textbf{D}$ecoupled Clip and $\textbf{D}$ynamic s$\textbf{A}$mpling $\textbf{P}$olicy $\textbf{O}$ptimization ($\textbf{DAPO}$) algorithm, and fully open-source a state-of-the-art large-scale RL system that achieves 50 points on AIME 2024 using Qwen2.5-32B base model. Unlike previous works that withhold training details, we introduce four key techniques of our algorithm that make large-scale LLM RL a success. In addition, we open-source our training code, which is built on the verl framework, along with a carefully curated and processed dataset. These components of our open-source system enhance reproducibility and support future research in large-scale LLM RL.

Hanyang Wang, Hao Zhou, Sibo Cheng

Despite the success of various methods in addressing the issue of spatial reconstruction of dynamical systems with sparse observations, spatio-temporal prediction for sparse fields remains a challenge. Existing Kriging-based frameworks for spatio-temporal sparse field prediction fail to meet the accuracy and inference time required for nonlinear dynamic prediction problems. In this paper, we introduce the Dynamical System Prediction from Sparse Observations using Voronoi Tessellation (DSOVT) framework, an innovative methodology based on Voronoi tessellation which combines convolutional encoder-decoder (CED) and long short-term memory (LSTM) and utilizing Convolutional Long Short-Term Memory (ConvLSTM). By integrating Voronoi tessellations with spatio-temporal deep learning models, DSOVT is adept at predicting dynamical systems with unstructured, sparse, and time-varying observations. CED-LSTM maps Voronoi tessellations into a low-dimensional representation for time series prediction, while ConvLSTM directly uses these tessellations in an end-to-end predictive model. Furthermore, we incorporate physics constraints during the training process for dynamical systems with explicit formulas. Compared to purely data-driven models, our physics-based approach enables the model to learn physical laws within explicitly formulated dynamics, thereby enhancing the robustness and accuracy of rolling forecasts. Numerical experiments on real sea surface data and shallow water systems clearly demonstrate our framework's accuracy and computational efficiency with sparse and time-varying observations.

Jiapeng Guan, Jie Zhang, Hao Zhou et al.

DNNs and LLMs increasingly rely on hardware accelerators, including in safety-critical domains, while technology scaling and growing model complexity make hardware faults more frequent. Existing system-level mechanisms typically treat the NPU as a monolithic unit, using coarse-grained replication that incurs prohibitive performance and hardware overheads, leaving a gap between reliability requirements and deployable solutions. To bridge this gap, we present Strix, a full-stack NPU reliability framework on an open-source SoC, spanning micro-architecture, ISA, and programming methods. Strix re-partitions the NPU along the system inference pipeline, identifies dominant failure modes, and attaches targeted safeguards, achieving sub-micro-second fault localisation, error detection, and correction with only 1.04$\times$ slowdown and minimal hardware overhead.

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.

Hao Zhou, Lu Qi, Jason Li et al.

Trajectory prediction is critical for autonomous driving, enabling safe and efficient planning in dense, dynamic traffic. Most existing methods optimize prediction accuracy under fixed-length observations. However, real-world driving often yields variable-length, incomplete observations, posing a challenge to these methods. A common strategy is to directly map features from incomplete observations to those from complete ones. This one-shot mapping, however, struggles to learn accurate representations for short trajectories due to significant information gaps. To address this issue, we propose a Progressive Retrospective Framework (PRF), which gradually aligns features from incomplete observations with those from complete ones via a cascade of retrospective units. Each unit consists of a Retrospective Distillation Module (RDM) and a Retrospective Prediction Module (RPM), where RDM distills features and RPM recovers previous timesteps using the distilled features. Moreover, we propose a Rolling-Start Training Strategy (RSTS) that enhances data efficiency during PRF training. PRF is plug-and-play with existing methods. Extensive experiments on datasets Argoverse 2 and Argoverse 1 demonstrate the effectiveness of PRF. Code is available at https://github.com/zhouhao94/PRF.

Can Jiang, Xiong Liang, Yu-Cheng Zhou et al.

In Chinese building codes, it is required that residential buildings receive a minimum number of hours of natural, direct sunlight on a specified winter day, which represents the worst sunlight condition in a year. This requirement is a prerequisite for obtaining a building permit during the conceptual design of a residential project. Thus, officially sanctioned software is usually used to assess the sunlight performance of buildings. These software programs predict sunlight hours based on repeated shading calculations, which is time-consuming. This paper proposed a multilayer perceptron-based method, a one-stage prediction approach, which outputs a shading time interval caused by the inputted cuboid-form building. The sunlight hours of a site can be obtained by calculating the union of the sunlight time intervals (complement of shading time interval) of all the buildings. Three numerical experiments, i.e., horizontal level and slope analysis, and simulation-based optimization are carried out; the results show that the method reduces the computation time to 1/84~1/50 with 96.5%~98% accuracies. A residential neighborhood layout planning plug-in for Rhino 7/Grasshopper is also developed based on the proposed model. This paper indicates that deep learning techniques can be adopted to accelerate sunlight hour simulations at the conceptual design phase.

Zhexin Zhang, Yida Lu, Junfeng Fang et al.

Safety risks of AI models have been widely studied at deployment time, such as jailbreak attacks that elicit harmful outputs. In contrast, safety risks emerging during training remain largely unexplored. Beyond explicit reward hacking that directly manipulates explicit reward functions in reinforcement learning, we study implicit training-time safety risks: harmful behaviors driven by a model's internal incentives and contextual background information. For example, during code-based reinforcement learning, a model may covertly manipulate logged accuracy for self-preservation. We present the first systematic study of this problem, introducing a taxonomy with five risk levels, ten fine-grained risk categories, and three incentive types. Extensive experiments reveal the prevalence and severity of these risks: notably, Llama-3.1-8B-Instruct exhibits risky behaviors in 74.4% of training runs when provided only with background information. We further analyze factors influencing these behaviors and demonstrate that implicit training-time risks also arise in multi-agent training settings. Our results identify an overlooked yet urgent safety challenge in training.

Hao Zhou, Tiancheng Shen, Xu Yang et al.

In this paper, we highlight a problem of evaluation metrics adopted in the open-vocabulary segmentation. That is, the evaluation process still heavily relies on closed-set metrics on zero-shot or cross-dataset pipelines without considering the similarity between predicted and ground truth categories. To tackle this issue, we first survey eleven similarity measurements between two categorical words using WordNet linguistics statistics, text embedding, and language models by comprehensive quantitative analysis and user study. Built upon those explored measurements, we designed novel evaluation metrics, namely Open mIoU, Open AP, and Open PQ, tailored for three open-vocabulary segmentation tasks. We benchmarked the proposed evaluation metrics on 12 open-vocabulary methods of three segmentation tasks. Even though the relative subjectivity of similarity distance, we demonstrate that our metrics can still well evaluate the open ability of the existing open-vocabulary segmentation methods. We hope that our work can bring with the community new thinking about how to evaluate the open ability of models. The evaluation code is released in github.

Lihua Qian, Mingxuan Wang, Yang Liu et al.

Previously, non-autoregressive models were widely perceived as being superior in generation efficiency but inferior in generation quality due to the difficulties of modeling multiple target modalities. To enhance the multi-modality modeling ability, we propose the diffusion glancing transformer, which employs a modality diffusion process and residual glancing sampling. The modality diffusion process is a discrete process that interpolates the multi-modal distribution along the decoding steps, and the residual glancing sampling approach guides the model to continuously learn the remaining modalities across the layers. Experimental results on various machine translation and text generation benchmarks demonstrate that DIFFGLAT achieves better generation accuracy while maintaining fast decoding speed compared with both autoregressive and non-autoregressive models.

Hao Zhou, Yixin Chen, David Troendle et al.

An automated and accurate fabric defect inspection system is in high demand as a replacement for slow, inconsistent, error-prone, and expensive human operators in the textile industry. Previous efforts focused on certain types of fabrics or defects, which is not an ideal solution. In this paper, we propose a novel one-class model that is capable of detecting various defects on different fabric types. Our model takes advantage of a well-designed Gabor filter bank to analyze fabric texture. We then leverage an advanced deep learning algorithm, autoencoder, to learn general feature representations from the outputs of the Gabor filter bank. Lastly, we develop a nearest neighbor density estimator to locate potential defects and draw them on the fabric images. We demonstrate the effectiveness and robustness of the proposed model by testing it on various types of fabrics such as plain, patterned, and rotated fabrics. Our model also achieves a true positive rate (a.k.a recall) value of 0.895 with no false alarms on our dataset based upon the Standard Fabric Defect Glossary.

Long Zhao, Nitesh B. Gundavarapu, Liangzhe Yuan et al. · deepmind

We introduce VideoPrism, a general-purpose video encoder that tackles diverse video understanding tasks with a single frozen model. We pretrain VideoPrism on a heterogeneous corpus containing 36M high-quality video-caption pairs and 582M video clips with noisy parallel text (e.g., ASR transcripts). The pretraining approach improves upon masked autoencoding by global-local distillation of semantic video embeddings and a token shuffling scheme, enabling VideoPrism to focus primarily on the video modality while leveraging the invaluable text associated with videos. We extensively test VideoPrism on four broad groups of video understanding tasks, from web video question answering to CV for science, achieving state-of-the-art performance on 31 out of 33 video understanding benchmarks. Our models are released at https://github.com/google-deepmind/videoprism.

Hao Zhou, Chongyang Zhang, Yanjun Chen et al.

Temporal grounding aims to retrieve moments of the described event within an untrimmed video by a language query. Typically, existing methods assume annotations are precise and unique, yet one query may describe multiple moments in many cases. Hence, simply taking it as a one-vs-one mapping task and striving to match single-label annotations will inevitably introduce false negatives during optimization. In this study, we reformulate this task as a one-vs-many optimization problem under the condition of single positive labels. The unlabeled moments are considered unobserved rather than negative, and we explore mining potential positive moments to assist in multiple moment retrieval. In this setting, we propose a novel Diverse Temporal Grounding framework, termed DTG-SPL, which mainly consists of a positive moment estimation (PME) module and a diverse moment regression (DMR) module. PME leverages semantic reconstruction information and an expected positive regularization to uncover potential positive moments in an online fashion. Under the supervision of these pseudo positives, DMR is able to localize diverse moments in parallel that meet different users. The entire framework allows for end-to-end optimization as well as fast inference. Extensive experiments on Charades-STA and ActivityNet Captions show that our method achieves superior performance in terms of both single-label and multi-label metrics.