arXiv subjects

Lei Bai

Publications and source records attributed to Lei Bai.

At least 181 records · Page 10Linked to original sources

arXiv2025

Spatial-Temporal-Spectral Unified Modeling for Remote Sensing Dense Prediction

The proliferation of multi-source remote sensing data has propelled the development of deep learning for dense prediction, yet significant challenges in data and task unification persist. Current deep learning architectures for remote sensing are fundamentally rigid. They are engineered for fixed input-output configurations, restricting their adaptability to the heterogeneous spatial, temporal, and spectral dimensions inherent in real-world data. Furthermore, these models neglect the intrinsic correlations among semantic segmentation, binary change detection, and semantic change detection, necessitating the development of distinct models or task-specific decoders. This paradigm is also constrained to a predefined set of output semantic classes, where any change to the classes requires costly retraining. To overcome these limitations, we introduce the Spatial-Temporal-Spectral Unified Network (STSUN) for unified modeling. STSUN can adapt to input and output data with arbitrary spatial sizes, temporal lengths, and spectral bands by leveraging their metadata for a unified representation. Moreover, STSUN unifies disparate dense prediction tasks within a single architecture by conditioning the model on trainable task embeddings. Similarly, STSUN facilitates flexible prediction across multiple set of semantic categories by integrating trainable category embeddings as metadata. Extensive experiments on multiple datasets with diverse Spatial-Temporal-Spectral configurations in multiple scenarios demonstrate that a single STSUN model effectively adapts to heterogeneous inputs and outputs, unifying various dense prediction tasks and diverse semantic class predictions. The proposed approach consistently achieves state-of-the-art performance, highlighting its robustness and generalizability for complex remote sensing applications.

cs.CV↗

arXiv2025

Iterative Pretraining Framework for Interatomic Potentials

Machine learning interatomic potentials (MLIPs) enable efficient molecular dynamics (MD) simulations with ab initio accuracy and have been applied across various domains in physical science. However, their performance often relies on large-scale labeled training data. While existing pretraining strategies can improve model performance, they often suffer from a mismatch between the objectives of pretraining and downstream tasks or rely on extensive labeled datasets and increasingly complex architectures to achieve broad generalization. To address these challenges, we propose Iterative Pretraining for Interatomic Potentials (IPIP), a framework designed to iteratively improve the predictive performance of MLIP models. IPIP incorporates a forgetting mechanism to prevent iterative training from converging to suboptimal local minima. Unlike general-purpose foundation models, which frequently underperform on specialized tasks due to a trade-off between generality and system-specific accuracy, IPIP achieves higher accuracy and efficiency using lightweight architectures. Compared to general-purpose force fields, this approach achieves over 80% reduction in prediction error and up to 4x speedup in the challenging Mo-S-O system, enabling fast and accurate simulations.

physics.comp-ph↗

arXiv2025

Chimera: Improving Generalist Model with Domain-Specific Experts

Recent advancements in Large Multi-modal Models (LMMs) underscore the importance of scaling by increasing image-text paired data, achieving impressive performance on general tasks. Despite their effectiveness in broad applications, generalist models are primarily trained on web-scale datasets dominated by natural images, resulting in the sacrifice of specialized capabilities for domain-specific tasks that require extensive domain prior knowledge. Moreover, directly integrating expert models tailored for specific domains is challenging due to the representational gap and imbalanced optimization between the generalist model and experts. To address these challenges, we introduce Chimera, a scalable and low-cost multi-modal pipeline designed to boost the ability of existing LMMs with domain-specific experts. Specifically, we design a progressive training strategy to integrate features from expert models into the input of a generalist LMM. To address the imbalanced optimization caused by the well-aligned general visual encoder, we introduce a novel Generalist-Specialist Collaboration Masking (GSCM) mechanism. This results in a versatile model that excels across the chart, table, math, and document domains, achieving state-of-the-art performance on multi-modal reasoning and visual content extraction tasks, both of which are challenging tasks for assessing existing LMMs.

cs.CV↗

arXiv2025

InternAgent: When Agent Becomes the Scientist -- Building Closed-Loop System from Hypothesis to Verification

Artificial Intelligence (AI) is accelerating the transformation of scientific research paradigms, not only enhancing research efficiency but also driving innovation. We introduce InternAgent, a unified closed-loop multi-agent framework to conduct Autonomous Scientific Research (ASR) across various scientific research fields, enabling researchers to tackle complicated problems in these fields with unprecedented speed and precision. InternAgent highlights three key advantages: 1) Scalability: InternAgent has demonstrated its versatility across 12 scientific research tasks, capable of generating innovative ideas to enhance the performance of baseline code. 2) Interactivity: InternAgent provides an interface for human expert feedback and multi-agent interaction in automated end-to-end processes, allowing for the seamless integration of domain expert knowledge. 3) Efficiency: InternAgent has achieved promising performance gains in several scientific fields with significantly less time cost compared to human efforts. For instance, in reaction yield prediction, it increased from 27.6% to 35.4% in just 12 hours; in enhancer activity prediction, accuracy rose from 0.65 to 0.79 with only 4 hours of processing; and in 2D semantic segmentation, precision advanced from 78.8% to 81.0% in a mere 30 hours.

cs.AI↗

arXiv2025

VA-MoE: Variables-Adaptive Mixture of Experts for Incremental Weather Forecasting

This paper presents Variables Adaptive Mixture of Experts (VAMoE), a novel framework for incremental weather forecasting that dynamically adapts to evolving spatiotemporal patterns in real time data. Traditional weather prediction models often struggle with exorbitant computational expenditure and the need to continuously update forecasts as new observations arrive. VAMoE addresses these challenges by leveraging a hybrid architecture of experts, where each expert specializes in capturing distinct subpatterns of atmospheric variables (temperature, humidity, wind speed). Moreover, the proposed method employs a variable adaptive gating mechanism to dynamically select and combine relevant experts based on the input context, enabling efficient knowledge distillation and parameter sharing. This design significantly reduces computational overhead while maintaining high forecast accuracy. Experiments on real world ERA5 dataset demonstrate that VAMoE performs comparable against SoTA models in both short term (1 days) and long term (5 days) forecasting tasks, with only about 25% of trainable parameters and 50% of the initial training data.

cs.LG↗

arXiv2025

Squeeze the Soaked Sponge: Efficient Off-policy Reinforcement Finetuning for Large Language Model

Reinforcement Learning (RL) has demonstrated its potential to improve the reasoning ability of Large Language Models (LLMs). One major limitation of most existing Reinforcement Finetuning (RFT) methods is that they are on-policy RL in nature, i.e., data generated during the past learning process is not fully utilized. This inevitably comes at a significant cost of compute and time, posing a stringent bottleneck on continuing economic and efficient scaling. To this end, we launch the renaissance of off-policy RL and propose Reincarnating Mix-policy Proximal Policy Gradient (ReMix), a general approach to enable on-policy RFT methods like PPO and GRPO to leverage off-policy data. ReMix consists of three major components: (1) Mix-policy proximal policy gradient with an increased Update-To-Data (UTD) ratio for efficient training; (2) KL-Convex policy constraint to balance the trade-off between stability and flexibility; (3) Policy reincarnation to achieve a seamless transition from efficient early-stage learning to steady asymptotic improvement. In our experiments, we train a series of ReMix models upon PPO, GRPO and 1.5B, 7B base models. ReMix shows an average Pass@1 accuracy of 52.10% (for 1.5B model) with 0.079M response rollouts, 350 training steps and achieves 63.27%/64.39% (for 7B model) with 0.007M/0.011M response rollouts, 50/75 training steps, on five math reasoning benchmarks (i.e., AIME'24, AMC'23, Minerva, OlympiadBench, and MATH500). Compared with 15 recent advanced models, ReMix shows SOTA-level performance with an over 30x to 450x reduction in training cost in terms of rollout data volume. In addition, we reveal insightful findings via multifaceted analysis, including the implicit preference for shorter responses due to the Whipping Effect of off-policy discrepancy, the collapse mode of self-reflection behavior under the presence of severe off-policyness, etc.

cs.LG↗

arXiv2025

SeisMoLLM: Advancing Seismic Monitoring via Cross-modal Transfer with Pre-trained Large Language Model

Recent advances in deep learning have revolutionized seismic monitoring, yet developing a foundation model that performs well across multiple complex tasks remains challenging, particularly when dealing with degraded signals or data scarcity. This work presents SeisMoLLM, the first foundation model that utilizes cross-modal transfer for seismic monitoring, to unleash the power of large-scale pre-training from a large language model without requiring direct pre-training on seismic datasets. Through elaborate waveform tokenization and fine-tuning of pre-trained GPT-2 model, SeisMoLLM achieves state-of-the-art performance on the DiTing and STEAD datasets across five critical tasks: back-azimuth estimation, epicentral distance estimation, magnitude estimation, phase picking, and first-motion polarity classification. It attains 36 best results out of 43 task metrics and 12 top scores out of 16 few-shot generalization metrics, with many relative improvements ranging from 10% to 50%. In addition to its superior performance, SeisMoLLM maintains efficiency comparable to or even better than lightweight models in both training and inference. These findings establish SeisMoLLM as a promising foundation model for practical seismic monitoring and highlight cross-modal transfer as an exciting new direction for earthquake studies, showcasing the potential of advanced deep learning techniques to propel seismology research forward.

cs.LG↗

arXiv2025

BMMR: A Large-Scale Bilingual Multimodal Multi-Discipline Reasoning Dataset

In this paper, we introduce BMMR, a large-scale bilingual, multimodal, multi-disciplinary reasoning dataset for the community to develop and evaluate large multimodal models (LMMs). BMMR comprises 110k college-level questions spanning 300 UNESCO-defined subjects, spanning diverse formats-multiple-choice, fill-in-the-blank, and open-ended QA-and sourced from both print and digital media such as books, exams, and quizzes. All data are curated and filtered via a human-in-the-loop and scalable framework, and each instance is paired with a high-quality reasoning path. The dataset is organized into two parts: BMMR-Eval that comprises 20,458 high-quality instances to comprehensively assess LMMs' knowledge and reasoning across multiple disciplines in both Chinese and English; and BMMR-Train that contains 88,991 instances to support further research and development, extending the current focus on mathematical reasoning to diverse disciplines and domains. In addition, we propose the process-based multi-discipline verifier (i.e., BMMR-Verifier) for accurate and fine-grained evaluation of reasoning paths. Extensive experiments on 24 models reveal that (i) even SOTA models (e.g., o3 and Gemini-2.5-Pro) leave substantial headroom on BMMR-Eval; (ii) reasoning models exhibit discipline bias and outperform LMMs only on specific subjects; (iii) open-source models still trail their proprietary counterparts; and (iv) fine-tuning on BMMR-Train narrows this gap. Additionally, we conduct reasoning-chain analyses using BMMR-Verifier and other in-depth studies, uncovering the challenges LMMs currently face in multidisciplinary reasoning. We will release the data, and we hope our work can offer insights and contributions to the community.

cs.CL↗

arXiv2025

Physically Consistent Global Atmospheric Data Assimilation with Machine Learning in Latent Space

Data assimilation (DA) integrates observations with model forecasts to produce optimized atmospheric states, whose physical consistency is critical for stable weather forecasting and reliable climate research. Traditional Bayesian DA methods enforce these nonlinear, flow-dependent physical constraints through empirical and tunable covariance structures, but with limited accuracy and robustness. Here, we introduce Latent Data Assimilation (LDA), a framework that performs Bayesian DA in a latent space learned from multivariate global atmospheric data via an autoencoder. We demonstrate that the autoencoder can largely capture nonlinear physical relationships, enabling LDA to produce balanced analyses without explicitly modeling physical constraints. Assimilation in latent space also improves both analysis quality and forecast skill compared to traditional model-space DA, under both idealized and real observational settings. Furthermore, LDA exhibits strong robustness across latent dimensions and remains effective even when the autoencoder is trained on inaccurate but physically realistic forecasts, highlighting its flexibility for real-world applications.

physics.ao-ph↗

arXiv2025

Position: Intelligent Science Laboratory Requires the Integration of Cognitive and Embodied AI

Scientific discovery has long been constrained by human limitations in expertise, physical capability, and sleep cycles. The recent rise of AI scientists and automated laboratories has accelerated both the cognitive and operational aspects of research. However, key limitations persist: AI systems are often confined to virtual environments, while automated laboratories lack the flexibility and autonomy to adaptively test new hypotheses in the physical world. Recent advances in embodied AI, such as generalist robot foundation models, diffusion-based action policies, fine-grained manipulation learning, and sim-to-real transfer, highlight the promise of integrating cognitive and embodied intelligence. This convergence opens the door to closed-loop systems that support iterative, autonomous experimentation and the possibility of serendipitous discovery. In this position paper, we propose the paradigm of Intelligent Science Laboratories (ISLs): a multi-layered, closed-loop framework that deeply integrates cognitive and embodied intelligence. ISLs unify foundation models for scientific reasoning, agent-based workflow orchestration, and embodied agents for robust physical experimentation. We argue that such systems are essential for overcoming the current limitations of scientific discovery and for realizing the full transformative potential of AI-driven science.

cs.AI↗

arXiv2025

Deep Reparameterization for Full Waveform Inversion: Architecture Benchmarking, Robust Inversion, and Multiphysics Extension

Full waveform inversion (FWI) is a high-resolution subsurface imaging technique, but its effectiveness is limited by challenges such as noise contamination, sparse acquisition, and artifacts from multiparameter coupling. To address these limitations, this study develops a deep reparameterized FWI (DR-FWI) framework, in which subsurface parameters are represented by a deep neural network. Instead of directly optimizing the parameters, DR-FWI optimizes the network weights to reconstruct them, thereby embedding structural priors and facilitating optimization. To provide benchmark guidelines for the design of DR-FWI, we conduct a comparative analysis of three representative architectures (U-Net, CNN, MLP) combined with two initial model embedding strategies: one pretraining the network to generate predefined initial models (pretraining-based), while the other directly adds network outputs to the initial models. Extensive ablation experiments show that combining CNN with pretraining-based initialization significantly enhances inversion accuracy, offering valuable insights into network design. To further understand the mechanism of DR-FWI, spectral bias analysis reveals that the network first captures low-frequency features and gradually reconstructs high-frequency details, enabling an adaptive multi-scale inversion strategy. Notably, the robustness of DR-FWI is validated under various noise levels and sparse acquisition scenarios, where its strong performance with limited shots and receivers demonstrates reduced reliance on dense observational data. Additionally, a backbone-branch structure is proposed to extend DR-FWI to multiparameter inversion, and its efficacy in mitigating cross-parameter interference is validated on a synthetic anomaly model and the Marmousi2 model. These results suggest a promising direction for joint inversion involving multiple parameters or multiphysics.

physics.geo-ph↗

arXiv2025

On Learning Multi-Modal Forgery Representation for Diffusion Generated Video Detection

Large numbers of synthesized videos from diffusion models pose threats to information security and authenticity, leading to an increasing demand for generated content detection. However, existing video-level detection algorithms primarily focus on detecting facial forgeries and often fail to identify diffusion-generated content with a diverse range of semantics. To advance the field of video forensics, we propose an innovative algorithm named Multi-Modal Detection(MM-Det) for detecting diffusion-generated videos. MM-Det utilizes the profound perceptual and comprehensive abilities of Large Multi-modal Models (LMMs) by generating a Multi-Modal Forgery Representation (MMFR) from LMM's multi-modal space, enhancing its ability to detect unseen forgery content. Besides, MM-Det leverages an In-and-Across Frame Attention (IAFA) mechanism for feature augmentation in the spatio-temporal domain. A dynamic fusion strategy helps refine forgery representations for the fusion. Moreover, we construct a comprehensive diffusion video dataset, called Diffusion Video Forensics (DVF), across a wide range of forgery videos. MM-Det achieves state-of-the-art performance in DVF, demonstrating the effectiveness of our algorithm. Both source code and DVF are available at https://github.com/SparkleXFantasy/MM-Det.

cs.CV↗

arXiv2025

The Avengers: A Simple Recipe for Uniting Smaller Language Models to Challenge Proprietary Giants

Proprietary giants are increasingly dominating the race for ever-larger language models. Can open-source, smaller models remain competitive across a broad range of tasks? In this paper, we present the Avengers -- a simple recipe that leverages the collective intelligence of these smaller models. The Avengers builds upon four lightweight operations: (i) embedding: encode queries using a text embedding model; (ii) clustering: group queries based on their semantic similarity; (iii) scoring: scores each model's performance within each cluster; and (iv) voting: improve outputs via repeated sampling and voting. At inference time, each query is embedded and assigned to its nearest cluster. The top-performing model(s) within that cluster are selected to generate the response with repeated sampling. Remarkably, with 10 open-source models (~7B parameters each), the Avengers surpasses GPT-4o, 4.1, and 4.5 in average performance across 15 diverse datasets spanning mathematics, coding, logical reasoning, general knowledge, and affective tasks. In particular, it surpasses GPT-4.1 on mathematics tasks by 18.21% and on code tasks by 7.46%. Furthermore, the Avengers delivers superior out-of-distribution generalization, and remains robust across various embedding models, clustering algorithms, ensemble strategies, and values of its sole parameter -- the number of clusters.

cs.CL↗

arXiv2025

ReconMOST: Multi-Layer Sea Temperature Reconstruction with Observations-Guided Diffusion

Accurate reconstruction of ocean is essential for reflecting global climate dynamics and supporting marine meteorological research. Conventional methods face challenges due to sparse data, algorithmic complexity, and high computational costs, while increasing usage of machine learning (ML) method remains limited to reconstruction problems at the sea surface and local regions, struggling with issues like cloud occlusion. To address these limitations, this paper proposes ReconMOST, a data-driven guided diffusion model framework for multi-layer sea temperature reconstruction. Specifically, we first pre-train an unconditional diffusion model using a large collection of historical numerical simulation data, enabling the model to attain physically consistent distribution patterns of ocean temperature fields. During the generation phase, sparse yet high-accuracy in-situ observational data are utilized as guidance points for the reverse diffusion process, generating accurate reconstruction results. Importantly, in regions lacking direct observational data, the physically consistent spatial distribution patterns learned during pre-training enable implicitly guided and physically plausible reconstructions. Our method extends ML-based SST reconstruction to a global, multi-layer setting, handling over 92.5% missing data while maintaining reconstruction accuracy, spatial resolution, and superior generalization capability. We pre-train our model on CMIP6 numerical simulation data and conduct guided reconstruction experiments on CMIP6 and EN4 analysis data. The results of mean squared error (MSE) values achieve 0.049 on guidance, 0.680 on reconstruction, and 0.633 on total, respectively, demonstrating the effectiveness and robustness of the proposed framework. Our source code is available at https://github.com/norsheep/ReconMOST.

cs.CV↗

arXiv2025

Multi-agent Architecture Search via Agentic Supernet

Large Language Model (LLM)-empowered multi-agent systems extend the cognitive boundaries of individual agents through disciplined collaboration and interaction, while constructing these systems often requires labor-intensive manual designs. Despite the availability of methods to automate the design of agentic workflows, they typically seek to identify a static, complex, one-size-fits-all system, which, however, fails to dynamically allocate inference resources based on the difficulty and domain of each query. To address this challenge, we shift away from the pursuit of a monolithic agentic system, instead optimizing the \textbf{agentic supernet}, a probabilistic and continuous distribution of agentic architectures. We introduce MaAS, an automated framework that samples query-dependent agentic systems from the supernet, delivering high-quality solutions and tailored resource allocation (\textit{e.g.}, LLM calls, tool calls, token cost). Comprehensive evaluation across six benchmarks demonstrates that MaAS \textbf{(I)} requires only $6\sim45\%$ of the inference costs of existing handcrafted or automated multi-agent systems, \textbf{(II)} surpasses them by $0.54\%\sim11.82\%$, and \textbf{(III)} enjoys superior cross-dataset and cross-LLM-backbone transferability.

cs.LG↗

arXiv2025

A Comprehensive Survey in LLM(-Agent) Full Stack Safety: Data, Training and Deployment

The remarkable success of Large Language Models (LLMs) has illuminated a promising pathway toward achieving Artificial General Intelligence for both academic and industrial communities, owing to their unprecedented performance across various applications. As LLMs continue to gain prominence in both research and commercial domains, their security and safety implications have become a growing concern, not only for researchers and corporations but also for every nation. Currently, existing surveys on LLM safety primarily focus on specific stages of the LLM lifecycle, e.g., deployment phase or fine-tuning phase, lacking a comprehensive understanding of the entire "lifechain" of LLMs. To address this gap, this paper introduces, for the first time, the concept of "full-stack" safety to systematically consider safety issues throughout the entire process of LLM training, deployment, and eventual commercialization. Compared to the off-the-shelf LLM safety surveys, our work demonstrates several distinctive advantages: (I) Comprehensive Perspective. We define the complete LLM lifecycle as encompassing data preparation, pre-training, post-training, deployment and final commercialization. To our knowledge, this represents the first safety survey to encompass the entire lifecycle of LLMs. (II) Extensive Literature Support. Our research is grounded in an exhaustive review of over 800+ papers, ensuring comprehensive coverage and systematic organization of security issues within a more holistic understanding. (III) Unique Insights. Through systematic literature analysis, we have developed reliable roadmaps and perspectives for each chapter. Our work identifies promising research directions, including safety in data generation, alignment techniques, model editing, and LLM-based agent systems. These insights provide valuable guidance for researchers pursuing future work in this field.

cs.CR↗

arXiv2025

Native-Resolution Image Synthesis

We introduce native-resolution image synthesis, a novel generative modeling paradigm that enables the synthesis of images at arbitrary resolutions and aspect ratios. This approach overcomes the limitations of conventional fixed-resolution, square-image methods by natively handling variable-length visual tokens, a core challenge for traditional techniques. To this end, we introduce the Native-resolution diffusion Transformer (NiT), an architecture designed to explicitly model varying resolutions and aspect ratios within its denoising process. Free from the constraints of fixed formats, NiT learns intrinsic visual distributions from images spanning a broad range of resolutions and aspect ratios. Notably, a single NiT model simultaneously achieves the state-of-the-art performance on both ImageNet-256x256 and 512x512 benchmarks. Surprisingly, akin to the robust zero-shot capabilities seen in advanced large language models, NiT, trained solely on ImageNet, demonstrates excellent zero-shot generalization performance. It successfully generates high-fidelity images at previously unseen high resolutions (e.g., 1536 x 1536) and diverse aspect ratios (e.g., 16:9, 3:1, 4:3), as shown in Figure 1. These findings indicate the significant potential of native-resolution modeling as a bridge between visual generative modeling and advanced LLM methodologies.

cs.CV↗

arXiv2025

OmniCaptioner: One Captioner to Rule Them All

We propose OmniCaptioner, a versatile visual captioning framework for generating fine-grained textual descriptions across a wide variety of visual domains. Unlike prior methods limited to specific image types (e.g., natural images or geometric visuals), our framework provides a unified solution for captioning natural images, visual text (e.g., posters, UIs, textbooks), and structured visuals (e.g., documents, tables, charts). By converting low-level pixel information into semantically rich textual representations, our framework bridges the gap between visual and textual modalities. Our results highlight three key advantages: (i) Enhanced Visual Reasoning with LLMs, where long-context captions of visual modalities empower LLMs, particularly the DeepSeek-R1 series, to reason effectively in multimodal scenarios; (ii) Improved Image Generation, where detailed captions improve tasks like text-to-image generation and image transformation; and (iii) Efficient Supervised Fine-Tuning (SFT), which enables faster convergence with less data. We believe the versatility and adaptability of OmniCaptioner can offer a new perspective for bridging the gap between language and visual modalities.

cs.CV↗