arXiv subjects

Lei Bai

Publications and source records attributed to Lei Bai.

At least 145 records · Page 8Linked to original sources

arXiv2025

GauDP: Reinventing Multi-Agent Collaboration through Gaussian-Image Synergy in Diffusion Policies

Recently, effective coordination in embodied multi-agent systems has remained a fundamental challenge, particularly in scenarios where agents must balance individual perspectives with global environmental awareness. Existing approaches often struggle to balance fine-grained local control with comprehensive scene understanding, resulting in limited scalability and compromised collaboration quality. In this paper, we present GauDP, a novel Gaussian-image synergistic representation that facilitates scalable, perception-aware imitation learning in multi-agent collaborative systems. Specifically, GauDP constructs a globally consistent 3D Gaussian field from decentralized RGB observations, then dynamically redistributes 3D Gaussian attributes to each agent's local perspective. This enables all agents to adaptively query task-critical features from the shared scene representation while maintaining their individual viewpoints. This design facilitates both fine-grained control and globally coherent behavior without requiring additional sensing modalities (e.g., 3D point cloud). We evaluate GauDP on the RoboFactory benchmark, which includes diverse multi-arm manipulation tasks. Our method achieves superior performance over existing image-based methods and approaches the effectiveness of point-cloud-driven methods, while maintaining strong scalability as the number of agents increases.

cs.RO↗

arXiv2025

ODesign: A World Model for Biomolecular Interaction Design

Biomolecular interactions underpin almost all biological processes, and their rational design is central to programming new biological functions. Generative AI models have emerged as powerful tools for molecular design, yet most remain specialized for individual molecular types and lack fine-grained control over interaction details. Here we present ODesign, an all-atom generative world model for all-to-all biomolecular interaction design. ODesign allows scientists to specify epitopes on arbitrary targets and generate diverse classes of binding partners with fine-grained control. Across entity-, token-, and atom-level benchmarks in the protein modality, ODesign demonstrates superior controllability and performance to modality-specific baselines. Extending beyond proteins, it generalizes to nucleic acid and small-molecule design, enabling interaction types such as protein-binding RNA/DNA and RNA/DNA-binding ligands that were previously inaccessible. By unifying multimodal biomolecular interactions within a single generative framework, ODesign moves toward a general-purpose molecular world model capable of programmable design. ODesign is available at https://odesign.lglab.ac.cn ,

q-bio.BM↗

arXiv2025

LO-SDA: Latent Optimization for Score-based Atmospheric Data Assimilation

Data assimilation (DA) plays a pivotal role in numerical weather prediction by systematically integrating sparse observations with model forecasts to estimate optimal atmospheric initial condition for forthcoming forecasts. Traditional Bayesian DA methods adopt a Gaussian background prior as a practical compromise for the curse of dimensionality in atmospheric systems, that simplifies the nonlinear nature of atmospheric dynamics and can result in biased estimates. To address this limitation, we propose a novel generative DA method, LO-SDA. First, a variational autoencoder is trained to learn compact latent representations that disentangle complex atmospheric correlations. Within this latent space, a background-conditioned diffusion model is employed to directly learn the conditional distribution from data, thereby generalizing and removing assumptions in the Gaussian prior in traditional DA methods. Most importantly, we introduce latent optimization during the reverse process of the diffusion model to ensure strict consistency between the generated states and sparse observations. Idealized experiments demonstrate that LO-SDA not only outperforms score-based DA methods based on diffusion posterior sampling but also surpasses traditional DA approaches. To our knowledge, this is the first time that a diffusion-based DA method demonstrates the potential to outperform traditional approaches on high-dimensional global atmospheric systems. These findings suggest that long-standing reliance on Gaussian priors-a foundational assumption in operational atmospheric DA-may no longer be necessary in light of advances in generative modeling.

physics.ao-ph↗

arXiv2025

Latent Harmony: Synergistic Unified UHD Image Restoration via Latent Space Regularization and Controllable Refinement

Ultra-High Definition (UHD) image restoration faces a trade-off between computational efficiency and high-frequency detail retention. While Variational Autoencoders (VAEs) improve efficiency via latent-space processing, their Gaussian constraint often discards degradation-specific high-frequency information, hurting reconstruction fidelity. To overcome this, we propose Latent Harmony, a two-stage framework that redefines VAEs for UHD restoration by jointly regularizing the latent space and enforcing high-frequency-aware reconstruction.In Stage One, we introduce LH-VAE, which enhances semantic robustness through visual semantic constraints and progressive degradation perturbations, while latent equivariance strengthens high-frequency reconstruction.Stage Two jointly trains this refined VAE with a restoration model using High-Frequency Low-Rank Adaptation (HF-LoRA): an encoder LoRA guided by a fidelity-oriented high-frequency alignment loss to recover authentic details, and a decoder LoRA driven by a perception-oriented loss to synthesize realistic textures. Both LoRA modules are trained via alternating optimization with selective gradient propagation to preserve the pretrained latent structure.At inference, a tunable parameter α enables flexible fidelity-perception trade-offs.Experiments show Latent Harmony achieves state-of-the-art performance across UHD and standard-resolution tasks, effectively balancing efficiency, perceptual quality, and reconstruction accuracy.

cs.CV↗

arXiv2025

A Renaissance of Explicit Motion Information Mining from Transformers for Action Recognition

Recently, action recognition has been dominated by transformer-based methods, thanks to their spatiotemporal contextual aggregation capacities. However, despite the significant progress achieved on scene-related datasets, they do not perform well on motion-sensitive datasets due to the lack of elaborate motion modeling designs. Meanwhile, we observe that the widely-used cost volume in traditional action recognition is highly similar to the affinity matrix defined in self-attention, but equipped with powerful motion modeling capacities. In light of this, we propose to integrate those effective motion modeling properties into the existing transformer in a unified and neat way, with the proposal of the Explicit Motion Information Mining module (EMIM). In EMIM, we propose to construct the desirable affinity matrix in a cost volume style, where the set of key candidate tokens is sampled from the query-based neighboring area in the next frame in a sliding-window manner. Then, the constructed affinity matrix is used to aggregate contextual information for appearance modeling and is converted into motion features for motion modeling as well. We validate the motion modeling capacities of our method on four widely-used datasets, and our method performs better than existing state-of-the-art approaches, especially on motion-sensitive datasets, i.e., Something-Something V1 & V2. Our project is available at https://github.com/PeiqinZhuang/EMIM .

cs.CV↗

arXiv2025

Chem-R: Learning to Reason as a Chemist

Although large language models (LLMs) have significant potential to advance chemical discovery, current LLMs lack core chemical knowledge, produce unreliable reasoning trajectories, and exhibit suboptimal performance across diverse chemical tasks. To address these challenges, we propose Chem-R, a generalizable Chemical Reasoning model designed to emulate the deliberative processes of chemists. Chem-R is trained through a three-phase framework that progressively builds advanced reasoning capabilities, including: 1) Chemical Foundation Training, which establishes core chemical knowledge. 2) Chemical Reasoning Protocol Distillation, incorporating structured, expert-like reasoning traces to guide systematic and reliable problem solving. 3) Multi-task Group Relative Policy Optimization that optimizes the model for balanced performance across diverse molecular- and reaction-level tasks. This structured pipeline enables Chem-R to achieve state-of-the-art performance on comprehensive benchmarks, surpassing leading large language models, including Gemini-2.5-Pro and DeepSeek-R1, by up to 32% on molecular tasks and 48% on reaction tasks. Meanwhile, Chem-R also consistently outperforms the existing chemical foundation models across both molecular and reaction level tasks. These results highlight Chem-R's robust generalization, interpretability, and potential as a foundation for next-generation AI-driven chemical discovery. The code and model are available at https://github.com/davidweidawang/Chem-R.

cs.CE↗

arXiv2025

SynCast: Synergizing Contradictions in Precipitation Nowcasting via Diffusion Sequential Preference Optimization

Precipitation nowcasting based on radar echoes plays a crucial role in monitoring extreme weather and supporting disaster prevention. Although deep learning approaches have achieved significant progress, they still face notable limitations. For example, deterministic models tend to produce over-smoothed predictions, which struggle to capture extreme events and fine-scale precipitation patterns. Probabilistic generative models, due to their inherent randomness, often show fluctuating performance across different metrics and rarely achieve consistently optimal results. Furthermore, precipitation nowcasting is typically evaluated using multiple metrics, some of which are inherently conflicting. For instance, there is often a trade-off between the Critical Success Index (CSI) and the False Alarm Ratio (FAR), making it challenging for existing models to deliver forecasts that perform well on both metrics simultaneously. To address these challenges, we introduce preference optimization into precipitation nowcasting for the first time, motivated by the success of reinforcement learning from human feedback in large language models. Specifically, we propose SynCast, a method that employs the two-stage post-training framework of Diffusion Sequential Preference Optimization (Diffusion-SPO), to progressively align conflicting metrics and consistently achieve superior performance. In the first stage, the framework focuses on reducing FAR, training the model to effectively suppress false alarms. Building on this foundation, the second stage further optimizes CSI with constraints that preserve FAR alignment, thereby achieving synergistic improvements across these conflicting metrics.

cs.LG↗

arXiv2025

Beyond GPT-5: Making LLMs Cheaper and Better via Performance-Efficiency Optimized Routing

Balancing performance and efficiency is a central challenge in large language model (LLM) advancement. GPT-5 addresses this with test-time routing, dynamically assigning queries to either an efficient or a high-capacity model during inference. In this work, we present Avengers-Pro, a test-time routing framework that ensembles LLMs of varying capacities and efficiencies, providing a unified solution for all performance-efficiency tradeoffs. The Avengers-Pro embeds and clusters incoming queries, then routes each to the most suitable model based on a performance-efficiency score. Across 6 challenging benchmarks and 8 leading models -- including GPT-5-medium, Gemini-2.5-pro, and Claude-opus-4.1 -- Avengers-Pro achieves state-of-the-art results: by varying a performance-efficiency trade-off parameter, it can surpass the strongest single model (GPT-5-medium) by +7% in average accuracy. Moreover, it can match the average accuracy of the strongest single model at 27% lower cost, and reach ~90% of that performance at 63% lower cost. Last but not least, it achieves a Pareto frontier, consistently yielding the highest accuracy for any given cost, and the lowest cost for any given accuracy, among all single models. Code is available at https://github.com/ZhangYiqun018/AvengersPro.

cs.CL↗

arXiv2025

From AI for Science to Agentic Science: A Survey on Autonomous Scientific Discovery

Artificial intelligence (AI) is reshaping scientific discovery, evolving from specialized computational tools into autonomous research partners. We position Agentic Science as a pivotal stage within the broader AI for Science paradigm, where AI systems progress from partial assistance to full scientific agency. Enabled by large language models (LLMs), multimodal systems, and integrated research platforms, agentic AI shows capabilities in hypothesis generation, experimental design, execution, analysis, and iterative refinement -- behaviors once regarded as uniquely human. This survey provides a domain-oriented review of autonomous scientific discovery across life sciences, chemistry, materials science, and physics. We unify three previously fragmented perspectives -- process-oriented, autonomy-oriented, and mechanism-oriented -- through a comprehensive framework that connects foundational capabilities, core processes, and domain-specific realizations. Building on this framework, we (i) trace the evolution of AI for Science, (ii) identify five core capabilities underpinning scientific agency, (iii) model discovery as a dynamic four-stage workflow, (iv) review applications across the above domains, and (v) synthesize key challenges and future opportunities. This work establishes a domain-oriented synthesis of autonomous scientific discovery and positions Agentic Science as a structured paradigm for advancing AI-driven research.

cs.LG↗

arXiv2025

Scaling Physical Reasoning with the PHYSICS Dataset

Large Language Models (LLMs) have achieved remarkable progress on advanced reasoning tasks such as mathematics and coding competitions. Meanwhile, physics, despite being both reasoning-intensive and essential to real-world understanding, received limited academic and industrial attention. This paper introduces PHYSICS, a dataset containing 16,568 high-quality physics problems spanning subjects and difficulty levels, to facilitate this issue. Specifically, PHYSICS is curated with exercises from over 100 textbooks through a carefully designed pipeline for quality control. It covers five major physics domains: Mechanics, Electromagnetism, Thermodynamics, Optics, and Modern Physics. It also spans a wide range of difficulty levels, from high school to graduate-level physics courses. To utilize the data for improving and evaluating the model's physical reasoning capabilities, we split the dataset into training and test sets, and provide reasoning paths generated by powerful reasoning models for the training data to facilitate model training. In addition, for the evaluation part, we find that existing evaluation frameworks exhibit biases in aspects such as units, simplification, and precision in physics domain. To balance efficiency and accuracy, we introduce a Rule+Model evaluation framework tailored to physics problems. Our evaluations on current state-of-the-art open-source and proprietary models highlight the limitations of current models in handling physics-related tasks. We hope that our dataset and evaluation methodology will jointly advance the development of LLMs in the field of physics. The code and data can be found at: https://github.com/Zhengsh123/PHYSICS.

cs.CL↗

arXiv2025

Breaking the Compression Ceiling: Data-Free Pipeline for Ultra-Efficient Delta Compression

With the rise of the fine-tuned-pretrained paradigm, storing numerous fine-tuned models for multi-tasking creates significant storage overhead. Delta compression alleviates this by storing only the pretrained model and the highly compressed delta weights (the differences between fine-tuned and pretrained model weights). However, existing methods fail to maintain both high compression and performance, and often rely on data. To address these challenges, we propose UltraDelta, the first data-free delta compression pipeline that achieves both ultra-high compression and strong performance. UltraDelta is designed to minimize redundancy, maximize information, and stabilize performance across inter-layer, intra-layer, and global dimensions, using three key components: (1) Variance-Based Mixed Sparsity Allocation assigns sparsity based on variance, giving lower sparsity to high-variance layers to preserve inter-layer information. (2) Distribution-Aware Compression applies uniform quantization and then groups parameters by value, followed by group-wise pruning, to better preserve intra-layer distribution. (3) Trace-Norm-Guided Rescaling uses the trace norm of delta weights to estimate a global rescaling factor, improving model stability under higher compression. Extensive experiments across (a) large language models (fine-tuned on LLaMA-2 7B and 13B) with up to 50x compression, (b) general NLP models (RoBERTa-base, T5-base) with up to 224x compression, (c) vision models (ViT-B/32, ViT-L/14) with up to 132x compression, and (d) multi-modal models (BEiT-3) with 18x compression, demonstrate that UltraDelta consistently outperforms existing methods, especially under ultra-high compression. Code is available at https://github.com/xiaohuiwang000/UltraDelta.

cs.LG↗

arXiv2025

DAWP: A framework for global observation forecasting via Data Assimilation and Weather Prediction in satellite observation space

Weather prediction is a critical task for human society, where impressive progress has been made by training artificial intelligence weather prediction (AIWP) methods with reanalysis data. However, reliance on reanalysis data limits the AIWPs with shortcomings, including data assimilation biases and temporal discrepancies. To liberate AIWPs from the reanalysis data, observation forecasting emerges as a transformative paradigm for weather prediction. One of the key challenges in observation forecasting is learning spatiotemporal dynamics across disparate measurement systems with irregular high-resolution observation data, which constrains the design and prediction of AIWPs. To this end, we propose our DAWP as an innovative framework to enable AIWPs to operate in a complete observation space by initialization with an artificial intelligence data assimilation (AIDA) module. Specifically, our AIDA module applies a mask multi-modality autoencoder(MMAE)for assimilating irregular satellite observation tokens encoded by mask ViT-VAEs. For AIWP, we introduce a spatiotemporal decoupling transformer with cross-regional boundary conditioning (CBC), learning the dynamics in observation space, to enable sub-image-based global observation forecasting. Comprehensive experiments demonstrate that AIDA initialization significantly improves the roll out and efficiency of AIWP. Additionally, we show that DAWP holds promising potential to be applied in global precipitation forecasting.

cs.LG↗

arXiv2025

DualResearch: Entropy-Gated Dual-Graph Retrieval for Answer Reconstruction

The deep-research framework orchestrates external tools to perform complex, multi-step scientific reasoning that exceeds the native limits of a single large language model. However, it still suffers from context pollution, weak evidentiary support, and brittle execution paths. To address these issues, we propose DualResearch, a retrieval and fusion framework that matches the epistemic structure of tool-intensive reasoning by jointly modeling two complementary graphs: a breadth semantic graph that encodes stable background knowledge, and a depth causal graph that captures execution provenance. Each graph has a layer-native relevance function, seed-anchored semantic diffusion for breadth, and causal-semantic path matching with reliability weighting for depth. To reconcile their heterogeneity and query-dependent uncertainty, DualResearch converts per-layer path evidence into answer distributions and fuses them in log space via an entropy-gated rule with global calibration. The fusion up-weights the more certain channel and amplifies agreement. As a complement to deep-research systems, DualResearch compresses lengthy multi-tool execution logs into a concise reasoning graph, and we show that it can reconstruct answers stably and effectively. On the scientific reasoning benchmarks HLE and GPQA, DualResearch achieves competitive performance. Using log files from the open-source system InternAgent, its accuracy improves by 7.7% on HLE and 6.06% on GPQA.

cs.AI↗

arXiv2025

AutoMLGen: Navigating Fine-Grained Optimization for Coding Agents

Large language models (LLMs) have shown impressive performance in general programming tasks. However, in Machine Learning Engineering (MLE) scenarios such as AutoML and Kaggle competitions, achieving high performance depends heavily on expert intervention and repeated adjustments rather than simply generating correct code. When applied directly to these tasks, LLMs often lack fine-grained domain priors, and existing MLE approaches that use linear or tree-structured searches limit knowledge transfer to adjacent hierarchical links. As a result, they cannot leverage past full trajectories or share information across branches, limiting self-evolving ability and search space diversity. To address these limitations, we introduce AutoMLGen, an LLM-based coding agent that integrates a domain knowledge base for high-quality prior guidance and Monte Carlo Graph Search (MCGS) for efficient exploration. MCGS retains the tree-guided exploration of MCTS while embedding a graph structure into the expansion stage to enable dynamic path reorganization, historical trajectory reuse, and multi-solution fusion to support both self-evolution and collaborative learning. Combined with fine-grained operator sets, this design improves stability and accelerates convergence. Evaluation on the MLE-Bench shows that AutoMLGen achieves state-of-the-art performance in numerous dimensions, such as the average medal rate and the valid submission rate, under a 12-hour budget (half the standard runtime). The code is available at https://github.com/Alpha-Innovator/InternAgent.

cs.AI↗

arXiv2025

The Path of Self-Evolving Large Language Models: Achieving Data-Efficient Learning via Intrinsic Feedback

Reinforcement learning (RL) has demonstrated potential in enhancing the reasoning capabilities of large language models (LLMs), but such training typically demands substantial efforts in creating and annotating data. In this work, we explore improving LLMs through RL with minimal data. Our approach alternates between the LLM proposing a task and then attempting to solve it. To minimize data dependency, we introduce two novel mechanisms grounded in self-awareness: (1) self-aware difficulty prediction, where the model learns to assess task difficulty relative to its own abilities and prioritize challenging yet solvable tasks, and (2) self-aware limit breaking, where the model recognizes when a task is beyond its capability boundary and proactively requests external data to break through that limit. Extensive experiments on nine benchmarks showing a 53.8% relative improvement with less than 1.2% extra data demonstrate the efficacy of self-aware RL and underscore the promise of self-evolving agent training.

cs.CL↗

arXiv2025

Learning Compact Representations of LLM Abilities via Item Response Theory

Recent years have witnessed a surge in the number of large language models (LLMs), yet efficiently managing and utilizing these vast resources remains a significant challenge. In this work, we explore how to learn compact representations of LLM abilities that can facilitate downstream tasks, such as model routing and performance prediction on new benchmarks. We frame this problem as estimating the probability that a given model will correctly answer a specific query. Inspired by the item response theory (IRT) in psychometrics, we model this probability as a function of three key factors: (i) the model's multi-skill ability vector, (2) the query's discrimination vector that separates models of differing skills, and (3) the query's difficulty scalar. To learn these parameters jointly, we introduce a Mixture-of-Experts (MoE) network that couples model- and query-level embeddings. Extensive experiments demonstrate that our approach leads to state-of-the-art performance in both model routing and benchmark accuracy prediction. Moreover, analysis validates that the learned parameters encode meaningful, interpretable information about model capabilities and query characteristics.

cs.AI↗

arXiv2025

MinerU2.5: A Decoupled Vision-Language Model for Efficient High-Resolution Document Parsing

We introduce MinerU2.5, a 1.2B-parameter document parsing vision-language model that achieves state-of-the-art recognition accuracy while maintaining exceptional computational efficiency. Our approach employs a coarse-to-fine, two-stage parsing strategy that decouples global layout analysis from local content recognition. In the first stage, the model performs efficient layout analysis on downsampled images to identify structural elements, circumventing the computational overhead of processing high-resolution inputs. In the second stage, guided by the global layout, it performs targeted content recognition on native-resolution crops extracted from the original image, preserving fine-grained details in dense text, complex formulas, and tables. To support this strategy, we developed a comprehensive data engine that generates diverse, large-scale training corpora for both pretraining and fine-tuning. Ultimately, MinerU2.5 demonstrates strong document parsing ability, achieving state-of-the-art performance on multiple benchmarks, surpassing both general-purpose and domain-specific models across various recognition tasks, while maintaining significantly lower computational overhead.

cs.CV↗

arXiv2025

LatentEvolve: Self-Evolving Test-Time Scaling in Latent Space

Test-time Scaling (TTS) has been demonstrated to significantly enhance the reasoning capabilities of Large Language Models (LLMs) during the inference phase without altering model parameters. However, existing TTS methods are largely independent, implying that LLMs have not yet evolved to progressively learn how to scale more effectively. With the objective of evolving LLMs to learn ``how to scale test-time computation,'' we propose LatentEvolve, a self-evolving latent TTS framework inspired by the complementary learning system (CLS) theory. Analogous to the human brain's dual system of a fast-recall hippocampus and a slow-consolidating neocortex, LatentEvolve comprises two evolutionary components: \textit{daytime scaling}, which rapidly retrieves historical latent representations to better guide current LLM reasoning; and \textit{nighttime scaling}, which integrates past latent optimizations in a manner akin to the human brain's consolidation of experiences during sleep. The alternation of daytime and nighttime processes facilitates a fast and slow evolution of LLM TTS, mirroring human cognitive dynamics in a fully unsupervised manner. Extensive experiments across eight benchmarks and five model backbones demonstrate that our LatentEvolve surpasses state-of-the-art TTS methods such as LatentSeek and TTRL by up to $13.33\%$ and exhibits exceptional cross-domain and cross-backbone generalization.

cs.CL↗