Linfeng Zhang

Shuqi Lu, Zhifeng Gao, Di He et al. · microsoft-research

Recent developments in deep learning have made remarkable progress in speeding up the prediction of quantum chemical (QC) properties by removing the need for expensive electronic structure calculations like density functional theory. However, previous methods learned from 1D SMILES sequences or 2D molecular graphs failed to achieve high accuracy as QC properties primarily depend on the 3D equilibrium conformations optimized by electronic structure methods, far different from the sequence-type and graph-type data. In this paper, we propose a novel approach called Uni-Mol+ to tackle this challenge. Uni-Mol+ first generates a raw 3D molecule conformation from inexpensive methods such as RDKit. Then, the raw conformation is iteratively updated to its target DFT equilibrium conformation using neural networks, and the learned conformation will be used to predict the QC properties. To effectively learn this update process towards the equilibrium conformation, we introduce a two-track Transformer model backbone and train it with the QC property prediction task. We also design a novel approach to guide the model's training process. Our extensive benchmarking results demonstrate that the proposed Uni-Mol+ significantly improves the accuracy of QC property prediction in various datasets. We have made the code and model publicly available at \url{https://github.com/dptech-corp/Uni-Mol}.

Xinhao Song, Su Su, Sirui Song et al.

Multimodal agents are increasingly expected to operate interfaces on behalf of users, raising a central deployment question: can they truly substitute for humans in workflows that services deliberately protect against automation? CAPTCHA verification makes this question concrete. It is not merely a visual puzzle, but a human-verification boundary placed before account creation, content access, form submission, and other protected actions. We introduce \textbf{Humanity's Last Line of Verification (HLL)}, a controlled benchmark that uses interactive CAPTCHA verification to evaluate whether agents can cross this boundary through grounded, human-like interaction rather than recognition alone. HLL covers diverse CAPTCHA interactions and exposes agents to controlled realism stressors, including cluttered webpages, harder task variants, and trace-conditioned validation of the solving process. We evaluate eight frontier multimodal agents in a closed-loop GUI environment. The results show that current agents remain brittle at this human-substitution boundary: performance varies sharply across verification types, degrades under realistic interface conditions, and drops further when correct answers must be supported by valid action traces. By exposing gaps in localization, action calibration, state tracking, and process consistency, HLL provides a concrete testbed for measuring how close multimodal agents are to acting as human substitutes in protected real-world workflows. Our code is available at https://github.com/XinhaoS0101/HLL

Yuhang Han, Wenzheng Yang, Yujie Chen et al.

Vision-language-model-based graphical user interface (GUI) agents have shown broad automation capabilities, yet deployment is bottlenecked by a key-value (KV) cache that grows linearly with interaction steps. For instance, UI-TARS-1.5-7B consumes 76 GB of GPU memory on merely five screenshots, approaching the capacity of mainstream 80 GB accelerators. Existing KV compression methods share two structural assumptions: aggregating visual-token importance into a single shared saliency map, and applying a fixed top-B cutoff to the fused score distribution. Pilot measurements refute both: spatial specialization lives at the attention-subspace level and migrates across layers, while the score distribution drifts in shape along a trajectory. We propose STaR-KV (Spatio-Temporal Adaptive Re-weighting), a training-free KV cache compression framework that calibrates token importance along three axes: (i) subspace-aware scoring driven by online spatial mutual information; (ii) a temporal stability discount that suppresses redundant cache entries from persistently attended subspaces; and (iii) an entropy-derived temperature that adaptively reshapes the score distribution. Across four GUI benchmarks, STaR-KV achieves the strongest average accuracy among state-of-the-art KV compression methods (e.g., GUIKV, SnapKV) at matched budgets, with no compression-stage FLOPs overhead (-0.07%) and cutting peak GPU memory by nearly 40% at a 20% KV-cache budget. Code is available at https://github.com/kawhiiiileo/STaR-KV.

Runpei Dong, Zekun Qi, Linfeng Zhang et al.

The success of deep learning heavily relies on large-scale data with comprehensive labels, which is more expensive and time-consuming to fetch in 3D compared to 2D images or natural languages. This promotes the potential of utilizing models pretrained with data more than 3D as teachers for cross-modal knowledge transferring. In this paper, we revisit masked modeling in a unified fashion of knowledge distillation, and we show that foundational Transformers pretrained with 2D images or natural languages can help self-supervised 3D representation learning through training Autoencoders as Cross-Modal Teachers (ACT). The pretrained Transformers are transferred as cross-modal 3D teachers using discrete variational autoencoding self-supervision, during which the Transformers are frozen with prompt tuning for better knowledge inheritance. The latent features encoded by the 3D teachers are used as the target of masked point modeling, wherein the dark knowledge is distilled to the 3D Transformer students as foundational geometry understanding. Our ACT pretrained 3D learner achieves state-of-the-art generalization capacity across various downstream benchmarks, e.g., 88.21% overall accuracy on ScanObjectNN. Codes have been released at https://github.com/RunpeiDong/ACT.

Linfeng Zhang, Runpei Dong, Hung-Shuo Tai et al.

The remarkable breakthroughs in point cloud representation learning have boosted their usage in real-world applications such as self-driving cars and virtual reality. However, these applications usually have an urgent requirement for not only accurate but also efficient 3D object detection. Recently, knowledge distillation has been proposed as an effective model compression technique, which transfers the knowledge from an over-parameterized teacher to a lightweight student and achieves consistent effectiveness in 2D vision. However, due to point clouds' sparsity and irregularity, directly applying previous image-based knowledge distillation methods to point cloud detectors usually leads to unsatisfactory performance. To fill the gap, this paper proposes PointDistiller, a structured knowledge distillation framework for point clouds-based 3D detection. Concretely, PointDistiller includes local distillation which extracts and distills the local geometric structure of point clouds with dynamic graph convolution and reweighted learning strategy, which highlights student learning on the crucial points or voxels to improve knowledge distillation efficiency. Extensive experiments on both voxels-based and raw points-based detectors have demonstrated the effectiveness of our method over seven previous knowledge distillation methods. For instance, our 4X compressed PointPillars student achieves 2.8 and 3.4 mAP improvements on BEV and 3D object detection, outperforming its teacher by 0.9 and 1.8 mAP, respectively. Codes have been released at https://github.com/RunpeiDong/PointDistiller.

Tianchen Zhao, Xuefei Ning, Ke Hong et al. · tsinghua

Voxel-based methods have achieved state-of-the-art performance for 3D object detection in autonomous driving. However, their significant computational and memory costs pose a challenge for their application to resource-constrained vehicles. One reason for this high resource consumption is the presence of a large number of redundant background points in Lidar point clouds, resulting in spatial redundancy in both 3D voxel and dense BEV map representations. To address this issue, we propose an adaptive inference framework called Ada3D, which focuses on exploiting the input-level spatial redundancy. Ada3D adaptively filters the redundant input, guided by a lightweight importance predictor and the unique properties of the Lidar point cloud. Additionally, we utilize the BEV features' intrinsic sparsity by introducing the Sparsity Preserving Batch Normalization. With Ada3D, we achieve 40% reduction for 3D voxels and decrease the density of 2D BEV feature maps from 100% to 20% without sacrificing accuracy. Ada3D reduces the model computational and memory cost by 5x, and achieves 1.52x/1.45x end-to-end GPU latency and 1.5x/4.5x GPU peak memory optimization for the 3D and 2D backbone respectively.

Shaobo Wang, Guo Chen, Ziyue Wang et al.

With the rapid progress of large language models (LLMs), reliably evaluating the capabilities of pre-trained LLMs has become increasingly important. The challenge is that base pre-trained models are optimized for next-token prediction and often fail to follow instructions or produce well-formed answers under standard prompting and direct decoding. As a result, benchmark performance can conflate model capability with decoding-induced failures to produce task-oriented outputs, while exposing such behavior often relies on costly post-training. Recent decodingonly approaches attempt to reshape output distributions, but such methods can be inefficient and brittle across open-ended tasks. To address these limitations, we propose Energy-Based Decoding (EBD), a training-free, reward-guided framework for activating task-oriented behaviors from frozen pre-trained LLMs across both open-ended and objective tasks. EBD augments decoding with an external lightweight reward model, steering generations toward high-utility responses while anchoring them to the pre-trained model prior through a reward-tilted target distribution. We show that EBD shifts base-model outputs toward more instructionfollowing behavior, increasing behavioral similarity to post-trained counterparts and enabling a fairer inference-time evaluation of accessible pre-trained-model behavior. Empirically, EBD outperforms baselines across five models and six benchmarks, improving Qwen3-8B-Base on AlpacaEval2.0 from 8.8 to 44.5, reducing Mistral-7B Math500 latency by 18.9x relative to prior decoding work, and remaining robust to reward-model size.

Wenfei Li, Qi Ou, Yixiao Chen et al.

Recently, the development of machine learning (ML) potentials has made it possible to perform large-scale and long-time molecular simulations with the accuracy of quantum mechanical (QM) models. However, for high-level QM methods, such as density functional theory (DFT) at the meta-GGA level and/or with exact exchange, quantum Monte Carlo, etc., generating a sufficient amount of data for training a ML potential has remained computationally challenging due to their high cost. In this work, we demonstrate that this issue can be largely alleviated with Deep Kohn-Sham (DeePKS), a ML-based DFT model. DeePKS employs a computationally efficient neural network-based functional model to construct a correction term added upon a cheap DFT model. Upon training, DeePKS offers closely-matched energies and forces compared with high-level QM method, but the number of training data required is orders of magnitude less than that required for training a reliable ML potential. As such, DeePKS can serve as a bridge between expensive QM models and ML potentials: one can generate a decent amount of high-accuracy QM data to train a DeePKS model, and then use the DeePKS model to label a much larger amount of configurations to train a ML potential. This scheme for periodic systems is implemented in a DFT package ABACUS, which is open-source and ready for use in various applications.

Zhifeng Gao, Xiaohong Ji, Guojiang Zhao et al. · microsoft-research

Recently deep learning based quantitative structure-activity relationship (QSAR) models has shown surpassing performance than traditional methods for property prediction tasks in drug discovery. However, most DL based QSAR models are restricted to limited labeled data to achieve better performance, and also are sensitive to model scale and hyper-parameters. In this paper, we propose Uni-QSAR, a powerful Auto-ML tool for molecule property prediction tasks. Uni-QSAR combines molecular representation learning (MRL) of 1D sequential tokens, 2D topology graphs, and 3D conformers with pretraining models to leverage rich representation from large-scale unlabeled data. Without any manual fine-tuning or model selection, Uni-QSAR outperforms SOTA in 21/22 tasks of the Therapeutic Data Commons (TDC) benchmark under designed parallel workflow, with an average performance improvement of 6.09\%. Furthermore, we demonstrate the practical usefulness of Uni-QSAR in drug discovery domains.

Duo Zhang, Hangrui Bi, Fu-Zhi Dai et al.

Machine learning assisted modeling of the inter-atomic potential energy surface (PES) is revolutionizing the field of molecular simulation. With the accumulation of high-quality electronic structure data, a model that can be pretrained on all available data and finetuned on downstream tasks with a small additional effort would bring the field to a new stage. Here we propose DPA-1, a Deep Potential model with a novel attention mechanism, which is highly effective for representing the conformation and chemical spaces of atomic systems and learning the PES. We tested DPA-1 on a number of systems and observed superior performance compared with existing benchmarks. When pretrained on large-scale datasets containing 56 elements, DPA-1 can be successfully applied to various downstream tasks with a great improvement of sample efficiency. Surprisingly, for different elements, the learned type embedding parameters form a $spiral$ in the latent space and have a natural correspondence with their positions on the periodic table, showing interesting interpretability of the pretrained DPA-1 model.

Xinyu Zhu, Yuzhu Cai, Zexi Liu et al.

The convergence of large language models and agents is catalyzing a new era of scientific discovery: Agentic Science. While the scientific method is inherently iterative, existing agent frameworks are predominantly static, narrowly scoped, and lack the capacity to learn from trial and error. To bridge this gap, we present EvoMaster, a foundational evolving agent framework engineered specifically for Agentic Science at Scale. Driven by the core principle of continuous self-evolution, EvoMaster empowers agents to iteratively refine hypotheses, self-critique, and progressively accumulate knowledge across experimental cycles, faithfully mirroring human scientific inquiry. Crucially, as a domain-agnostic base harness, EvoMaster is exceptionally easy to scale up -- enabling developers to build and deploy highly capable, self-evolving scientific agents for arbitrary disciplines in approximately 100 lines of code. Built upon EvoMaster, we incubated the SciMaster ecosystem across domains such as machine learning, physics, and general science. Evaluations on four authoritative benchmarks (Humanity's Last Exam, MLE-Bench Lite, BrowseComp, and FrontierScience) demonstrate that EvoMaster achieves state-of-the-art scores of 41.1%, 75.8%, 73.3%, and 53.3%, respectively. It comprehensively outperforms the general-purpose baseline OpenClaw with relative improvements ranging from +159% to +316%, robustly validating its efficacy and generality as the premier foundational framework for the next generation of autonomous scientific discovery. EvoMaster is available at https://github.com/sjtu-sai-agents/EvoMaster.

Yujie Chen, Tailai Chen, Yifeng Gao et al.

Prefilling computational costs pose a significant bottleneck for Large Language Models (LLMs) and Large Multimodal Models (LMMs) in long-context settings. While token pruning reduces sequence length, prior methods rely on heuristics that break compatibility with hardware-efficient kernels like FlashAttention. In this work, we observe that tokens evolve toward \textit{semantic fixing points}, making further processing redundant. To this end, we introduce Delta Attention Selective Halting (DASH), a training-free policy that monitors the layer-wise update dynamics of the self-attention mechanism to selectively halt stabilized tokens. Extensive evaluation confirms that DASH generalizes across language and vision benchmarks, delivering significant prefill speedups while preserving model accuracy and hardware efficiency. Code will be released at https://github.com/verach3n/DASH.git.

Yuan Chen, Zichen Wen, Yuzhou Wu et al.

Multimodal Large Language Models (MLLMs) deliver strong vision-language performance but at high computational cost, driven by numerous visual tokens processed by the Vision Transformer (ViT) encoder. Existing token pruning strategies are inadequate: LLM-stage token pruning overlooks the ViT's overhead, while conventional ViT token pruning, without language guidance, risks discarding textually critical visual cues and introduces feature distortions amplified by the ViT's bidirectional attention. To meet these challenges, we propose IPCV, a training-free, information-preserving compression framework for MLLM visual encoders. IPCV enables aggressive token pruning inside the ViT via Neighbor-Guided Reconstruction (NGR) that temporarily reconstructs pruned tokens to participate in attention with minimal overhead, then fully restores them before passing to the LLM. Besides, we introduce Attention Stabilization (AS) to further alleviate the negative influence from token pruning by approximating the K/V of pruned tokens. It can be directly applied to previous LLM-side token pruning methods to enhance their performance. Extensive experiments show that IPCV substantially reduces end-to-end computation and outperforms state-of-the-art training-free token compression methods across diverse image and video benchmarks. Our code is available at https://github.com/Perkzi/IPCV.

Linfeng Zhang, Xin Chen, Xiaobing Tu et al.

Remarkable achievements have been attained with Generative Adversarial Networks (GANs) in image-to-image translation. However, due to a tremendous amount of parameters, state-of-the-art GANs usually suffer from low efficiency and bulky memory usage. To tackle this challenge, firstly, this paper investigates GANs performance from a frequency perspective. The results show that GANs, especially small GANs lack the ability to generate high-quality high frequency information. To address this problem, we propose a novel knowledge distillation method referred to as wavelet knowledge distillation. Instead of directly distilling the generated images of teachers, wavelet knowledge distillation first decomposes the images into different frequency bands with discrete wavelet transformation and then only distills the high frequency bands. As a result, the student GAN can pay more attention to its learning on high frequency bands. Experiments demonstrate that our method leads to 7.08 times compression and 6.80 times acceleration on CycleGAN with almost no performance drop. Additionally, we have studied the relation between discriminators and generators which shows that the compression of discriminators can promote the performance of compressed generators.

Hao Xie, Zi-Hang Li, Han Wang et al.

We developed a deep generative model-based variational free energy approach to the equations of state of dense hydrogen. We employ a normalizing flow network to model the proton Boltzmann distribution and a fermionic neural network to model the electron wave function at given proton positions. By jointly optimizing the two neural networks we reached a comparable variational free energy to the previous coupled electron-ion Monte Carlo calculation. The predicted equation of state of dense hydrogen under planetary conditions is denser than the findings of ab initio molecular dynamics calculation and empirical chemical model. Moreover, direct access to the entropy and free energy of dense hydrogen opens new opportunities in planetary modeling and high-pressure physics research.

Linfeng Zhang, Xin Chen, Junbo Zhang et al.

The success of deep learning is usually accompanied by the growth in neural network depth. However, the traditional training method only supervises the neural network at its last layer and propagates the supervision layer-by-layer, which leads to hardship in optimizing the intermediate layers. Recently, deep supervision has been proposed to add auxiliary classifiers to the intermediate layers of deep neural networks. By optimizing these auxiliary classifiers with the supervised task loss, the supervision can be applied to the shallow layers directly. However, deep supervision conflicts with the well-known observation that the shallow layers learn low-level features instead of task-biased high-level semantic features. To address this issue, this paper proposes a novel training framework named Contrastive Deep Supervision, which supervises the intermediate layers with augmentation-based contrastive learning. Experimental results on nine popular datasets with eleven models demonstrate its effects on general image classification, fine-grained image classification and object detection in supervised learning, semi-supervised learning and knowledge distillation. Codes have been released in Github.

Junlong Ke, Zichen Wen, Boxue Yang et al.

Native unified multimodal models, which integrate both generative and understanding capabilities, face substantial computational overhead that hinders their real-world deployment. Existing acceleration techniques typically employ a static, monolithic strategy, ignoring the fundamental divergence in computational profiles between iterative generation tasks (e.g., image generation) and single-pass understanding tasks (e.g., VQA). In this work, we present the first systematic analysis of unified models, revealing pronounced parameter specialization, where distinct neuron sets are critical for each task. This implies that, at the parameter level, unified models have implicitly internalized separate inference pathways for generation and understanding within a single architecture. Based on these insights, we introduce a training-free and task-aware acceleration framework, FlashU, that tailors optimization to each task's demands. Across both tasks, we introduce Task-Specific Network Pruning and Dynamic Layer Skipping, aiming to eliminate inter-layer and task-specific redundancy. For visual generation, we implement a time-varying control signal for the guidance scale and a temporal approximation for the diffusion head via Diffusion Head Cache. For multimodal understanding, building upon the pruned model, we introduce Dynamic Token Pruning via a V-Norm Proxy to exploit the spatial redundancy of visual inputs. Extensive experiments on Show-o2 demonstrate that FlashU achieves 1.78$\times$ to 2.01$\times$ inference acceleration across both understanding and generation tasks while maintaining SOTA performance, outperforming competing unified models and validating our task-aware acceleration paradigm. Our code is publicly available at https://github.com/Rirayh/FlashU.

Dongrui Liu, Yu Li, Zhonghao Yang et al.

Modern open-world agents such as OpenClaw exhibit powerful cross-environment execution capabilities yet introduce broad new safety risk sources. Meanwhile, advanced frontier AI models drastically lower attack barriers, rendering current agent alignment frameworks inadequate for real-world deployment. To tackle these emerging threats, we propose a lightweight and scalable agent safety alignment framework. Specifically, we update the agent safety taxonomy to accommodate emergent risks from Codex and OpenClaw execution scenarios. We further build a taxonomy-guided data engine with influence-function purification to train lightweight AgentDoG 1.5 variants (0.8B, 2B, 4B, and 8B parameters) using only around 1k samples, achieving comparable performance with leading closed-source models (e.g., GPT-5.4). Based on AgentDoG 1.5, we construct a highly efficient agentic safety SFT and RL training environment, which reduces deployment overhead in Docker-level environments by two orders of magnitude. Finally, we deploy AgentDoG 1.5 as a training-free online guardrail for real-time safety moderation. Extensive experimental results indicate that AgentDoG 1.5 achieves state-of-the-art performance in diverse and complex interactive agentic scenarios. All models and datasets are openly released.

Mingwei Ye, Jiaxi Zhuang, Mingjun Xu et al.

Natural Language to MongoDB Query Language (NL2MQL) is essential for democratizing access to modern document-centric databases. Unlike Text-to-SQL, NL2MQL faces unique challenges from MQL's procedural aggregation pipelines, deeply nested schemas, and ambiguous value grounding. Existing approaches use static prompting or one-shot refinement, which inadequately model these complex contexts and fail to systematically leverage execution feedback for persistent improvement. We propose EvoMQL, a self-evolved framework that unifies evidence-grounded context construction with execution-driven learning through iterative Draft-Refine-Optimize (DRO) cycles. Each cycle uses draft queries to trigger query-aware retrieval, dynamically building compact evidence contexts that resolve schema ambiguities and ground nested paths to concrete values. The model then undergoes online policy optimization with execution-based rewards and curriculum scheduling, with refined models feeding back into subsequent cycles for progressive evolution. Overall, EvoMQL achieves state-of-the-art execution accuracy of 76.6% on the EAI in-distribution benchmark and 83.1% on the TEND out-of-distribution benchmark, outperforming the strongest open-source baselines by up to 9.5% and 5.2%, respectively. With only 3B activated parameters, this closed-loop paradigm enables scalable, continuous improvement of NL2MQL systems in production.

Jianuo Huang, Yaojie Zhang, Qituan Zhang et al.

Speculative decoding accelerates LLM inference by drafting multiple tokens and verifying them in parallel with the target model. However, its practical speedup is constrained by the trade-off between draft quality and drafting cost: autoregressive drafters model causal dependencies among draft tokens but incur sequential overhead, while parallel drafters reduce drafting cost but weaken intra-block dependency modeling. In this paper, we propose Domino, a speculative decoding framework that decouples causal dependency modeling from expensive autoregressive draft execution. Domino first uses a parallel draft backbone to produce preliminary draft distributions for the entire block, and then applies a lightweight Domino head to refine them with prefix-dependent causal information. To stabilize teacher-forced causal encoding, we further introduce a base-anchored training curriculum that first strengthens the parallel backbone and then gradually shifts optimization toward the causally corrected final distribution. Experiments on Qwen3 models show that Domino achieves up to \(5.49\times\) end-to-end speedup under the Transformers backend and up to \(5.8\times\) throughput speedup under SGLang serving.

Linfeng Zhang, Xin Chen, Runpei Dong et al.

Recent progress in image-to-image translation has witnessed the success of generative adversarial networks (GANs). However, GANs usually contain a huge number of parameters, which lead to intolerant memory and computation consumption and limit their deployment on edge devices. To address this issue, knowledge distillation is proposed to transfer the knowledge from a cumbersome teacher model to an efficient student model. However, most previous knowledge distillation methods are designed for image classification and lead to limited performance in image-to-image translation. In this paper, we propose Region-aware Knowledge Distillation ReKo to compress image-to-image translation models. Firstly, ReKo adaptively finds the crucial regions in the images with an attention module. Then, patch-wise contrastive learning is adopted to maximize the mutual information between students and teachers in these crucial regions. Experiments with eight comparison methods on nine datasets demonstrate the substantial effectiveness of ReKo on both paired and unpaired image-to-image translation. For instance, our 7.08X compressed and 6.80X accelerated CycleGAN student outperforms its teacher by 1.33 and 1.04 FID scores on Horse to Zebra and Zebra to Horse, respectively. Codes will be released on GitHub.

Sihang Li, Jin Huang, Jiaxi Zhuang et al.

Scientific literature understanding is crucial for extracting targeted information and garnering insights, thereby significantly advancing scientific discovery. Despite the remarkable success of Large Language Models (LLMs), they face challenges in scientific literature understanding, primarily due to (1) a lack of scientific knowledge and (2) unfamiliarity with specialized scientific tasks. To develop an LLM specialized in scientific literature understanding, we propose a hybrid strategy that integrates continual pre-training (CPT) and supervised fine-tuning (SFT), to simultaneously infuse scientific domain knowledge and enhance instruction-following capabilities for domain-specific tasks.cIn this process, we identify two key challenges: (1) constructing high-quality CPT corpora, and (2) generating diverse SFT instructions. We address these challenges through a meticulous pipeline, including PDF text extraction, parsing content error correction, quality filtering, and synthetic instruction creation. Applying this strategy, we present a suite of LLMs: SciLitLLM, specialized in scientific literature understanding. These models demonstrate promising performance on scientific literature understanding benchmarks. Our contributions are threefold: (1) We present an effective framework that integrates CPT and SFT to adapt LLMs to scientific literature understanding, which can also be easily adapted to other domains. (2) We propose an LLM-based synthesis method to generate diverse and high-quality scientific instructions, resulting in a new instruction set -- SciLitIns -- for supervised fine-tuning in less-represented scientific domains. (3) SciLitLLM achieves promising performance improvements on scientific literature understanding benchmarks.

Linfeng Zhang, Yukang Shi, Hung-Shuo Tai et al.

Detecting 3D objects from multi-view images is a fundamental problem in 3D computer vision. Recently, significant breakthrough has been made in multi-view 3D detection tasks. However, the unprecedented detection performance of these vision BEV (bird's-eye-view) detection models is accompanied with enormous parameters and computation, which make them unaffordable on edge devices. To address this problem, in this paper, we propose a structured knowledge distillation framework, aiming to improve the efficiency of modern vision-only BEV detection models. The proposed framework mainly includes: (a) spatial-temporal distillation which distills teacher knowledge of information fusion from different timestamps and views, (b) BEV response distillation which distills teacher response to different pillars, and (c) weight-inheriting which solves the problem of inconsistent inputs between students and teacher in modern transformer architectures. Experimental results show that our method leads to an average improvement of 2.16 mAP and 2.27 NDS on the nuScenes benchmark, outperforming multiple baselines by a large margin.

Feihong Yan, Shaoyu Liu, Haixuan Wang et al.

Visual Autoregressive (VAR) models have emerged as a strong alternative to diffusion for image synthesis, yet their fixed training resolution prevents direct generation at higher resolutions. Naively transferring training-free extrapolation methods from LLMs or diffusion models to VAR yields three characteristic failure modes: global repetition, local repetition, and detail degradation. We trace them to a unified band-stage mismatch: VAR generates images in a coarse-to-fine, scale-wise process where each stage is driven by a distinct dominant RoPE frequency band, and each failure mode emerges when the dominant band of a particular stage is disrupted. Building on this insight, we propose Stage-Aware RoPE Remapping, a training-free strategy that assigns each frequency band a stage-specific remapping rule, jointly suppressing all three failure modes. We further observe that attention becomes systematically dispersed as the image resolution increases. Existing methods typically depend on predefined attention scaling factors, which are neither adaptive to the target resolution nor capable of faithfully capturing the actual extent of attention dispersion. We therefore propose Entropy-Driven Adaptive Attention Calibration, which quantifies dispersion via a resolution-invariant normalized entropy and yields a closed-form per-head scaling factor that realigns the extrapolated-resolution attention entropy with its training-resolution counterpart. Extensive experiments show that our method consistently outperforms prior resolution-extrapolation methods in both structural coherence and fine-detail fidelity. Our code is available at https://github.com/feihongyan1/ExtraVAR.

Zichen Wen, Boxue Yang, Shuang Chen et al.

We present Innovator-VL, a scientific multimodal large language model designed to advance understanding and reasoning across diverse scientific domains while maintaining excellent performance on general vision tasks. Contrary to the trend of relying on massive domain-specific pretraining and opaque pipelines, our work demonstrates that principled training design and transparent methodology can yield strong scientific intelligence with substantially reduced data requirements. (i) First, we provide a fully transparent, end-to-end reproducible training pipeline, covering data collection, cleaning, preprocessing, supervised fine-tuning, reinforcement learning, and evaluation, along with detailed optimization recipes. This facilitates systematic extension by the community. (ii) Second, Innovator-VL exhibits remarkable data efficiency, achieving competitive performance on various scientific tasks using fewer than five million curated samples without large-scale pretraining. These results highlight that effective reasoning can be achieved through principled data selection rather than indiscriminate scaling. (iii) Third, Innovator-VL demonstrates strong generalization, achieving competitive performance on general vision, multimodal reasoning, and scientific benchmarks. This indicates that scientific alignment can be integrated into a unified model without compromising general-purpose capabilities. Our practices suggest that efficient, reproducible, and high-performing scientific multimodal models can be built even without large-scale data, providing a practical foundation for future research.

Zexuan Yan, Jiarui Jin, Yue Ma et al.

Despite recent advances in generative models driving significant progress in text rendering, accurately generating complex text and mathematical formulas remains a formidable challenge. This difficulty primarily stems from the limited instruction-following capabilities of current models when encountering out-of-distribution prompts. To address this, we introduce GlyphBanana, alongside a corresponding benchmark specifically designed for rendering complex characters and formulas. GlyphBanana employs an agentic workflow that integrates auxiliary tools to inject glyph templates into both the latent space and attention maps, facilitating the iterative refinement of generated images. Notably, our training-free approach can be seamlessly applied to various Text-to-Image (T2I) models, achieving superior precision compared to existing baselines. Extensive experiments demonstrate the effectiveness of our proposed workflow. Associated code is publicly available at https://github.com/yuriYanZeXuan/GlyphBanana.

Shaobo Wang, Yantai Yang, Qilong Wang et al.

Dataset Distillation (DD) aims to synthesize a small dataset capable of performing comparably to the original dataset. Despite the success of numerous DD methods, theoretical exploration of this area remains unaddressed. In this paper, we take an initial step towards understanding various matching-based DD methods from the perspective of sample difficulty. We begin by empirically examining sample difficulty, measured by gradient norm, and observe that different matching-based methods roughly correspond to specific difficulty tendencies. We then extend the neural scaling laws of data pruning to DD to theoretically explain these matching-based methods. Our findings suggest that prioritizing the synthesis of easier samples from the original dataset can enhance the quality of distilled datasets, especially in low IPC (image-per-class) settings. Based on our empirical observations and theoretical analysis, we introduce the Sample Difficulty Correction (SDC) approach, designed to predominantly generate easier samples to achieve higher dataset quality. Our SDC can be seamlessly integrated into existing methods as a plugin with minimal code adjustments. Experimental results demonstrate that adding SDC generates higher-quality distilled datasets across 7 distillation methods and 6 datasets.

Xinyu Zhu, Yuzhu Cai, Zexi Liu et al.

The advancement of artificial intelligence toward agentic science is currently bottlenecked by the challenge of ultra-long-horizon autonomy, the ability to sustain strategic coherence and iterative correction over experimental cycles spanning days or weeks. While Large Language Models (LLMs) have demonstrated prowess in short-horizon reasoning, they are easily overwhelmed by execution details in the high-dimensional, delayed-feedback environments of real-world research, failing to consolidate sparse feedback into coherent long-term guidance. Here, we present ML-Master 2.0, an autonomous agent that masters ultra-long-horizon machine learning engineering (MLE) which is a representative microcosm of scientific discovery. By reframing context management as a process of cognitive accumulation, our approach introduces Hierarchical Cognitive Caching (HCC), a multi-tiered architecture inspired by computer systems that enables the structural differentiation of experience over time. By dynamically distilling transient execution traces into stable knowledge and cross-task wisdom, HCC allows agents to decouple immediate execution from long-term experimental strategy, effectively overcoming the scaling limits of static context windows. In evaluations on OpenAI's MLE-Bench under 24-hour budgets, ML-Master 2.0 achieves a state-of-the-art medal rate of 56.44%. Our findings demonstrate that ultra-long-horizon autonomy provides a scalable blueprint for AI capable of autonomous exploration beyond human-precedent complexities.

Yulang Chen, Haoxuan Peng, Jinyan Liu et al.

Large Language Model-based Multi-Agent Systems (MAS) have demonstrated remarkable capabilities in complex tasks. However, manually designing optimal communication topologies is labor-intensive, while automated expansion methods often result in bloated structures with redundant agents, leading to excessive token consumption. To address this problem, we introduce \textbf{AgentSlimming}, a plug-and-play compression framework for graph-structured multi-agent workflows. Motivated by pruning and quantization in neural networks, AgentSlimming compresses workflows by first estimating the importance score of each agent with a hybrid mechanism, and then removes redundant agents or replaces them with low-cost ones, where each operation is validated using a baseline-anchored acceptance rule to prevent performance collapse. Experiments show that AgentSlimming reduces average token cost by up to 78.9\% with negligible performance degradation, and sometimes even improves accuracy, achieving a strong Pareto-optimal trade-off between cost and quality. \textit{Our code is publicly available at https://github.com/CitrusYL/AgentSlimming

Yi Wang, Zhenting Huang, Zhaohan Ding et al.

Open-source scientific software is abundant, yet most tools remain difficult to compile, configure, and reuse, sustaining a small-workshop mode of scientific computing. This deployment bottleneck limits reproducibility, large-scale evaluation, and the practical integration of scientific tools into modern AI-for-Science (AI4S) and agentic workflows. We present Deploy-Master, a one-stop agentic workflow for large-scale tool discovery, build specification inference, execution-based validation, and publication. Guided by a taxonomy spanning 90+ scientific and engineering domains, our discovery stage starts from a recall-oriented pool of over 500,000 public repositories and progressively filters it to 52,550 executable tool candidates under license- and quality-aware criteria. Deploy-Master transforms heterogeneous open-source repositories into runnable, containerized capabilities grounded in execution rather than documentation claims. In a single day, we performed 52,550 build attempts and constructed reproducible runtime environments for 50,112 scientific tools. Each successful tool is validated by a minimal executable command and registered in SciencePedia for search and reuse, enabling direct human use and optional agent-based invocation. Beyond delivering runnable tools, we report a deployment trace at the scale of 50,000 tools, characterizing throughput, cost profiles, failure surfaces, and specification uncertainty that become visible only at scale. These results explain why scientific software remains difficult to operationalize and motivate shared, observable execution substrates as a foundation for scalable AI4S and agentic science.

Zhengbo Jiao, Shaobo Wang, Zifan Zhang et al.

Multimodal Large Language Models (MLLMs) have significantly advanced vision-language understanding. However, even state-of-the-art models struggle with geometric reasoning, revealing a critical bottleneck: the extreme scarcity of high-quality image-text pairs. Human annotation is prohibitively expensive, while automated methods fail to ensure fidelity and training effectiveness. Existing approaches either passively adapt to available images or employ inefficient random exploration with filtering, decoupling generation from learning needs. We propose Socratic-Geo, a fully autonomous framework that dynamically couples data synthesis with model learning through multi-agent interaction. The Teacher agent generates parameterized Python scripts with reflective feedback (Reflect for solvability, RePI for visual validity), ensuring image-text pair purity. The Solver agent optimizes reasoning through preference learning, with failure paths guiding Teacher's targeted augmentation. Independently, the Generator learns image generation capabilities on accumulated "image-code-instruction" triplets, distilling programmatic drawing intelligence into visual generation. Starting from only 108 seed problems, Socratic-Solver achieves 49.11 on six benchmarks using one-quarter of baseline data, surpassing strong baselines by 2.43 points. Socratic-Generator achieves 42.4% on GenExam, establishing new state-of-the-art for open-source models, surpassing Seedream-4.0 (39.8%) and approaching Gemini-2.5-Flash-Image (43.1%).

Muzhou Yu, Sia Huat Tan, Kailu Wu et al.

Knowledge distillation conducts an effective model compression method while holding some limitations:(1) the feature based distillation methods only focus on distilling the feature map but are lack of transferring the relation of data examples; (2) the relational distillation methods are either limited to the handcrafted functions for relation extraction, such as L2 norm, or weak in inter- and intra- class relation modeling. Besides, the feature divergence of heterogeneous teacher-student architectures may lead to inaccurate relational knowledge transferring. In this work, we propose a novel training framework named Class-Oriented Relational Self Distillation (CORSD) to address the limitations. The trainable relation networks are designed to extract relation of structured data input, and they enable the whole model to better classify samples by transferring the relational knowledge from the deepest layer of the model to shallow layers. Besides, auxiliary classifiers are proposed to make relation networks capture class-oriented relation that benefits classification task. Experiments demonstrate that CORSD achieves remarkable improvements. Compared to baseline, 3.8%, 1.5% and 4.5% averaged accuracy boost can be observed on CIFAR100, ImageNet and CUB-200-2011, respectively.

Yutang Ge, Guojiang Zhao, Sihang Li et al.

Designing proteins that satisfy natural language functional requirements is a central goal in protein engineering. A straightforward baseline is to fine-tune generic instruction-tuned LLMs as direct text-to-sequence generators, but this is data- and compute-hungry. With limited supervision, LLMs can produce coherent plans in text yet fail to reliably realize them as sequences. This plan-execute gap motivates ProtoCycle, an agentic framework for protein design that uses LLMs primarily to drive a multi-round, feedback-driven decision cycle. ProtoCycle couples an LLM planner with a lightweight tool environment designed to emulate the iterative workflow of human protein engineering and uses LLM-driven reflection on tool feedback to revise plans. Trained with supervised trajectories and online reinforcement learning, ProtoCycle achieves strong language alignment while maintaining competitive foldability, and ablations show that reflection substantially improves sequence quality.

Tingjia Miao, Wenkai Jin, Muhua Zhang et al.

The paradigm of agentic science requires AI systems to conduct robust reasoning and engage in long-horizon, autonomous exploration. However, current scientific benchmarks remain confined to domain knowledge comprehension and complex reasoning, failing to evaluate the exploratory nature and procedural complexity of real-world research. In this work, we present research-oriented evaluations in theoretical and computational physics, a natural testbed with comprehensive domain knowledge, complex reasoning, and verifiable end-to-end workflows without reliance on experiments. Here we introduce PRL-Bench (Physics Research by LLMs), a benchmark designed to systematically map the capability boundaries of LLMs in executing end-to-end physics research. Constructed from 100 curated papers from the latest issues of Physical Review Letters since August 2025 and validated by domain experts, PRL-Bench covers five major theory- and computation-intensive subfields of modern physics: astrophysics, condensed matter physics, high-energy physics, quantum information, and statistical physics. Each task in the benchmark is designed to replicate the core properties of authentic scientific research, including exploration-oriented formulation, long-horizon workflows, and objective verifiability, thereby reconstructing the essential reasoning processes and research workflows of real physics research. Evaluation across frontier models shows that performance remains limited, with the best overall score below 50, revealing a pronounced gap between current LLM capabilities and the demands of real scientific research. PRL-Bench serves a reliable testbed for accessing next generation AI scientists advancing AI systems toward autonomous scientific discovery.

Zhanghao Zhouyin, Zixi Gan, MingKang Liu et al.

Predicting quantum operator matrices such as Hamiltonian, overlap, and density matrices in the density functional theory (DFT) framework is crucial for material science. Current methods often focus on individual operators and struggle with efficiency and scalability for large systems. Here we introduce a novel deep learning model, SLEM (strictly localized equivariant message-passing) for predicting multiple quantum operators, that achieves state-of-the-art accuracy while dramatically improving computational efficiency. SLEM's key innovation is its strict locality-based design for equivariant representations of quantum tensors while preserving physical symmetries. This enables complex many-body dependency without expanding the effective receptive field, leading to superior data efficiency and transferability. Using an innovative SO(2) convolution and invariant overlap parameterization, SLEM reduces the computational complexity of high-order tensor products and is therefore capable of handling systems requiring the $f$ and $g$ orbitals in their basis sets. We demonstrate SLEM's capabilities across diverse 2D and 3D materials, achieving high accuracy even with limited training data. SLEM's design facilitates efficient parallelization, potentially extending DFT simulations to systems with device-level sizes, opening new possibilities for large-scale quantum simulations and high-throughput materials discovery.

Shaobo Wang, Xuan Ouyang, Tianyi Xu et al.

As high-quality public text approaches exhaustion, a phenomenon known as the Data Wall, pre-training is shifting from more tokens to better tokens. However, existing methods either rely on heuristic static filters that ignore training dynamics, or use dynamic yet optimizer-agnostic criteria based on raw gradients. We propose OPUS (Optimizer-induced Projected Utility Selection), a dynamic data selection framework that defines utility in the optimizer-induced update space. OPUS scores candidates by projecting their effective updates, shaped by modern optimizers, onto a target direction derived from a stable, in-distribution proxy. To ensure scalability, we employ Ghost technique with CountSketch for computational efficiency, and Boltzmann sampling for data diversity, incurring only 4.7\% additional compute overhead. OPUS achieves remarkable results across diverse corpora, quality tiers, optimizers, and model scales. In pre-training of GPT-2 Large/XL on FineWeb and FineWeb-Edu with 30B tokens, OPUS outperforms industrial-level baselines and even full 200B-token training. Moreover, when combined with industrial-level static filters, OPUS further improves pre-training efficiency, even with lower-quality data. Furthermore, in continued pre-training of Qwen3-8B-Base on SciencePedia, OPUS achieves superior performance using only 0.5B tokens compared to full training with 3B tokens, demonstrating significant data efficiency gains in specialized domains.

Hengxing Cai, Xiaochen Cai, Junhan Chang et al.

Recent breakthroughs in Large Language Models (LLMs) have revolutionized scientific literature analysis. However, existing benchmarks fail to adequately evaluate the proficiency of LLMs in this domain, particularly in scenarios requiring higher-level abilities beyond mere memorization and the handling of multimodal data. In response to this gap, we introduce SciAssess, a benchmark specifically designed for the comprehensive evaluation of LLMs in scientific literature analysis. It aims to thoroughly assess the efficacy of LLMs by evaluating their capabilities in Memorization (L1), Comprehension (L2), and Analysis \& Reasoning (L3). It encompasses a variety of tasks drawn from diverse scientific fields, including biology, chemistry, material, and medicine. To ensure the reliability of SciAssess, rigorous quality control measures have been implemented, ensuring accuracy, anonymization, and compliance with copyright standards. SciAssess evaluates 11 LLMs, highlighting their strengths and areas for improvement. We hope this evaluation supports the ongoing development of LLM applications in scientific literature analysis. SciAssess and its resources are available at \url{https://github.com/sci-assess/SciAssess}.

Zichen Wen, Yifeng Gao, Shaobo Wang et al.

Vision tokens in multimodal large language models often dominate huge computational overhead due to their excessive length compared to linguistic modality. Abundant recent methods aim to solve this problem with token pruning, which first defines an importance criterion for tokens and then prunes the unimportant vision tokens during inference. However, in this paper, we show that the importance is not an ideal indicator to decide whether a token should be pruned. Surprisingly, it usually results in inferior performance than random token pruning and leading to incompatibility to efficient attention computation operators.Instead, we propose DART (Duplication-Aware Reduction of Tokens), which prunes tokens based on its duplication with other tokens, leading to significant and training-free acceleration. Concretely, DART selects a small subset of pivot tokens and then retains the tokens with low duplication to the pivots, ensuring minimal information loss during token pruning. Experiments demonstrate that DART can prune 88.9% vision tokens while maintaining comparable performance, leading to a 1.99$\times$ and 2.99$\times$ speed-up in total time and prefilling stage, respectively, with good compatibility to efficient attention operators. Our codes are available at https://github.com/ZichenWen1/DART.

Renzhao Liang, Jingru Chen, Bo Jia et al.

Evaluating large language models (LLMs) is increasingly confounded by \emph{variant contamination}: the training corpus contains semantically equivalent yet lexically or syntactically altered versions of test items. Unlike verbatim leakage, these paraphrased or structurally transformed variants evade existing detectors based on sampling consistency or perplexity, thereby inflating benchmark scores via memorization rather than genuine reasoning. We formalize this problem and introduce \textbf{DVD} (\textbf{D}etection via \textbf{V}ariance of generation \textbf{D}istribution), a single-sample detector that models the local output distribution induced by temperature sampling. Our key insight is that contaminated items trigger alternation between a \emph{memory-adherence} state and a \emph{perturbation-drift} state, yielding abnormally high variance in the synthetic difficulty of low-probability tokens; uncontaminated items remain in drift with comparatively smooth variance. We construct the first benchmark for variant contamination across two domains Omni-MATH and SuperGPQA by generating and filtering semantically equivalent variants, and simulate contamination via fine-tuning models of different scales and architectures (Qwen2.5 and Llama3.1). Across datasets and models, \textbf{DVD} consistently outperforms perplexity-based, Min-$k$\%++, edit-distance (CDD), and embedding-similarity baselines, while exhibiting strong robustness to hyperparameters. Our results establish variance of the generation distribution as a principled and practical fingerprint for detecting variant contamination in LLM evaluation.

Yuanhuiyi Lyu, Kaiyu Lei, Ziqiao Weng et al.

Reasoning-based text-to-image (T2I) generation requires models to interpret complex prompts accurately. Existing reasoning frameworks can be broadly categorized into two types: (1) Text-Only Reasoning, which is computationally efficient but lacks access to visual context, often resulting in the omission of critical spatial and visual elements; and (2) Text-Image Interleaved Reasoning, which leverages a T2I generator to provide visual references during the reasoning process. While this approach enhances visual grounding, it incurs substantial computational costs and constrains the reasoning capacity of MLLMs to the representational limitations of the generator. To this end, we propose StruVis, a novel framework that enhances T2I generation through Thinking with Structured Vision. Instead of relying on intermediate image generation, StruVis employs text-based structured visual representations as intermediate reasoning states, thereby enabling the MLLM to effectively "perceive" visual structure within a purely text-based reasoning process. Powered by this, the reasoning potential for T2I generation of the MLLM is unlocked through structured-vision-guided reasoning. Additionally, as a generator-agnostic reasoning framework, our proposed StruVis can be seamlessly integrated with diverse T2I generators and efficiently enhance their performance in reasoning-based T2I generation. Extensive experiments demonstrate that StruVis achieves significant performance improvements on reasoning-based T2I benchmarks, e.g., a 4.61% gain on T2I-ReasonBench and a 4% gain on WISE.

Yue Ma, Zhikai Wang, Tianhao Ren et al.

Video motion transfer aims to synthesize videos by generating visual content according to a text prompt while transferring the motion pattern observed in a reference video. Recent methods predominantly use the Diffusion Transformer (DiT) architecture. To achieve satisfactory runtime, several methods attempt to accelerate the computations in the DiT, but fail to address structural sources of inefficiency. In this work, we identify and remove two types of computational redundancy in earlier work: motion redundancy arises because the generic DiT architecture does not reflect the fact that frame-to-frame motion is small and smooth; gradient redundancy occurs if one ignores that gradients change slowly along the diffusion trajectory. To mitigate motion redundancy, we mask the corresponding attention layers to a local neighborhood such that interaction weights are not computed unnecessarily distant image regions. To exploit gradient redundancy, we design an optimization scheme that reuses gradients from previous diffusion steps and skips unwarranted gradient computations. On average, FastVMT achieves a 3.43x speedup without degrading the visual fidelity or the temporal consistency of the generated videos.

Dongrui Liu, Qihan Ren, Chen Qian et al.

The rise of AI agents introduces complex safety and security challenges arising from autonomous tool use and environmental interactions. Current guardrail models lack agentic risk awareness and transparency in risk diagnosis. To introduce an agentic guardrail that covers complex and numerous risky behaviors, we first propose a unified three-dimensional taxonomy that orthogonally categorizes agentic risks by their source (where), failure mode (how), and consequence (what). Guided by this structured and hierarchical taxonomy, we introduce a new fine-grained agentic safety benchmark (ATBench) and a Diagnostic Guardrail framework for agent safety and security (AgentDoG). AgentDoG provides fine-grained and contextual monitoring across agent trajectories. More Crucially, AgentDoG can diagnose the root causes of unsafe actions and seemingly safe but unreasonable actions, offering provenance and transparency beyond binary labels to facilitate effective agent alignment. AgentDoG variants are available in three sizes (4B, 7B, and 8B parameters) across Qwen and Llama model families. Extensive experimental results demonstrate that AgentDoG achieves state-of-the-art performance in agentic safety moderation in diverse and complex interactive scenarios. All models and datasets are openly released.

Jie Zhang, Dongrui Liu, Chen Qian et al.

Protecting the intellectual property of open-source Large Language Models (LLMs) is very important, because training LLMs costs extensive computational resources and data. Therefore, model owners and third parties need to identify whether a suspect model is a subsequent development of the victim model. To this end, we propose a training-free REEF to identify the relationship between the suspect and victim models from the perspective of LLMs' feature representations. Specifically, REEF computes and compares the centered kernel alignment similarity between the representations of a suspect model and a victim model on the same samples. This training-free REEF does not impair the model's general capabilities and is robust to sequential fine-tuning, pruning, model merging, and permutations. In this way, REEF provides a simple and effective way for third parties and models' owners to protect LLMs' intellectual property together. The code is available at https://github.com/tmylla/REEF.

Ting Liu, Liangtao Shi, Richang Hong et al.

The vision tokens in multimodal large language models usually exhibit significant spatial and temporal redundancy and take up most of the input tokens, which harms their inference efficiency. To solve this problem, some recent works were introduced to drop the unimportant tokens during inference where the importance of each token is decided only by the information in either the vision encoding stage or the prefilling stage. In this paper, we propose Multi-stage Token Dropping (MustDrop) to measure the importance of each token from the whole lifecycle, including the vision encoding stage, prefilling stage, and decoding stage. Concretely, in the visual encoding stage, MustDrop merges spatially adjacent tokens with high similarity, and establishes a key token set to retain the most vision-critical tokens, preventing them from being discarded in later stages. In the prefilling stage, MustDrop further compresses vision tokens by the guidance of text semantics, with a dual-attention filtering strategy. In the decoding stage, an output-aware cache policy is proposed to further reduce the size of the KV cache. By leveraging tailored strategies in the multi-stage process, MustDrop can more precisely recognize the important and redundant tokens, thus achieving an optimal balance between performance and efficiency. For instance, MustDrop reduces about 88.5\% FLOPs on LLaVA with a compression ratio of 92.2\% while maintaining comparable accuracy. Our codes are available at \url{https://github.com/liuting20/MustDrop}.

Shuang Cheng, Yuhua Jiang, Zineng Zhou et al.

Block-wise discrete diffusion offers an attractive balance between parallel generation and causal dependency modeling, making it a promising backbone for vision-language modeling. However, its practical adoption has been limited by high training cost, slow convergence, and instability, which have so far kept it behind strong autoregressive (AR) baselines. We present \textbf{SDAR-VL}, the first systematic application of block-wise discrete diffusion to large-scale vision-language understanding (VLU), together with an \emph{integrated framework for efficient and stable training}. This framework unifies three components: (1) \textbf{Asynchronous Block-wise Noise Scheduling} to diversify supervision within each batch; (2) \textbf{Effective Mask Ratio Scaling} for unbiased loss normalization under stochastic masking; and (3) a \textbf{Progressive Beta Noise Curriculum} that increases effective mask coverage while preserving corruption diversity. Experiments on 21 single-image, multi-image, and video benchmarks show that SDAR-VL consistently improves \emph{training efficiency}, \emph{convergence stability}, and \emph{task performance} over conventional block diffusion. On this evaluation suite, SDAR-VL sets a new state of the art among diffusion-based vision-language models and, under matched settings, matches or surpasses strong AR baselines such as LLaVA-OneVision as well as the global diffusion baseline LLaDA-V, establishing block-wise diffusion as a practical backbone for VLU.

Jiacheng Liu, Chang Zou, Yuanhuiyi Lyu et al.

Diffusion Transformers (DiT) have revolutionized high-fidelity image and video synthesis, yet their computational demands remain prohibitive for real-time applications. To solve this problem, feature caching has been proposed to accelerate diffusion models by caching the features in the previous timesteps and then reusing them in the following timesteps. However, at timesteps with significant intervals, the feature similarity in diffusion models decreases substantially, leading to a pronounced increase in errors introduced by feature caching, significantly harming the generation quality. To solve this problem, we propose TaylorSeer, which firstly shows that features of diffusion models at future timesteps can be predicted based on their values at previous timesteps. Based on the fact that features change slowly and continuously across timesteps, TaylorSeer employs a differential method to approximate the higher-order derivatives of features and predict features in future timesteps with Taylor series expansion. Extensive experiments demonstrate its significant effectiveness in both image and video synthesis, especially in high acceleration ratios. For instance, it achieves an almost lossless acceleration of 4.99$\times$ on FLUX and 5.00$\times$ on HunyuanVideo without additional training. On DiT, it achieves $3.41$ lower FID compared with previous SOTA at $4.53$$\times$ acceleration. %Our code is provided in the supplementary materials and will be made publicly available on GitHub. Our codes have been released in Github:https://github.com/Shenyi-Z/TaylorSeer

Linfeng Zhang, Taoyong Cui, Dongzhan Zhou et al.

Long-range electrostatic and polarization interactions play a central role in molecular and condensed-phase systems, yet remain fundamentally incompatible with locality-based machine-learning interatomic potentials. Although modern SO(3)-equivariant neural potentials achieve high accuracy for short-range chemistry, they cannot represent the anisotropic, slowly decaying multipolar correlations governing realistic materials, while existing long-range extensions either break SO(3) equivariance or fail to maintain energy-force consistency. Here we introduce EquiEwald, a unified neural interatomic potential that embeds an Ewald-inspired reciprocal-space formulation within an irreducible SO(3)-equivariant framework. By performing equivariant message passing in reciprocal space through learned equivariant k-space filters and an equivariant inverse transform, EquiEwald captures anisotropic, tensorial long-range correlations without sacrificing physical consistency. Across periodic and aperiodic benchmarks, EquiEwald captures long-range electrostatic behavior consistent with ab initio reference data and consistently improves energy and force accuracy, data efficiency, and long-range extrapolation. These results establish EquiEwald as a physically principled paradigm for long-range-capable machine-learning interatomic potentials.

Evelyn Zhang, Fufu Yu, Aoqi Wu et al.

Processing long visual token sequences poses a significant computational burden on Multimodal Large Language Models (MLLMs). While token pruning offers a path to acceleration, we find that current methods, while adequate for general understanding, catastrophically fail on fine-grained localization tasks. We attribute this failure to the inherent flaws of the two prevailing strategies: importance-based methods suffer from a strong positional bias, an inherent model artifact that distracts from semantic content, while diversity-based methods exhibit structural blindness, disregarding the user's prompt and spatial redundancy. To address this, we introduce D2Pruner, a framework that rectifies these issues by uniquely combining debiased importance with a structural pruning mechanism. Our method first secures a core set of the most critical tokens as pivots based on a debiased attention score. It then performs a Maximal Independent Set (MIS) selection on the remaining tokens, which are modeled on a hybrid graph where edges signify spatial proximity and semantic similarity. This process iteratively preserves the most important and available token while removing its neighbors, ensuring that the supplementary tokens are chosen to maximize importance and diversity. Extensive experiments demonstrate that D2Pruner has exceptional efficiency and fidelity. Applied to LLaVA-1.5-7B for general understanding tasks, it reduces FLOPs by 74.2\% while retaining 99.2\% of its original performance. Furthermore, in challenging localization benchmarks with InternVL-2.5-8B, it maintains 85.7\% performance at a 90\% token reduction rate, marking a significant advancement with up to 63. 53\% improvement over existing methods.

Zexuan Yan, Yue Ma, Chang Zou et al.

Inversion-based image editing is rapidly gaining momentum while suffering from significant computation overhead, hindering its application in real-time interactive scenarios. In this paper, we rethink that the redundancy in inversion-based image editing exists in both the spatial and temporal dimensions, such as the unnecessary computation in unedited regions and the redundancy in the inversion progress. To tackle these challenges, we propose a practical framework, named EEdit, to achieve efficient image editing. Specifically, we introduce three techniques to solve them one by one. For spatial redundancy, spatial locality caching is introduced to compute the edited region and its neighboring regions while skipping the unedited regions, and token indexing preprocessing is designed to further accelerate the caching. For temporal redundancy, inversion step skipping is proposed to reuse the latent for efficient editing. Our experiments demonstrate an average of 2.46 $\times$ acceleration without performance drop in a wide range of editing tasks including prompt-guided image editing, dragging and image composition. Our codes are available at https://github.com/yuriYanZeXuan/EEdit

Jingyi Chai, Shuo Tang, Rui Ye et al.

The rapid advancements of AI agents have ignited the long-held ambition of leveraging them to accelerate scientific discovery. Achieving this goal requires a deep understanding of the frontiers of human knowledge. As such, Humanity's Last Exam (HLE) provides an exceptionally challenging touchstone for evaluating scientific AI agents. In this work, we aim to construct the foundational architecture for general-purpose agents and validate the capabilities through leading performance on HLE. To achieve this, we introduce X-Master, a tool-augmented reasoning agent designed to emulate human researchers by interacting flexibly with external tools during its reasoning process. This agent, guided by the conceptualization of code as an interaction language, can flexibly leverage built-in Python libraries and our customized tools to augment the reasoning. We further scale its capabilities through X-Masters, a scattered-and-stacked agentic workflow that systematically enhances breadth and depth of reasoning. Our open-source solution, X-Masters, sets a new state-of-the-art record on HLE with a score of 32.1%, surpassing OpenAI's and Google's Deep Research (26.6% and 26.9%) and becoming the first to exceed the 30% threshold. This work allows us to gain a deeper understanding of complex task-solving and accumulates valuable experience that can inform future advancements, guiding subsequent model training.