RxnBench: A Multimodal Benchmark for Evaluating Large Language Models on Chemical Reaction Understanding from Scientific Literature

The integration of Multimodal Large Language Models (MLLMs) into chemistry promises to revolutionize scientific discovery, yet their ability to comprehend the dense, graphical language of reactions within authentic literature remains underexplored. Here, we introduce RxnBench, a multi-tiered benchmark designed to rigorously evaluate MLLMs on chemical reaction understanding from scientific PDFs. RxnBench comprises two tasks: Single-Figure QA (SF-QA), which tests fine-grained visual perception and mechanistic reasoning using 1,525 questions derived from 305 curated reaction schemes, and Full-Document QA (FD-QA), which challenges models to synthesize information from 108 articles, requiring cross-modal integration of text, schemes, and tables. Our evaluation of MLLMs reveals a critical capability gap: while models excel at extracting explicit text, they struggle with deep chemical logic and precise structural recognition. Notably, models with inference-time reasoning significantly outperform standard architectures, yet none achieve 50\% accuracy on FD-QA. These findings underscore the urgent need for domain-specific visual encoders and stronger reasoning engines to advance autonomous AI chemists.

Bohrium + SciMaster: Building the Infrastructure and Ecosystem for Agentic Science at Scale

AI agents are emerging as a practical way to run multi-step scientific workflows that interleave reasoning with tool use and verification, pointing to a shift from isolated AI-assisted steps toward \emph{agentic science at scale}. This shift is increasingly feasible, as scientific tools and models can be invoked through stable interfaces and verified with recorded execution traces, and increasingly necessary, as AI accelerates scientific output and stresses the peer-review and publication pipeline, raising the bar for traceability and credible evaluation. However, scaling agentic science remains difficult: workflows are hard to observe and reproduce; many tools and laboratory systems are not agent-ready; execution is hard to trace and govern; and prototype AI Scientist systems are often bespoke, limiting reuse and systematic improvement from real workflow signals. We argue that scaling agentic science requires an infrastructure-and-ecosystem approach, instantiated in Bohrium+SciMaster. Bohrium acts as a managed, traceable hub for AI4S assets -- akin to a HuggingFace of AI for Science -- that turns diverse scientific data, software, compute, and laboratory systems into agent-ready capabilities. SciMaster orchestrates these capabilities into long-horizon scientific workflows, on which scientific agents can be composed and executed. Between infrastructure and orchestration, a \emph{scientific intelligence substrate} organizes reusable models, knowledge, and components into executable building blocks for workflow reasoning and action, enabling composition, auditability, and improvement through use. We demonstrate this stack with eleven representative master agents in real workflows, achieving orders-of-magnitude reductions in end-to-end scientific cycle time and generating execution-grounded signals from real workloads at multi-million scale.

PhysMaster: Building an Autonomous AI Physicist for Theoretical and Computational Physics Research

Advances in LLMs have produced agents with knowledge and operational capabilities comparable to human scientists, suggesting potential to assist, accelerate, and automate research. However, existing studies mainly evaluate such systems on well-defined benchmarks or general tasks like literature retrieval, limiting their end-to-end problem-solving ability in open scientific scenarios. This is particularly true in physics, which is abstract, mathematically intensive, and requires integrating analytical reasoning with code-based computation. To address this, we propose PhysMaster, an LLM-based agent functioning as an autonomous theoretical and computational physicist. PhysMaster couples absract reasoning with numerical computation and leverages LANDAU, the Layered Academic Data Universe, which preserves retrieved literature, curated prior knowledge, and validated methodological traces, enhancing decision reliability and stability. It also employs an adaptive exploration strategy balancing efficiency and open-ended exploration, enabling robust performance in ultra-long-horizon tasks. We evaluate PhysMaster on problems from high-energy theory, condensed matter theory to astrophysics, including: (i) acceleration, compressing labor-intensive research from months to hours; (ii) automation, autonomously executing hypothesis-driven loops ; and (iii) autonomous discovery, independently exploring open problems.

D2Pruner: Debiased Importance and Structural Diversity for MLLM Token Pruning

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.

IPCV: Information-Preserving Compression for MLLM Visual Encoders

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.

Towards Seamless Interaction: Causal Turn-Level Modeling of Interactive 3D Conversational Head Dynamics

Human conversation involves continuous exchanges of speech and nonverbal cues such as head nods, gaze shifts, and facial expressions that convey attention and emotion. Modeling these bidirectional dynamics in 3D is essential for building expressive avatars and interactive robots. However, existing frameworks often treat talking and listening as independent processes or rely on non-causal full-sequence modeling, hindering temporal coherence across turns. We present TIMAR (Turn-level Interleaved Masked AutoRegression), a causal framework for 3D conversational head generation that models dialogue as interleaved audio-visual contexts. It fuses multimodal information within each turn and applies turn-level causal attention to accumulate conversational history, while a lightweight diffusion head predicts continuous 3D head dynamics that captures both coordination and expressive variability. Experiments on the DualTalk benchmark show that TIMAR reduces Fréchet Distance and MSE by 15-30% on the test set, and achieves similar gains on out-of-distribution data. The source code will be released in the GitHub repository https://github.com/CoderChen01/towards-seamleass-interaction.

Uni-Parser Technical Report

This technical report introduces Uni-Parser, an industrial-grade document parsing engine tailored for scientific literature and patents, delivering high throughput, robust accuracy, and cost efficiency. Unlike pipeline-based document parsing methods, Uni-Parser employs a modular, loosely coupled multi-expert architecture that preserves fine-grained cross-modal alignments across text, equations, tables, figures, and chemical structures, while remaining easily extensible to emerging modalities. The system incorporates adaptive GPU load balancing, distributed inference, dynamic module orchestration, and configurable modes that support either holistic or modality-specific parsing. Optimized for large-scale cloud deployment, Uni-Parser achieves a processing rate of up to 20 PDF pages per second on 8 x NVIDIA RTX 4090D GPUs, enabling cost-efficient inference across billions of pages. This level of scalability facilitates a broad spectrum of downstream applications, ranging from literature retrieval and summarization to the extraction of chemical structures, reaction schemes, and bioactivity data, as well as the curation of large-scale corpora for training next-generation large language models and AI4Science models.

SDAR-VL: Stable and Efficient Block-wise Diffusion for Vision-Language Understanding

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.

UNSEEN: Enhancing Dataset Pruning from a Generalization Perspective

The growing scale of datasets in deep learning has introduced significant computational challenges. Dataset pruning addresses this challenge by constructing a compact but informative coreset from the full dataset with comparable performance. Previous approaches typically establish scoring metrics based on specific criteria to identify representative samples. However, these methods predominantly rely on sample scores obtained from the model's performance during the training (i.e., fitting) phase. As scoring models achieve near-optimal performance on training data, such fitting-centric approaches induce a dense distribution of sample scores within a narrow numerical range. This concentration reduces the distinction between samples and hinders effective selection. To address this challenge, we conduct dataset pruning from the perspective of generalization, i.e., scoring samples based on models not exposed to them during training. We propose a plug-and-play framework, UNSEEN, which can be integrated into existing dataset pruning methods. Additionally, conventional score-based methods are single-step and rely on models trained solely on the complete dataset, providing limited perspective on the importance of samples. To address this limitation, we scale UNSEEN to multi-step scenarios and propose an incremental selection technique through scoring models trained on varying coresets, and optimize the quality of the coreset dynamically. Extensive experiments demonstrate that our method significantly outperforms existing state-of-the-art (SOTA) methods on CIFAR-10, CIFAR-100, and ImageNet-1K. Notably, on ImageNet-1K, UNSEEN achieves lossless performance while reducing training data by 30\%.

ImagebindDC: Compressing Multi-modal Data with Imagebind-based Condensation

Data condensation techniques aim to synthesize a compact dataset from a larger one to enable efficient model training, yet while successful in unimodal settings, they often fail in multimodal scenarios where preserving intricate inter-modal dependencies is crucial. To address this, we introduce ImageBindDC, a novel data condensation framework operating within the unified feature space of ImageBind. Our approach moves beyond conventional distribution-matching by employing a powerful Characteristic Function (CF) loss, which operates in the Fourier domain to facilitate a more precise statistical alignment via exact infinite moment matching. We design our objective to enforce three critical levels of distributional consistency: (i) uni-modal alignment, which matches the statistical properties of synthetic and real data within each modality; (ii) cross-modal alignment, which preserves pairwise semantics by matching the distributions of hybrid real-synthetic data pairs; and (iii) joint-modal alignment, which captures the complete multivariate data structure by aligning the joint distribution of real data pairs with their synthetic counterparts. Extensive experiments highlight the effectiveness of ImageBindDC: on the NYU-v2 dataset, a model trained on just 5 condensed datapoints per class achieves lossless performance comparable to one trained on the full dataset, achieving a new state-of-the-art with an 8.2\% absolute improvement over the previous best method and more than 4$\times$ less condensation time.