Dongzhan Zhou

Junxian Li, Di Zhang, Xunzhi Wang et al. · mit

Large Language Models (LLMs) have achieved remarkable success and have been applied across various scientific fields, including chemistry. However, many chemical tasks require the processing of visual information, which cannot be successfully handled by existing chemical LLMs. This brings a growing need for models capable of integrating multimodal information in the chemical domain. In this paper, we introduce \textbf{ChemVLM}, an open-source chemical multimodal large language model specifically designed for chemical applications. ChemVLM is trained on a carefully curated bilingual multimodal dataset that enhances its ability to understand both textual and visual chemical information, including molecular structures, reactions, and chemistry examination questions. We develop three datasets for comprehensive evaluation, tailored to Chemical Optical Character Recognition (OCR), Multimodal Chemical Reasoning (MMCR), and Multimodal Molecule Understanding tasks. We benchmark ChemVLM against a range of open-source and proprietary multimodal large language models on various tasks. Experimental results demonstrate that ChemVLM achieves competitive performance across all evaluated tasks. Our model can be found at https://huggingface.co/AI4Chem/ChemVLM-26B.

Yicheng Zou, Dongsheng Zhu, Lin Zhu et al.

We introduce Intern-S1-Pro, the first one-trillion-parameter scientific multimodal foundation model. Scaling to this unprecedented size, the model delivers a comprehensive enhancement across both general and scientific domains. Beyond stronger reasoning and image-text understanding capabilities, its intelligence is augmented with advanced agent capabilities. Simultaneously, its scientific expertise has been vastly expanded to master over 100 specialized tasks across critical science fields, including chemistry, materials, life sciences, and earth sciences. Achieving this massive scale is made possible by the robust infrastructure support of XTuner and LMDeploy, which facilitates highly efficient Reinforcement Learning (RL) training at the 1-trillion parameter level while ensuring strict precision consistency between training and inference. By seamlessly integrating these advancements, Intern-S1-Pro further fortifies the fusion of general and specialized intelligence, working as a Specializable Generalist, demonstrating its position in the top tier of open-source models for general capabilities, while outperforming proprietary models in the depth of specialized scientific tasks.

Yixuan Yang, Sha Zhang, Rui Li et al.

Transparent objects remain challenging for robotic perception due to unreliable depth sensing caused by refraction and reflection. While prior approaches rely on multi-view reconstruction or depth completion, they are often difficult to scale or deploy in real-world robotic systems. In this paper, we present a practical framework for transparent object perception and manipulation based on single-view RGB input. Our approach predicts voxel-space occupancy directly from a single image, providing a geometry-aware representation that supports downstream robotic grasping. To enable large-scale training, we construct a simulation pipeline that generates paired RGB images and voxel occupancy annotations under diverse materials and lighting conditions. We demonstrate that the predicted occupancy representation is robust to domain shifts and transfers effectively from simulation to real-world robotic setups without fine-tuning. A simple rule-based grasping strategy built on top of the occupancy further achieves reliable grasp performance on transparent objects. Extensive experiments in both simulation and real-world environments show that our framework provides accurate 3D understanding and enables practical manipulation of transparent objects. These results suggest that single-view occupancy prediction offers a scalable and effective solution for transparent object perception in robotics.

Zhongying Deng, Cheng Tang, Ziyan Huang et al. · pku

Foundation models have demonstrated remarkable success across diverse domains and tasks, primarily due to the thrive of large-scale, diverse, and high-quality datasets. However, in the field of medical imaging, the curation and assembling of such medical datasets are highly challenging due to the reliance on clinical expertise and strict ethical and privacy constraints, resulting in a scarcity of large-scale unified medical datasets and hindering the development of powerful medical foundation models. In this work, we present the largest survey to date of medical image datasets, covering over 1,000 open-access datasets with a systematic catalog of their modalities, tasks, anatomies, annotations, limitations, and potential for integration. Our analysis exposes a landscape that is modest in scale, fragmented across narrowly scoped tasks, and unevenly distributed across organs and modalities, which in turn limits the utility of existing medical image datasets for developing versatile and robust medical foundation models. To turn fragmentation into scale, we propose a metadata-driven fusion paradigm (MDFP) that integrates public datasets with shared modalities or tasks, thereby transforming multiple small data silos into larger, more coherent resources. Building on MDFP, we release an interactive discovery portal that enables end-to-end, automated medical image dataset integration, and compile all surveyed datasets into a unified, structured table that clearly summarizes their key characteristics and provides reference links, offering the community an accessible and comprehensive repository. By charting the current terrain and offering a principled path to dataset consolidation, our survey provides a practical roadmap for scaling medical imaging corpora, supporting faster data discovery, more principled dataset creation, and more capable medical foundation models.

Yun Luo, Futing Wang, Qianjia Cheng et al.

The transition from symbolic manipulation to science-grade reasoning represents a pivotal frontier for Large Language Models (LLMs), with physics serving as the critical test anchor for binding abstract logic to physical reality. Physics demands that a model maintain physical consistency with the laws governing the universe, a task that fundamentally requires multimodal perception to ground abstract logic in reality. At the Olympiad level, diagrams are often constitutive rather than illustrative, containing essential constraints, such as boundary conditions and spatial symmetries, that are absent from the text. To bridge this visual-logical gap, we introduce P1-VL, a family of open-source vision-language models engineered for advanced scientific reasoning. Our method harmonizes Curriculum Reinforcement Learning, which employs progressive difficulty expansion to stabilize post-training, with Agentic Augmentation, enabling iterative self-verification at inference. Evaluated on HiPhO, a rigorous benchmark of 13 exams from 2024-2025, our flagship P1-VL-235B-A22B becomes the first open-source Vision-Language Model (VLM) to secure 12 gold medals and achieves the state-of-the-art performance in the open-source models. Our agent-augmented system achieves the No.2 overall rank globally, trailing only Gemini-3-Pro. Beyond physics, P1-VL demonstrates remarkable scientific reasoning capacity and generalizability, establishing significant leads over base models in STEM benchmarks. By open-sourcing P1-VL, we provide a foundational step toward general-purpose physical intelligence to better align visual perceptions with abstract physical laws for machine scientific discovery.

Xinchi Zhou, Dongzhan Zhou, Wanli Ouyang et al.

Recent years have witnessed the success of deep learning on the visual sound separation task. However, existing works follow similar settings where the training and testing datasets share the same musical instrument categories, which to some extent limits the versatility of this task. In this work, we focus on a more general and challenging scenario, namely the separation of unknown musical instruments, where the categories in training and testing phases have no overlap with each other. To tackle this new setting, we propose the Separation-with-Consistency (SeCo) framework, which can accomplish the separation on unknown categories by exploiting the consistency constraints. Furthermore, to capture richer characteristics of the novel melodies, we devise an online matching strategy, which can bring stable enhancements with no cost of extra parameters. Experiments demonstrate that our SeCo framework exhibits strong adaptation ability on the novel musical categories and outperforms the baseline methods by a significant margin.

Yankai Jiang, Wenjie Lou, Lilong Wang et al.

We introduce SCP: the Science Context Protocol, an open-source standard designed to accelerate discovery by enabling a global network of autonomous scientific agents. SCP is built on two foundational pillars: (1) Unified Resource Integration: At its core, SCP provides a universal specification for describing and invoking scientific resources, spanning software tools, models, datasets, and physical instruments. This protocol-level standardization enables AI agents and applications to discover, call, and compose capabilities seamlessly across disparate platforms and institutional boundaries. (2) Orchestrated Experiment Lifecycle Management: SCP complements the protocol with a secure service architecture, which comprises a centralized SCP Hub and federated SCP Servers. This architecture manages the complete experiment lifecycle (registration, planning, execution, monitoring, and archival), enforces fine-grained authentication and authorization, and orchestrates traceable, end-to-end workflows that bridge computational and physical laboratories. Based on SCP, we have constructed a scientific discovery platform that offers researchers and agents a large-scale ecosystem of more than 1,600 tool resources. Across diverse use cases, SCP facilitates secure, large-scale collaboration between heterogeneous AI systems and human researchers while significantly reducing integration overhead and enhancing reproducibility. By standardizing scientific context and tool orchestration at the protocol level, SCP establishes essential infrastructure for scalable, multi-institution, agent-driven science.

Heng Zhou, Li Kang, Yiran Qin et al.

Understanding the world from distributed, partial viewpoints is a fundamental challenge for embodied multi-agent systems. Each agent perceives the environment through an ego-centric view that is often limited by occlusion and ambiguity. To study this problem, we introduce the Ego-to-World (E2W) benchmark, which evaluates a vision-language model's ability to fuse heterogeneous viewpoints across three tasks: (i) global counting, (ii) relational location reasoning, and (iii) action-oriented grasping that requires predicting view-specific image coordinates. To address this setting, we propose CoRL, a two-stage framework that combines Chain-of-Thought supervised fine-tuning with reinforcement learning using Group-Relative Policy Optimization. Its core component, the Cross-View Spatial Reward (CVSR), provides dense task-aligned feedback by linking reasoning steps to visual evidence, ensuring coherent cross-view entity resolution, and guiding the model toward correct final predictions. Experiments on E2W show that CoRL consistently surpasses strong proprietary and open-source baselines on both reasoning and perception-grounding metrics, while ablations further confirm the necessity of each CVSR component. Beyond that, CoRL generalizes to external spatial reasoning benchmarks and enables effective real-world multi-robot manipulation with calibrated multi-camera rigs, demonstrating cross-view localization and successful grasp-and-place execution. Together, E2W and CoRL provide a principled foundation for learning world-centric scene understanding from distributed, ego-centric observations, advancing collaborative embodied AI.

Yiheng Wang, Yixin Chen, Shuo Li et al.

We introduce SciEvalKit, a unified benchmarking toolkit designed to evaluate AI models for science across a broad range of scientific disciplines and task capabilities. Unlike general-purpose evaluation platforms, SciEvalKit focuses on the core competencies of scientific intelligence, including Scientific Multimodal Perception, Scientific Multimodal Reasoning, Scientific Multimodal Understanding, Scientific Symbolic Reasoning, Scientific Code Generation, Science Hypothesis Generation and Scientific Knowledge Understanding. It supports six major scientific domains, spanning from physics and chemistry to astronomy and materials science. SciEvalKit builds a foundation of expert-grade scientific benchmarks, curated from real-world, domain-specific datasets, ensuring that tasks reflect authentic scientific challenges. The toolkit features a flexible, extensible evaluation pipeline that enables batch evaluation across models and datasets, supports custom model and dataset integration, and provides transparent, reproducible, and comparable results. By bridging capability-based evaluation and disciplinary diversity, SciEvalKit offers a standardized yet customizable infrastructure to benchmark the next generation of scientific foundation models and intelligent agents. The toolkit is open-sourced and actively maintained to foster community-driven development and progress in AI4Science.

Jiaxuan Lu, Ziyu Kong, Yemin Wang et al.

The central challenge of AI for Science is not reasoning alone, but the ability to create computational methods in an open-ended scientific world. Existing LLM-based agents rely on static, pre-defined tool libraries, a paradigm that fundamentally fails in scientific domains where tools are sparse, heterogeneous, and intrinsically incomplete. In this paper, we propose Test-Time Tool Evolution (TTE), a new paradigm that enables agents to synthesize, verify, and evolve executable tools during inference. By transforming tools from fixed resources into problem-driven artifacts, TTE overcomes the rigidity and long-tail limitations of static tool libraries. To facilitate rigorous evaluation, we introduce SciEvo, a benchmark comprising 1,590 scientific reasoning tasks supported by 925 automatically evolved tools. Extensive experiments show that TTE achieves state-of-the-art performance in both accuracy and tool efficiency, while enabling effective cross-domain adaptation of computational tools. The code and benchmark have been released at https://github.com/lujiaxuan0520/Test-Time-Tool-Evol.

Hongxu Ma, Guang Li, Shijie Wang et al.

Dataset distillation (DD) compresses a large training set into a small synthetic set, reducing storage and training cost, and has shown strong results on general benchmarks. Decoupled DD further improves efficiency by splitting the pipeline into pretraining, sample distillation, and soft-label generation. However, existing decoupled methods largely rely on coarse class-label supervision and optimize samples within each class in a nearly identical manner. On fine-grained datasets, this often yields distilled samples that (i) retain large intra-class variation with subtle inter-class differences and (ii) become overly similar within the same class, limiting localized discriminative cues and hurting recognition. To solve the above-mentioned problems, we propose FD$^{2}$, a dedicated framework for Fine-grained Dataset Distillation. FD$^{2}$ localizes discriminative regions and constructs fine-grained representations for distillation. During pretraining, counterfactual attention learning aggregates discriminative representations to update class prototypes. During distillation, a fine-grained characteristic constraint aligns each sample with its class prototype while repelling others, and a similarity constraint diversifies attention across same-class samples. Experiments on multiple fine-grained and general datasets show that FD$^{2}$ integrates seamlessly with decoupled DD and improves performance in most settings, indicating strong transferability.

Jucheng Hu, Zhangquan Chen, Yulin Chen et al.

Deciphering animal intent is a fundamental challenge in computational ethology, largely because of semantic aliasing, the phenomenon where identical external signals (e.g., a cat's purr) correspond to radically different internal states depending on physiological context. Existing Multimodal Large Language Models (MLLMs) are blind to high-frequency biological time-series data, restricting them to superficial behavioural pattern matching rather than genuine latent-state reasoning. To bridge this gap, we introduce Meow-Omni 1, the first open-source, quad-modal MLLM purpose-built for computational ethology. It natively fuses video, audio, and physiological time-series streams with textual reasoning. Through targeted architectural adaptation, we integrate specialized scientific encoders into a unified backbone and formalize intent inference via physiologically grounded cross-modal alignment. Evaluated on MeowBench, a novel, expert-verified quad-modal benchmark, Meow-Omni 1 achieves state-of-the-art intent-recognition accuracy (71.16%), substantially outperforming leading vision-language and omni-modal baselines. We release the complete open-source pipeline including model weights, training framework, and the Meow-10K dataset, to establish a scalable paradigm for inter-species intent understanding and to advance foundation models toward real-world veterinary diagnostics and wildlife conservation.

Yaoting Wang, Peiwen Sun, Dongzhan Zhou et al.

Traditional reference segmentation tasks have predominantly focused on silent visual scenes, neglecting the integral role of multimodal perception and interaction in human experiences. In this work, we introduce a novel task called Reference Audio-Visual Segmentation (Ref-AVS), which seeks to segment objects within the visual domain based on expressions containing multimodal cues. Such expressions are articulated in natural language forms but are enriched with multimodal cues, including audio and visual descriptions. To facilitate this research, we construct the first Ref-AVS benchmark, which provides pixel-level annotations for objects described in corresponding multimodal-cue expressions. To tackle the Ref-AVS task, we propose a new method that adequately utilizes multimodal cues to offer precise segmentation guidance. Finally, we conduct quantitative and qualitative experiments on three test subsets to compare our approach with existing methods from related tasks. The results demonstrate the effectiveness of our method, highlighting its capability to precisely segment objects using multimodal-cue expressions. Dataset is available at \href{https://gewu-lab.github.io/Ref-AVS}{https://gewu-lab.github.io/Ref-AVS}.

Andres M Bran, Tong Xie, Shai Pranesh et al.

Large Language Models can develop reasoning capabilities through online fine-tuning with rule-based rewards. However, recent studies reveal a critical constraint: reinforcement learning succeeds only when the base model already assigns non-negligible probability to correct answers -- a property we term 'latent solvability'. This work investigates the emergence of chemical reasoning capabilities and what these prerequisites mean for chemistry. We identify two necessary conditions for RL-based chemical reasoning: 1) Symbolic competence, and 2) Latent chemical knowledge. We propose mid-stage scientific training (MiST): a set of mid-stage training techniques to satisfy these, including data-mixing with SMILES/CIF-aware pre-processing, continued pre-training on 2.9B tokens, and supervised fine-tuning on 1B tokens. These steps raise the latent-solvability score on 3B and 7B models by up to 1.8x, and enable RL to lift top-1 accuracy from 10.9 to 63.9% on organic reaction naming, and from 40.6 to 67.4% on inorganic material generation. Similar results are observed for other challenging chemical tasks, while producing interpretable reasoning traces. Our results define clear prerequisites for chemical reasoning training and highlight the broader role of mid-stage training in unlocking reasoning capabilities.

Wanghan Xu, Yuhao Zhou, Yifan Zhou et al.

Despite advances in scientific AI, a coherent framework for Scientific General Intelligence (SGI)-the ability to autonomously conceive, investigate, and reason across scientific domains-remains lacking. We present an operational SGI definition grounded in the Practical Inquiry Model (PIM: Deliberation, Conception, Action, Perception) and operationalize it via four scientist-aligned tasks: deep research, idea generation, dry/wet experiments, and experimental reasoning. SGI-Bench comprises over 1,000 expert-curated, cross-disciplinary samples inspired by Science's 125 Big Questions, enabling systematic evaluation of state-of-the-art LLMs. Results reveal gaps: low exact match (10--20%) in deep research despite step-level alignment; ideas lacking feasibility and detail; high code executability but low execution result accuracy in dry experiments; low sequence fidelity in wet protocols; and persistent multimodal comparative-reasoning challenges. We further introduce Test-Time Reinforcement Learning (TTRL), which optimizes retrieval-augmented novelty rewards at inference, enhancing hypothesis novelty without reference answer. Together, our PIM-grounded definition, workflow-centric benchmark, and empirical insights establish a foundation for AI systems that genuinely participate in scientific discovery.

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.

Lei Bai, Zhongrui Cai, Yuhang Cao et al.

In recent years, a plethora of open-source foundation models have emerged, achieving remarkable progress in some widely attended fields, with performance being quite close to that of closed-source models. However, in high-value but more challenging scientific professional fields, either the fields still rely on expert models, or the progress of general foundation models lags significantly compared to those in popular areas, far from sufficient for transforming scientific research and leaving substantial gap between open-source models and closed-source models in these scientific domains. To mitigate this gap and explore a step further toward Artificial General Intelligence (AGI), we introduce Intern-S1, a specialized generalist equipped with general understanding and reasoning capabilities with expertise to analyze multiple science modal data. Intern-S1 is a multimodal Mixture-of-Experts (MoE) model with 28 billion activated parameters and 241 billion total parameters, continually pre-trained on 5T tokens, including over 2.5T tokens from scientific domains. In the post-training stage, Intern-S1 undergoes offline and then online reinforcement learning (RL) in InternBootCamp, where we propose Mixture-of-Rewards (MoR) to synergize the RL training on more than 1000 tasks simultaneously. Through integrated innovations in algorithms, data, and training systems, Intern-S1 achieved top-tier performance in online RL training. On comprehensive evaluation benchmarks, Intern-S1 demonstrates competitive performance on general reasoning tasks among open-source models and significantly outperforms open-source models in scientific domains, surpassing closed-source state-of-the-art models in professional tasks, such as molecular synthesis planning, reaction condition prediction, predicting thermodynamic stabilities for crystals. Our models are available at https://huggingface.co/internlm/Intern-S1.

Kaixuan Fan, Kaituo Feng, Haoming Lyu et al.

Recent advances have shown success in eliciting strong reasoning abilities in multimodal large language models (MLLMs) through rule-based reinforcement learning (RL) with outcome rewards. However, this paradigm typically lacks supervision over the thinking process leading to the final outcome.As a result, the model may learn sub-optimal reasoning strategies, which can hinder its generalization ability. In light of this, we propose SophiaVL-R1, as an attempt to add reward signals for the thinking process in this paradigm. To achieve this, we first train a thinking reward model that evaluates the quality of the entire thinking process. Given that the thinking reward may be unreliable for certain samples due to reward hacking, we propose the Trust-GRPO method, which assigns a trustworthiness weight to the thinking reward during training. This weight is computed based on the thinking reward comparison of responses leading to correct answers versus incorrect answers, helping to mitigate the impact of potentially unreliable thinking rewards. Moreover, we design an annealing training strategy that gradually reduces the thinking reward over time, allowing the model to rely more on the accurate rule-based outcome reward in later training stages. Experiments show that our SophiaVL-R1 surpasses a series of reasoning MLLMs on various benchmarks (e.g., MathVisita, MMMU), demonstrating strong reasoning and generalization capabilities. Notably, our SophiaVL-R1-7B even outperforms LLaVA-OneVision-72B on most benchmarks, despite the latter having 10 times more parameters. All code, models, and datasets are made publicly available at https://github.com/kxfan2002/SophiaVL-R1.

Zeyu Xia, Jinzhe Ma, Congjie Zheng et al.

Large Language Models (LLMs) have emerged as powerful tools for accelerating scientific discovery, yet their static knowledge and hallucination issues hinder autonomous research applications. Recent advances integrate LLMs into agentic frameworks, enabling retrieval, reasoning, and tool use for complex scientific workflows. Here, we present a domain-specialized agent designed for reliable automation of first-principles materials computations. By embedding domain expertise, the agent ensures physically coherent multi-step workflows and consistently selects convergent, well-posed parameters, thereby enabling reliable end-to-end computational execution. A new benchmark of diverse computational tasks demonstrates that our system significantly outperforms standalone LLMs in both accuracy and robustness. This work establishes a verifiable foundation for autonomous computational experimentation and represents a key step toward fully automated scientific discovery.

Xudong Tan, Peng Ye, Chongjun Tu et al.

Multimodal Large Language Models (MLLMs) are becoming increasingly popular, while the high computational cost associated with multimodal data input, particularly from visual tokens, poses a significant challenge. Existing training-based token compression methods improve inference efficiency but require costly retraining, while training-free methods struggle to maintain performance when aggressively reducing token counts. In this study, we reveal that the performance degradation of MLLM closely correlates with the accelerated loss of information in the attention output matrix. This insight introduces a novel information-preserving perspective, making it possible to maintain performance even under extreme token compression. Based on this finding, we propose TokenCarve, a training-free, plug-and-play, two-stage token compression framework. The first stage employs an Information-Preservation-Guided Selection (IPGS) strategy to prune low-information tokens, while the second stage further leverages IPGS to guide token merging, minimizing information loss. Extensive experiments on 11 datasets and 2 model variants demonstrate the effectiveness of TokenCarve. It can even reduce the number of visual tokens to 22.2% of the original count, achieving a 1.23x speedup in inference, a 64% reduction in KV cache storage, and only a 1.54% drop in accuracy. Our code is available at https://github.com/ShawnTan86/TokenCarve.

Chongjun Tu, Peng Ye, Dongzhan Zhou et al.

Multi-Modal Large Language Models (MLLMs) stand out in various tasks but still struggle with hallucinations. While recent training-free mitigation methods mostly introduce additional inference overhead via retrospection strategy and contrastive decoding, we propose attention reallocation (AttnReal) to mitigate hallucinations with nearly zero extra cost. Our approach is motivated by the key observations that, MLLM's unreasonable attention distribution causes features to be dominated by historical output tokens, which further contributes to hallucinated responses because of the distribution gap between different token types. Based on the observations, AttnReal recycles excessive attention from output tokens and reallocates it to visual tokens, which reduces MLLM's reliance on language priors and ensures the decoding process depends more on the visual inputs. More interestingly, we find that, by controlling the intensity of AttnReal, we can achieve a wide-range trade-off between the response faithfulness and overall performance. Comprehensive results from different benchmarks validate the effectiveness of AttnReal across six open-source MLLMs and three decoding strategies.

Tong Xie, Yuwei Wan, Yixuan Liu et al.

Materials discovery and design aim to find compositions and structures with desirable properties over highly complex and diverse physical spaces. Traditional solutions, such as high-throughput simulations or machine learning, often rely on complex descriptors, which hinder generalizability and transferability across different material systems. Moreover, These descriptors may inadequately represent macro-scale material properties, which are influenced by structural imperfections and compositional variations in real-world samples, thus limiting their practical applicability. To address these challenges, we propose DARWIN 1.5, the largest open-source large language model tailored for materials science. By leveraging natural language as input, DARWIN eliminates the need for task-specific descriptors and enables a flexible, unified approach to material property prediction and discovery. Our approach integrates 6M material domain papers and 21 experimental datasets from 49,256 materials across modalities while enabling cross-task knowledge transfer. The enhanced model achieves up to 59.1% improvement in prediction accuracy over the base LLaMA-7B architecture and outperforms SOTA machine learning approaches across 8 materials design tasks. These results establish LLMs as a promising foundation for developing versatile and scalable models in materials science.

Qian Tan, Dongzhan Zhou, Peng Xia et al.

Multimodal large language models (MLLMs) have made impressive progress in many applications in recent years. However, chemical MLLMs that can handle cross-modal understanding and generation remain underexplored. To fill this gap, we propose ChemMLLM, a unified chemical multimodal large language model for molecule understanding and generation. Also, we design five multimodal tasks across text, molecular SMILES strings, and image, and curate the datasets. We benchmark ChemMLLM against a range of general leading MLLMs and Chemical LLMs on these tasks. Experimental results show that ChemMLLM achieves superior performance across all evaluated tasks. For example, in molecule image optimization task, ChemMLLM outperforms the best baseline (GPT-4o) by 116.75\% (4.27 vs 1.97 property improvement). The code is publicly available at https://github.com/bbsbz/ChemMLLM.git.

Shenghe Zheng, Qianjia Cheng, Junchi Yao et al. · tsinghua

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.

Fangchen Yu, Haiyuan Wan, Qianjia Cheng et al. · pku, tsinghua

Recently, the physical capabilities of (M)LLMs have garnered increasing attention. However, existing benchmarks for physics suffer from two major gaps: they neither provide systematic and up-to-date coverage of real-world physics competitions such as physics Olympiads, nor enable direct performance comparison with humans. To bridge these gaps, we present HiPhO, the first benchmark dedicated to high school physics Olympiads with human-aligned evaluation. Specifically, HiPhO highlights three key innovations. (1) Comprehensive Data: It compiles 13 latest Olympiad exams from 2024-2025, spanning both international and regional competitions, and covering mixed modalities that encompass problems spanning text-only to diagram-based. (2) Professional Evaluation: We adopt official marking schemes to perform fine-grained grading at both the answer and step level, fully aligned with human examiners to ensure high-quality and domain-specific evaluation. (3) Comparison with Human Contestants: We assign gold, silver, and bronze medals to models based on official medal thresholds, thereby enabling direct comparison between (M)LLMs and human contestants. Our large-scale evaluation of 30 state-of-the-art (M)LLMs shows that: across 13 exams, open-source MLLMs mostly remain at or below the bronze level; open-source LLMs show promising progress with multiple golds; closed-source reasoning MLLMs can achieve 6 to 12 gold medals; and most models still have a significant gap from full marks. These results highlight the performance gap between open-source models and top students, the strong reasoning abilities of closed-source models, and the remaining room for improvement. HiPhO, a human-aligned Olympiad benchmark for multimodal physical reasoning, is open-source at https://github.com/SciYu/HiPhO with a public leaderboard at https://phyarena.github.io/.

Ruoxuan Feng, Yuxuan Zhou, Siyu Mei et al.

Real-world contact-rich manipulation demands robots to perceive temporal tactile feedback, capture subtle surface deformations, and reason about object properties as well as force dynamics. Although optical tactile sensors are uniquely capable of providing such rich information, existing tactile datasets and models remain limited. These resources primarily focus on object-level attributes (e.g., material) while largely overlooking fine-grained tactile temporal dynamics during physical interactions. We consider that advancing dynamic tactile perception requires a systematic hierarchy of dynamic perception capabilities to guide both data collection and model design. To address the lack of tactile data with rich dynamic information, we present ToucHD, a large-scale hierarchical tactile dataset spanning tactile atomic actions, real-world manipulations, and touch-force paired data. Beyond scale, ToucHD establishes a comprehensive tactile dynamic data ecosystem that explicitly supports hierarchical perception capabilities from the data perspective. Building on it, we propose AnyTouch 2, a general tactile representation learning framework for diverse optical tactile sensors that unifies object-level understanding with fine-grained, force-aware dynamic perception. The framework captures both pixel-level and action-specific deformations across frames, while explicitly modeling physical force dynamics, thereby learning multi-level dynamic perception capabilities from the model perspective. We evaluate our model on benchmarks that covers static object properties and dynamic physical attributes, as well as real-world manipulation tasks spanning multiple tiers of dynamic perception capabilities-from basic object-level understanding to force-aware dexterous manipulation. Experimental results demonstrate consistent and strong performance across sensors and tasks.

Fangchen Yu, Junchi Yao, Ziyi Wang et al. · tsinghua

Physics is central to understanding and shaping the real world, and the ability to solve physics problems is a key indicator of real-world physical intelligence. Physics Olympiads, renowned as the crown of competitive physics, provide a rigorous testbed requiring complex reasoning and deep multimodal understanding, yet they remain largely underexplored in AI research. Existing approaches are predominantly single-model based, and open-source MLLMs rarely reach gold-medal-level performance. To address this gap, we propose PhysicsMinions, a coevolutionary multi-agent system for Physics Olympiad. Its architecture features three synergistic studios: a Visual Studio to interpret diagrams, a Logic Studio to formulate solutions, and a Review Studio to perform dual-stage verification. The system coevolves through an iterative refinement loop where feedback from the Review Studio continuously guides the Logic Studio, enabling the system to self-correct and converge towards the ground truth. Evaluated on the HiPhO benchmark spanning 7 latest physics Olympiads, PhysicsMinions delivers three major breakthroughs: (i) Strong generalization: it consistently improves both open-source and closed-source models of different sizes, delivering clear benefits over their single-model baselines; (ii) Historic breakthroughs: it elevates open-source models from only 1-2 to 6 gold medals across 7 Olympiads, achieving the first-ever open-source gold medal in the latest International Physics Olympiad (IPhO) under the average-score metric; and (iii) Scaling to human expert: it further advances the open-source Pass@32 score to 26.8/30 points on the latest IPhO, ranking 4th of 406 contestants and far surpassing the top single-model score of 22.7 (ranked 22nd). Generally, PhysicsMinions offers a generalizable framework for Olympiad-level problem solving, with the potential to extend across disciplines.

Yizhou Wang, Chen Tang, Han Deng et al.

We present a scientific reasoning foundation model that aligns natural language with heterogeneous scientific representations. The model is pretrained on a 206B-token corpus spanning scientific text, pure sequences, and sequence-text pairs, then aligned via SFT on 40M instructions, annealed cold-start bootstrapping to elicit long-form chain-of-thought, and reinforcement learning with task-specific reward shaping, which instills deliberate scientific reasoning. It supports four capability families, covering up to 103 tasks across workflows: (i) faithful translation between text and scientific formats, (ii) text/knowledge extraction, (iii) property prediction, (iv) property classification, (v) unconditional and conditional sequence generation and design. Compared with specialist systems, our approach broadens instruction coverage, improves cross-domain generalization, and enhances fidelity. We detail data curation and training and show that cross-discipline learning strengthens transfer and downstream reliability. The model, instruct tuning datasets and the evaluation code are open-sourced at https://huggingface.co/SciReason and https://github.com/open-sciencelab/SciReason.

Weida Wang, Dongchen Huang, Jiatong Li et al.

We introduce CMPhysBench, designed to assess the proficiency of Large Language Models (LLMs) in Condensed Matter Physics, as a novel Benchmark. CMPhysBench is composed of more than 520 graduate-level meticulously curated questions covering both representative subfields and foundational theoretical frameworks of condensed matter physics, such as magnetism, superconductivity, strongly correlated systems, etc. To ensure a deep understanding of the problem-solving process,we focus exclusively on calculation problems, requiring LLMs to independently generate comprehensive solutions. Meanwhile, leveraging tree-based representations of expressions, we introduce the Scalable Expression Edit Distance (SEED) score, which provides fine-grained (non-binary) partial credit and yields a more accurate assessment of similarity between prediction and ground-truth. Our results show that even the best models, Grok-4, reach only 36 average SEED score and 28% accuracy on CMPhysBench, underscoring a significant capability gap, especially for this practical and frontier domain relative to traditional physics. The code anddataset are publicly available at https://github.com/CMPhysBench/CMPhysBench.

Mengsong Wu, YaFei Wang, Yidong Ming et al.

Large language models (LLMs) have recently demonstrated promising capabilities in chemistry tasks while still facing challenges due to outdated pretraining knowledge and the difficulty of incorporating specialized chemical expertise. To address these issues, we propose an LLM-based agent that synergistically integrates 137 external chemical tools created ranging from basic information retrieval to complex reaction predictions, and a dataset curation pipeline to generate the dataset ChemToolBench that facilitates both effective tool selection and precise parameter filling during fine-tuning and evaluation. We introduce a Hierarchical Evolutionary Monte Carlo Tree Search (HE-MCTS) framework, enabling independent optimization of tool planning and execution. By leveraging self-generated data, our approach supports step-level fine-tuning (FT) of the policy model and training task-adaptive PRM and ORM that surpass GPT-4o. Experimental evaluations demonstrate that our approach significantly improves performance in Chemistry QA and discovery tasks, offering a robust solution to integrate specialized tools with LLMs for advanced chemical applications. All datasets and code are available at https://github.com/AI4Chem/ChemistryAgent .

Yifeng Guan, Chuyi Liu, Dongzhan Zhou et al.

Discovering interpretable physical laws from high-dimensional data is a fundamental challenge in scientific research. Traditional methods, such as symbolic regression, often produce complex, unphysical formulas when searching a vast space of possible forms. We introduce a framework that guides the search process by leveraging the embedded scientific knowledge of large language models, enabling efficient identification of physical laws in the data. We validate our approach by modeling key properties of perovskite materials. Our method mitigates the combinatorial explosion commonly encountered in traditional symbolic regression, reducing the effective search space by a factor of approximately $10^5$. A set of novel formulas for bulk modulus, band gap, and oxygen evolution reaction activity are identified, which not only provide meaningful physical insights but also outperform previous formulas in accuracy and simplicity.

Li Kang, Yutao Fan, Rui Li et al.

Multi-agent embodied systems hold promise for complex collaborative manipulation, yet face critical challenges in spatial coordination, temporal reasoning, and shared workspace awareness. Inspired by human collaboration where cognitive planning occurs separately from physical execution, we introduce the concept of compositional environment -- a synergistic integration of real-world and simulation components that enables multiple robotic agents to perceive intentions and operate within a unified decision-making space. Building on this concept, we present CoEnv, a framework that leverages simulation for safe strategy exploration while ensuring reliable real-world deployment. CoEnv operates through three stages: real-to-sim scene reconstruction that digitizes physical workspaces, VLM-driven action synthesis supporting both real-time planning with high-level interfaces and iterative planning with code-based trajectory generation, and validated sim-to-real transfer with collision detection for safe deployment. Extensive experiments on challenging multi-arm manipulation benchmarks demonstrate CoEnv's effectiveness in achieving high task success rates and execution efficiency, establishing a new paradigm for multi-agent embodied AI.

Jiacheng Chen, Qianjia Cheng, Fangchen Yu et al. · tsinghua

Recent progress in large language models (LLMs) has moved the frontier from puzzle-solving to science-grade reasoning-the kind needed to tackle problems whose answers must stand against nature, not merely fit a rubric. Physics is the sharpest test of this shift, which binds symbols to reality in a fundamental way, serving as the cornerstone of most modern technologies. In this work, we manage to advance physics research by developing large language models with exceptional physics reasoning capabilities, especially excel at solving Olympiad-level physics problems. We introduce P1, a family of open-source physics reasoning models trained entirely through reinforcement learning (RL). Among them, P1-235B-A22B is the first open-source model with Gold-medal performance at the latest International Physics Olympiad (IPhO 2025), and wins 12 gold medals out of 13 international/regional physics competitions in 2024/2025. P1-30B-A3B also surpasses almost all other open-source models on IPhO 2025, getting a silver medal. Further equipped with an agentic framework PhysicsMinions, P1-235B-A22B+PhysicsMinions achieves overall No.1 on IPhO 2025, and obtains the highest average score over the 13 physics competitions. Besides physics, P1 models also present great performance on other reasoning tasks like math and coding, showing the great generalibility of P1 series.

Weijian Mai, Jiamin Wu, Yu Zhu et al.

Deciphering how visual stimuli are transformed into cortical responses is a fundamental challenge in computational neuroscience. This visual-to-neural mapping is inherently a one-to-many relationship, as identical visual inputs reliably evoke variable hemodynamic responses across trials, contexts, and subjects. However, existing deterministic methods struggle to simultaneously model this biological variability while capturing the underlying functional consistency that encodes stimulus information. To address these limitations, we propose SynBrain, a generative framework that simulates the transformation from visual semantics to neural responses in a probabilistic and biologically interpretable manner. SynBrain introduces two key components: (i) BrainVAE models neural representations as continuous probability distributions via probabilistic learning while maintaining functional consistency through visual semantic constraints; (ii) A Semantic-to-Neural Mapper acts as a semantic transmission pathway, projecting visual semantics into the neural response manifold to facilitate high-fidelity fMRI synthesis. Experimental results demonstrate that SynBrain surpasses state-of-the-art methods in subject-specific visual-to-fMRI encoding performance. Furthermore, SynBrain adapts efficiently to new subjects with few-shot data and synthesizes high-quality fMRI signals that are effective in improving data-limited fMRI-to-image decoding performance. Beyond that, SynBrain reveals functional consistency across trials and subjects, with synthesized signals capturing interpretable patterns shaped by biological neural variability. Our code is available at https://github.com/MichaelMaiii/SynBrain.

Mengsong Wu, Di Zhang, Yuqiang Li et al.

While Large Language Models (LLMs) have achieved remarkable success in a wide range of applications, their performance often degrades in complex reasoning tasks. In this work, we introduce SELT (Self-Evaluation LLM Tree Search), a novel framework that leverages a modified Monte Carlo Tree Search (MCTS) to enhance LLM reasoning without relying on external reward models. By redefining the Upper Confidence Bound scoring to align with intrinsic self-evaluation capabilities of LLMs and decomposing the inference process into atomic subtasks augmented with semantic clustering at each node, SELT effectively balances exploration and exploitation, reduces redundant reasoning paths, and mitigates hallucination. We validate our approach on challenging benchmarks, including the knowledge-based MMLU and the Tool Learning dataset Seal-Tools, where SELT achieves significant improvements in answer accuracy and reasoning robustness compared to baseline methods. Notably, our framework operates without task-specific fine-tuning, demonstrating strong generalizability across diverse reasoning tasks. Relevant results and code are available at https://github.com/fairyshine/SELT .

Haonan He, Yuchen Ren, Yining Tang et al.

Large language models (LLMs) have shown remarkable capabilities in general domains, but their application to multi-omics biology remains underexplored. To address this gap, we introduce Biology-Instructions, the first large-scale instruction-tuning dataset for multi-omics biological sequences, including DNA, RNA, proteins, and multi-molecules. This dataset bridges LLMs and complex biological sequence-related tasks, enhancing their versatility and reasoning while maintaining conversational fluency. We also highlight significant limitations of current state-of-the-art LLMs on multi-omics tasks without specialized training. To overcome this, we propose ChatMultiOmics, a strong baseline with a novel three-stage training pipeline, demonstrating superior biological understanding through Biology-Instructions. Both resources are publicly available, paving the way for better integration of LLMs in multi-omics analysis. The Biology-Instructions is publicly available at: https://github.com/hhnqqq/Biology-Instructions.

Xinzhu Ma, Yinmin Zhang, Dan Xu et al.

Estimating 3D bounding boxes from monocular images is an essential component in autonomous driving, while accurate 3D object detection from this kind of data is very challenging. In this work, by intensive diagnosis experiments, we quantify the impact introduced by each sub-task and found the `localization error' is the vital factor in restricting monocular 3D detection. Besides, we also investigate the underlying reasons behind localization errors, analyze the issues they might bring, and propose three strategies. First, we revisit the misalignment between the center of the 2D bounding box and the projected center of the 3D object, which is a vital factor leading to low localization accuracy. Second, we observe that accurately localizing distant objects with existing technologies is almost impossible, while those samples will mislead the learned network. To this end, we propose to remove such samples from the training set for improving the overall performance of the detector. Lastly, we also propose a novel 3D IoU oriented loss for the size estimation of the object, which is not affected by `localization error'. We conduct extensive experiments on the KITTI dataset, where the proposed method achieves real-time detection and outperforms previous methods by a large margin. The code will be made available at: https://github.com/xinzhuma/monodle.

Di Zhang, Wei Liu, Qian Tan et al.

Large language models (LLMs) have made impressive progress in chemistry applications. However, the community lacks an LLM specifically designed for chemistry. The main challenges are two-fold: firstly, most chemical data and scientific knowledge are stored in structured databases, which limits the model's ability to sustain coherent dialogue when used directly. Secondly, there is an absence of objective and fair benchmark that encompass most chemistry tasks. Here, we introduce ChemLLM, a comprehensive framework that features the first LLM dedicated to chemistry. It also includes ChemData, a dataset specifically designed for instruction tuning, and ChemBench, a robust benchmark covering nine essential chemistry tasks. ChemLLM is adept at performing various tasks across chemical disciplines with fluid dialogue interaction. Notably, ChemLLM achieves results comparable to GPT-4 on the core chemical tasks and demonstrates competitive performance with LLMs of similar size in general scenarios. ChemLLM paves a new path for exploration in chemical studies, and our method of incorporating structured chemical knowledge into dialogue systems sets a new standard for developing LLMs in various scientific fields. Codes, Datasets, and Model weights are publicly accessible at https://hf.co/AI4Chem

Shuyue Hu, Haoyang Yan, Yiqun Zhang et al.

Foundation models (FMs) are increasingly assuming the role of the "brain" of AI agents. While recent efforts have begun to equip FMs with native single-agent abilities -- such as GUI interaction or integrated tool use -- we argue that the next frontier is endowing FMs with native multi-agent intelligence. We identify four core capabilities of FMs in multi-agent contexts: understanding, planning, efficient communication, and adaptation. Contrary to assumptions about the spontaneous emergence of such abilities, we provide extensive empirical evidence across 41 large language models showing that strong single-agent performance alone does not automatically yield robust multi-agent intelligence. To address this gap, we outline key research directions -- spanning dataset construction, evaluation, training paradigms, and safety considerations -- for building FMs with native multi-agent intelligence.

Jianbao Cao, Zhangrui Zhao, Bohan Feng et al.

Automated laboratories hold the promise of accelerating scientific discovery, yet their deployment is bottlenecked by the difficulty of designing safe and executable environments. While simulator-based design offers scalability, existing 3D scene generation methods are primarily tailored for household settings, optimizing for visual plausibility while neglecting the rigorous functional semantics and safety constraints essential for scientific experimentation. We present LabBuilder, an end-to-end system that generates and verifies 3D laboratory layouts from concise textual specifications. It operates through three tightly coupled components: LabForge first curates a meta-dataset of annotated assets and chemical knowledge, translating natural language specifications into structured protocols; building on these protocols, LabGen synthesizes laboratory layouts via an iterative, constraint-aware optimization strategy; finally, LabTouchstone evaluates the resulting layouts as a unified benchmark. Extensive experiments demonstrate that LabBuilder significantly outperforms existing state-of-the-art methods, producing laboratory environments that are not only realistic but also functionally valid and safe for complex experimental workflows.

Di Zhang, Junxian Li, Jingdi Lei et al.

Vision-language models (VLMs) have shown remarkable advancements in multimodal reasoning tasks. However, they still often generate inaccurate or irrelevant responses due to issues like hallucinated image understandings or unrefined reasoning paths. To address these challenges, we introduce Critic-V, a novel framework inspired by the Actor-Critic paradigm to boost the reasoning capability of VLMs. This framework decouples the reasoning process and critic process by integrating two independent components: the Reasoner, which generates reasoning paths based on visual and textual inputs, and the Critic, which provides constructive critique to refine these paths. In this approach, the Reasoner generates reasoning responses according to text prompts, which can evolve iteratively as a policy based on feedback from the Critic. This interaction process was theoretically driven by a reinforcement learning framework where the Critic offers natural language critiques instead of scalar rewards, enabling more nuanced feedback to boost the Reasoner's capability on complex reasoning tasks. The Critic model is trained using Direct Preference Optimization (DPO), leveraging a preference dataset of critiques ranked by Rule-based Reward~(RBR) to enhance its critic capabilities. Evaluation results show that the Critic-V framework significantly outperforms existing methods, including GPT-4V, on 5 out of 8 benchmarks, especially regarding reasoning accuracy and efficiency. Combining a dynamic text-based policy for the Reasoner and constructive feedback from the preference-optimized Critic enables a more reliable and context-sensitive multimodal reasoning process. Our approach provides a promising solution to enhance the reliability of VLMs, improving their performance in real-world reasoning-heavy multimodal applications such as autonomous driving and embodied intelligence.

Yujie Liu, Zonglin Yang, Tong Xie et al.

Large language models (LLMs) have demonstrated potential in assisting scientific research, yet their ability to discover high-quality research hypotheses remains unexamined due to the lack of a dedicated benchmark. To address this gap, we introduce the first large-scale benchmark for evaluating LLMs with a near-sufficient set of sub-tasks of scientific discovery: inspiration retrieval, hypothesis composition, and hypothesis ranking. We develop an automated framework that extracts critical components - research questions, background surveys, inspirations, and hypotheses - from scientific papers across 12 disciplines, with expert validation confirming its accuracy. To prevent data contamination, we focus exclusively on papers published in 2024, ensuring minimal overlap with LLM pretraining data. Our evaluation reveals that LLMs perform well in retrieving inspirations, an out-of-distribution task, suggesting their ability to surface novel knowledge associations. This positions LLMs as "research hypothesis mines", capable of facilitating automated scientific discovery by generating innovative hypotheses at scale with minimal human intervention.

InternAgent Team, Bo Zhang, Shiyang Feng et al.

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

Suorong Yang, Peng Ye, Wanli Ouyang et al.

Large-scale datasets have been pivotal to the advancements of deep learning models in recent years, but training on such large datasets invariably incurs substantial storage and computational overhead. Meanwhile, real-world datasets often contain redundant and noisy data, imposing a negative impact on training efficiency and model performance. Data selection has shown promise in identifying the most representative samples from the entire dataset, which aims to minimize the performance gap with reduced training costs. Existing works typically rely on single-modality information to assign importance scores for individual samples, which may lead to inaccurate assessments, especially when dealing with noisy or corrupted samples. To address this limitation, we propose a novel CLIP-powered data selection framework that leverages multimodal information for more robust and generalizable sample selection. Specifically, our framework consists of three key modules-dataset adaptation, sample scoring, and selection optimization-that together harness extensive pre-trained multimodal knowledge to comprehensively assess sample influence and optimize the selection results through multi-objective optimization. Extensive experiments demonstrate that our approach consistently outperforms existing state-of-the-art baselines on various benchmark datasets. Notably, our method effectively removes noisy or damaged samples from the dataset, enabling it to achieve even higher performance with less data. This indicates that it is not only a way to accelerate training but can also improve overall data quality.

Yuhao Zhou, Yiheng Wang, Xuming He et al.

Scientific discoveries increasingly rely on complex multimodal reasoning based on information-intensive scientific data and domain-specific expertise. Empowered by expert-level scientific benchmarks, scientific Multimodal Large Language Models (MLLMs) hold the potential to significantly enhance this discovery process in realistic workflows. However, current scientific benchmarks mostly focus on evaluating the knowledge understanding capabilities of MLLMs, leading to an inadequate assessment of their perception and reasoning abilities. To address this gap, we present the Scientists' First Exam (SFE) benchmark, designed to evaluate the scientific cognitive capacities of MLLMs through three interconnected levels: scientific signal perception, scientific attribute understanding, scientific comparative reasoning. Specifically, SFE comprises 830 expert-verified VQA pairs across three question types, spanning 66 multimodal tasks across five high-value disciplines. Extensive experiments reveal that current state-of-the-art GPT-o3 and InternVL-3 achieve only 34.08% and 26.52% on SFE, highlighting significant room for MLLMs to improve in scientific realms. We hope the insights obtained in SFE will facilitate further developments in AI-enhanced scientific discoveries.

Jiaqi Wei, Yuejin Yang, Xiang Zhang et al. · tsinghua

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.

Jiatong Li, Junxian Li, Weida Wang et al.

Recently, Large Language Models (LLMs) have shown great potential in natural language-driven molecule discovery. However, existing datasets and benchmarks for molecule-text alignment are predominantly built on a one-to-one mapping, measuring LLMs' ability to retrieve a single, pre-defined answer, rather than their creative potential to generate diverse, yet equally valid, molecular candidates. To address this critical gap, we propose Speak-to-Structure (S^2-Bench}), the first benchmark to evaluate LLMs in open-domain natural language-driven molecule generation. S^2-Bench is specifically designed for one-to-many relationships, challenging LLMs to demonstrate genuine molecular understanding and generation capabilities. Our benchmark includes three key tasks: molecule editing (MolEdit), molecule optimization (MolOpt), and customized molecule generation (MolCustom), each probing a different aspect of molecule discovery. We also introduce OpenMolIns, a large-scale instruction tuning dataset that enables Llama-3.1-8B to surpass the most powerful LLMs like GPT-4o and Claude-3.5 on S^2-Bench. Our comprehensive evaluation of 28 LLMs shifts the focus from simple pattern recall to realistic molecular design, paving the way for more capable LLMs in natural language-driven molecule discovery.

Jiatong Li, Yunqing Liu, Wei Liu et al.

Molecule discovery is a pivotal research field, impacting everything from the medicines we take to the materials we use. Recently, Large Language Models (LLMs) have been widely adopted in molecule understanding and generation, yet the alignments between molecules and their corresponding captions remain a significant challenge. Previous endeavours often treat the molecule as a general SMILES string or molecular graph, neglecting the fine-grained alignments between the molecular sub-structures and the descriptive textual phrases, which are crucial for accurate and explainable predictions. In this case, we introduce MolReFlect, a novel teacher-student framework designed to contextually perform the molecule-caption alignments in a fine-grained way. Our approach initially leverages a larger teacher LLM to label the detailed alignments by directly extracting critical phrases from molecule captions or SMILES strings and implying them to corresponding sub-structures or characteristics. To refine these alignments, we propose In-Context Selective Reflection, which retrieves previous extraction results as context examples for teacher LLM to reflect and lets a smaller student LLM select from in-context reflection and previous extraction results. Finally, we enhance the learning process of the student LLM through Chain-of-Thought In-Context Molecule Tuning, integrating the fine-grained alignments and the reasoning processes within the Chain-of-Thought format. Our experimental results demonstrate that MolReFlect enables LLMs like Mistral-7B to significantly outperform the previous baselines, achieving SOTA performance on the ChEBI-20 dataset. This advancement not only enhances the generative capabilities of LLMs in the molecule-caption translation task, but also contributes to a more explainable framework.

Haiyuan Wan, Chen Yang, Junchi Yu et al.

Deep research agents have attracted growing attention for their potential to orchestrate multi-stage research workflows, spanning literature synthesis, methodological design, and empirical verification. Despite these strides, evaluating their research capability faithfully is rather challenging due to the difficulty of collecting frontier research questions that genuinely capture researchers' attention and intellectual curiosity. To address this gap, we introduce DeepResearch Arena, a benchmark grounded in academic seminars that capture rich expert discourse and interaction, better reflecting real-world research environments and reducing the risk of data leakage. To automatically construct DeepResearch Arena, we propose a Multi-Agent Hierarchical Task Generation (MAHTG) system that extracts research-worthy inspirations from seminar transcripts. The MAHTG system further translates research-worthy inspirations into high-quality research tasks, ensuring the traceability of research task formulation while filtering noise. With the MAHTG system, we curate DeepResearch Arena with over 10,000 high-quality research tasks from over 200 academic seminars, spanning 12 disciplines, such as literature, history, and science. Our extensive evaluation shows that DeepResearch Arena presents substantial challenges for current state-of-the-art agents, with clear performance gaps observed across different models.

Ming Hu, Chenglong Ma, Wei Li et al. · pku

Scientific Large Language Models (Sci-LLMs) are transforming how knowledge is represented, integrated, and applied in scientific research, yet their progress is shaped by the complex nature of scientific data. This survey presents a comprehensive, data-centric synthesis that reframes the development of Sci-LLMs as a co-evolution between models and their underlying data substrate. We formulate a unified taxonomy of scientific data and a hierarchical model of scientific knowledge, emphasizing the multimodal, cross-scale, and domain-specific challenges that differentiate scientific corpora from general natural language processing datasets. We systematically review recent Sci-LLMs, from general-purpose foundations to specialized models across diverse scientific disciplines, alongside an extensive analysis of over 270 pre-/post-training datasets, showing why Sci-LLMs pose distinct demands -- heterogeneous, multi-scale, uncertainty-laden corpora that require representations preserving domain invariance and enabling cross-modal reasoning. On evaluation, we examine over 190 benchmark datasets and trace a shift from static exams toward process- and discovery-oriented assessments with advanced evaluation protocols. These data-centric analyses highlight persistent issues in scientific data development and discuss emerging solutions involving semi-automated annotation pipelines and expert validation. Finally, we outline a paradigm shift toward closed-loop systems where autonomous agents based on Sci-LLMs actively experiment, validate, and contribute to a living, evolving knowledge base. Collectively, this work provides a roadmap for building trustworthy, continually evolving artificial intelligence (AI) systems that function as a true partner in accelerating scientific discovery.