Abstract: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.
Abstract:Obtaining 3D conformations of realistic polyatomic molecules at the quantum chemistry level remains challenging, and although recent machine learning advances offer promise, predicting large-molecule structures still requires substantial computational effort. Here, we introduce StoL, a diffusion model-based framework that enables rapid and knowledge-free generation of large molecular structures from small-molecule data. Remarkably, StoL assembles molecules in a LEGO-style fashion from scratch, without seeing the target molecules or any structures of comparable size during training. Given a SMILES input, it decomposes the molecule into chemically valid fragments, generates their 3D structures with a diffusion model trained on small molecules, and assembles them into diverse conformations. This fragment-based strategy eliminates the need for large-molecule training data while maintaining high scalability and transferability. By embedding chemical principles into key steps, StoL ensures faster convergence, chemically rational structures, and broad configurational coverage, as confirmed against DFT calculations.




Abstract:We introduce ReWiND, a framework for learning robot manipulation tasks solely from language instructions without per-task demonstrations. Standard reinforcement learning (RL) and imitation learning methods require expert supervision through human-designed reward functions or demonstrations for every new task. In contrast, ReWiND starts from a small demonstration dataset to learn: (1) a data-efficient, language-conditioned reward function that labels the dataset with rewards, and (2) a language-conditioned policy pre-trained with offline RL using these rewards. Given an unseen task variation, ReWiND fine-tunes the pre-trained policy using the learned reward function, requiring minimal online interaction. We show that ReWiND's reward model generalizes effectively to unseen tasks, outperforming baselines by up to 2.4x in reward generalization and policy alignment metrics. Finally, we demonstrate that ReWiND enables sample-efficient adaptation to new tasks, beating baselines by 2x in simulation and improving real-world pretrained bimanual policies by 5x, taking a step towards scalable, real-world robot learning. See website at https://rewind-reward.github.io/.




Abstract:Recent advances in LVLMs have improved vision-language understanding, but they still struggle with spatial perception, limiting their ability to reason about complex 3D scenes. Unlike previous approaches that incorporate 3D representations into models to improve spatial understanding, we aim to unlock the potential of VLMs by leveraging spatially relevant image data. To this end, we introduce a novel 2D spatial data generation and annotation pipeline built upon scene data with 3D ground-truth. This pipeline enables the creation of a diverse set of spatial tasks, ranging from basic perception tasks to more complex reasoning tasks. Leveraging this pipeline, we construct SPAR-7M, a large-scale dataset generated from thousands of scenes across multiple public datasets. In addition, we introduce SPAR-Bench, a benchmark designed to offer a more comprehensive evaluation of spatial capabilities compared to existing spatial benchmarks, supporting both single-view and multi-view inputs. Training on both SPAR-7M and large-scale 2D datasets enables our models to achieve state-of-the-art performance on 2D spatial benchmarks. Further fine-tuning on 3D task-specific datasets yields competitive results, underscoring the effectiveness of our dataset in enhancing spatial reasoning.
Abstract:Anchor-based 3D Gaussian splatting (3D-GS) exploits anchor features in 3D Gaussian prediction, which has achieved impressive 3D rendering quality with reduced Gaussian redundancy. On the other hand, it often encounters the dilemma among anchor features, model size, and rendering quality - large anchor features lead to large 3D models and high-quality rendering whereas reducing anchor features degrades Gaussian attribute prediction which leads to clear artifacts in the rendered textures and geometries. We design SOGS, an anchor-based 3D-GS technique that introduces second-order anchors to achieve superior rendering quality and reduced anchor features and model size simultaneously. Specifically, SOGS incorporates covariance-based second-order statistics and correlation across feature dimensions to augment features within each anchor, compensating for the reduced feature size and improving rendering quality effectively. In addition, it introduces a selective gradient loss to enhance the optimization of scene textures and scene geometries, leading to high-quality rendering with small anchor features. Extensive experiments over multiple widely adopted benchmarks show that SOGS achieves superior rendering quality in novel view synthesis with clearly reduced model size.




Abstract:With the advancement of generative artificial intelligence, previous studies have achieved the task of generating aesthetic images from hand-drawn sketches, fulfilling the public's needs for drawing. However, these methods are limited to static images and lack the ability to control video animation generation using hand-drawn sketches. To address this gap, we propose VidSketch, the first method capable of generating high-quality video animations directly from any number of hand-drawn sketches and simple text prompts, bridging the divide between ordinary users and professional artists. Specifically, our method introduces a Level-Based Sketch Control Strategy to automatically adjust the guidance strength of sketches during the generation process, accommodating users with varying drawing skills. Furthermore, a TempSpatial Attention mechanism is designed to enhance the spatiotemporal consistency of generated video animations, significantly improving the coherence across frames. You can find more detailed cases on our official website.




Abstract:With the rapid development of AIGC technology, significant progress has been made in diffusion model-based technologies for text-to-image (T2I) and text-to-video (T2V). In recent years, a few studies have introduced the strategy of Direct Preference Optimization (DPO) into T2I tasks, significantly enhancing human preferences in generated images. However, existing T2V generation methods lack a well-formed pipeline with exact loss function to guide the alignment of generated videos with human preferences using DPO strategies. Additionally, challenges such as the scarcity of paired video preference data hinder effective model training. At the same time, the lack of training datasets poses a risk of insufficient flexibility and poor video generation quality in the generated videos. Based on those problems, our work proposes three targeted solutions in sequence. 1) Our work is the first to introduce the DPO strategy into the T2V tasks. By deriving a carefully structured loss function, we utilize human feedback to align video generation with human preferences. We refer to this new method as HuViDPO. 2) Our work constructs small-scale human preference datasets for each action category and fine-tune this model, improving the aesthetic quality of the generated videos while reducing training costs. 3) We adopt a First-Frame-Conditioned strategy, leveraging the rich in formation from the first frame to guide the generation of subsequent frames, enhancing flexibility in video generation. At the same time, we employ a SparseCausal Attention mechanism to enhance the quality of the generated videos.More details and examples can be accessed on our website: https://tankowa.github.io/HuViDPO. github.io/.
Abstract:Legged robots have shown promise in locomotion complex environments, but recovery from falls on challenging terrains remains a significant hurdle. This paper presents an Adaptive Fall Recovery (AFR) controller for quadrupedal robots on challenging terrains such as rocky, breams, steep slopes, and irregular stones. We leverage deep reinforcement learning to train the AFR, which can adapt to a wide range of terrain geometries and physical properties. Our method demonstrates improvements over existing approaches, showing promising results in recovery scenarios on challenging terrains. We trained our method in Isaac Gym using the Go1 and directly transferred it to several mainstream quadrupedal platforms, such as Spot and ANYmal. Additionally, we validated the controller's effectiveness in Gazebo. Our results indicate that the AFR controller generalizes well to complex terrains and outperforms baseline methods in terms of success rate and recovery speed.




Abstract:3D Gaussian splatting has achieved very impressive performance in real-time novel view synthesis. However, it often suffers from over-reconstruction during Gaussian densification where high-variance image regions are covered by a few large Gaussians only, leading to blur and artifacts in the rendered images. We design a progressive frequency regularization (FreGS) technique to tackle the over-reconstruction issue within the frequency space. Specifically, FreGS performs coarse-to-fine Gaussian densification by exploiting low-to-high frequency components that can be easily extracted with low-pass and high-pass filters in the Fourier space. By minimizing the discrepancy between the frequency spectrum of the rendered image and the corresponding ground truth, it achieves high-quality Gaussian densification and alleviates the over-reconstruction of Gaussian splatting effectively. Experiments over multiple widely adopted benchmarks (e.g., Mip-NeRF360, Tanks-and-Temples and Deep Blending) show that FreGS achieves superior novel view synthesis and outperforms the state-of-the-art consistently.




Abstract:Generating multi-camera street-view videos is critical for augmenting autonomous driving datasets, addressing the urgent demand for extensive and varied data. Due to the limitations in diversity and challenges in handling lighting conditions, traditional rendering-based methods are increasingly being supplanted by diffusion-based methods. However, a significant challenge in diffusion-based methods is ensuring that the generated sensor data preserve both intra-world consistency and inter-sensor coherence. To address these challenges, we combine an additional explicit world volume and propose the World Volume-aware Multi-camera Driving Scene Generator (WoVoGen). This system is specifically designed to leverage 4D world volume as a foundational element for video generation. Our model operates in two distinct phases: (i) envisioning the future 4D temporal world volume based on vehicle control sequences, and (ii) generating multi-camera videos, informed by this envisioned 4D temporal world volume and sensor interconnectivity. The incorporation of the 4D world volume empowers WoVoGen not only to generate high-quality street-view videos in response to vehicle control inputs but also to facilitate scene editing tasks.