The size, diversity, and quality of pretraining datasets critically determine the generalization ability of foundation models. Despite their growing importance in chemoinformatics, the effectiveness of molecular representation learning has been hindered by limitations in existing small molecule datasets. To address this gap, we present MolPILE, large-scale, diverse, and rigorously curated collection of 222 million compounds, constructed from 6 large-scale databases using an automated curation pipeline. We present a comprehensive analysis of current pre-training datasets, highlighting considerable shortcomings for training ML models, and demonstrate how retraining existing models on MolPILE yields improvements in generalization performance. This work provides a standardized resource for model training, addressing the pressing need for an ImageNet-like dataset in molecular chemistry. Modern chemoinformatics relies extensively on machine learning (ML) methods, particularly for virtual ...

Accurate scene perception is critical for vision-based robotic manipulation. Existing approaches typically follow either a Vision-to-Action (V-A) paradigm, predicting actions directly from visual inputs, or a Vision-to-3D-to-Action (V-3D-A) paradigm, leveraging intermediate 3D representations. However, these methods often struggle with action inaccuracies due to the complexity and dynamic nature of manipulation scenes. In this paper, we adopt a V-4D-A framework that enables direct action reasoning from motion-aware 4D representations via a Gaussian Action Field (GAF). GAF extends 3D Gaussian Splatting (3DGS) by incorporating learnable motion attributes, allowing 4D modeling of dynamic scenes and manipulation actions. To learn time-varying scene geometry and action-aware robot motion, GAF provides three interrelated outputs: reconstruction of the current scene, prediction of future frames, and estimation of init action via Gaussian motion. Furthermore, we employ an action-vision-aligned denoising framework, conditioned on a unified representation that combines the init action and the Gaussian perception, both generated by the GAF, to further obtain more precise actions. Extensive experiments demonstrate significant improvements, with GAF achieving +11.5385 dB PSNR, +0.3864 SSIM and -0.5574 LPIPS improvements in reconstruction quality, while boosting the average +7.3% success rate in robotic manipulation tasks over state-of-the-art methods.

Large language models (LLMs) have recently shown strong progress on scientific reasoning, yet two major bottlenecks remain. First, explicit retrieval fragments reasoning, imposing a hidden "tool tax" of extra tokens and steps. Second, multi-agent pipelines often dilute strong solutions by averaging across all candidates. We address these challenges with a unified framework that combines implicit retrieval and structured collaboration. At its foundation, a Monitor-based retrieval module operates at the token level, integrating external knowledge with minimal disruption to reasoning. On top of this substrate, Hierarchical Solution Refinement (HSR) iteratively designates each candidate as an anchor to be repaired by its peers, while Quality-Aware Iterative Reasoning (QAIR) adapts refinement to solution quality. On Humanity's Last Exam (HLE) Bio/Chem Gold, our framework achieves 48.3\% accuracy -- the highest reported to date, surpassing the strongest agent baseline by 13.4 points and leading frontier LLMs by up to 18.1 points, while simultaneously reducing token usage by 53.5\% and agent steps by 43.7\%. Results on SuperGPQA and TRQA confirm robustness across domains. Error analysis shows that reasoning failures and knowledge gaps co-occur in over 85\% of cases, while diversity analysis reveals a clear dichotomy: retrieval tasks benefit from solution variety, whereas reasoning tasks favor consensus. Together, these findings demonstrate how implicit augmentation and structured refinement overcome the inefficiencies of explicit tool use and uniform aggregation. Code is available at: https://github.com/tangxiangru/Eigen-1.

Accurate surface geometry representation is crucial in 3D visual computing. Explicit representations, such as polygonal meshes, and implicit representations, like signed distance functions, each have distinct advantages, making efficient conversions between them increasingly important. Conventional surface extraction methods for implicit representations, such as the widely used Marching Cubes algorithm, rely on spatial decomposition and sampling, leading to inaccuracies due to fixed and limited resolution. We introduce a novel approach for analytically extracting surfaces from neural implicit functions. Our method operates natively in parallel and can navigate large neural architectures. By leveraging the fact that each neuron partitions the domain, we develop a depth-first traversal strategy to efficiently track the encoded surface. The resulting meshes faithfully capture the full geometric information from the network without ad-hoc spatial discretization, achieving unprecedented accuracy across diverse shapes and network architectures while maintaining competitive speed.