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Sep 9

E3VS-Bench: A Benchmark for Viewpoint-Dependent Active Perception in 3D Gaussian Splatting Scenes

Visual search in 3D environments requires embodied agents to actively explore their surroundings and acquire task-relevant evidence. However, existing visual search and embodied AI benchmarks, including EQA, typically rely on static observations or constrained egocentric motion, and thus do not explicitly evaluate fine-grained viewpoint-dependent phenomena that arise under unrestricted 5-DoF viewpoint control in real-world 3D environments, such as visibility changes caused by vertical viewpoint shifts, revealing contents inside containers, and disambiguating object attributes that are only observable from specific angles. To address this limitation, we introduce {E3VS-Bench}, a benchmark for embodied 3D visual search where agents must control their viewpoints in 5-DoF to gather viewpoint-dependent evidence for question answering. E3VS-Bench consists of 99 high-fidelity 3D scenes reconstructed using 3D Gaussian Splatting and 2,014 question-driven episodes. 3D Gaussian Splatting enables photorealistic free-viewpoint rendering that preserves fine-grained visual details (e.g., small text and subtle attributes) often degraded in mesh-based simulators, thereby allowing the construction of questions that cannot be answered from a single view and instead require active inspection across viewpoints in 5-DoF. We evaluate multiple state-of-the-art VLMs and compare their performance with humans. Despite strong 2D reasoning ability, all models exhibit a substantial gap from humans, highlighting limitations in active perception and coherent viewpoint planning specifically under full 5-DoF viewpoint changes.

  • 9 authors
·
Apr 22

Foundation Models for Discovery and Exploration in Chemical Space

Accurate prediction of atomistic, thermodynamic, and kinetic properties from molecular structures underpins materials innovation. Existing computational and experimental approaches lack the scalability required to efficiently navigate chemical space. Scientific foundation models trained on large unlabeled datasets offer a path toward exploring chemical space across diverse application domains. Here we develop MIST, a family of molecular foundation models with up to an order of magnitude more parameters and data than prior works. Trained using a novel tokenization scheme that comprehensively captures nuclear, electronic, and geometric information, MIST learns from a diverse range of molecules. MIST models have been fine-tuned to predict more than 400 structure -- property relationships and match or exceed state-of-the-art performance across benchmarks spanning physiology, electrochemistry, and quantum chemistry. We demonstrate the ability of these models to solve real-world problems across chemical space, including multiobjective electrolyte solvent screening, olfactory perception mapping, isotope half-life prediction, stereochemical reasoning for chiral organometallic compounds, and binary and multi-component mixture property prediction. Probing MIST models using mechanistic interpretability methods reveals identifiable patterns and trends not explicitly present in the training data, suggesting that the models learn generalizable scientific concepts. We formulate hyperparameter-penalized Bayesian neural scaling laws and use them to reduce the computational cost of model development by an order of magnitude. The methods and findings presented here represent a significant step toward accelerating materials discovery, design, and optimization using foundation models and provide valuable guidance for training compute-optimal scientific foundation models.

  • 22 authors
·
Oct 20, 2025