Daily Papers

Multimodal Large Language Models (MLLMs) have achieved remarkable progress in various multimodal tasks. To pursue higher intelligence in space, MLLMs require integrating multiple atomic spatial capabilities to handle complex and dynamic tasks. However, existing benchmarks struggle to comprehensively evaluate the spatial intelligence of common MLLMs from the atomic level to the compositional level. To fill this gap, we present SpaCE-10, a comprehensive benchmark for compositional spatial evaluations. In SpaCE-10, we define 10 atomic spatial capabilities, which are combined to form 8 compositional capabilities. Based on these definitions, we propose a novel hierarchical annotation pipeline to generate high-quality and diverse question-answer (QA) pairs. With over 150+ hours of human expert effort, we obtain over 5k QA pairs for 811 real indoor scenes in SpaCE-10, which covers various evaluation settings like point cloud input and multi-choice QA. We conduct an extensive evaluation of common MLLMs on SpaCE-10 and find that even the most advanced MLLM still lags behind humans by large margins. Through our careful study, we also draw several significant findings that benefit the MLLM community. For example, we reveal that the shortcoming of counting capability greatly limits the compositional spatial capabilities of existing MLLMs. The evaluation code and benchmark datasets are available at https://github.com/Cuzyoung/SpaCE-10.

Embodied capabilities refer to a suite of fundamental abilities for an agent to perceive, comprehend, and interact with the physical world. While multimodal large language models (MLLMs) show promise as embodied agents, a thorough and systematic evaluation of their embodied capabilities remains underexplored, as existing benchmarks primarily focus on specific domains such as planning or spatial understanding. To bridge this gap, we introduce BEAR, a comprehensive and fine-grained benchmark that evaluates MLLMs on atomic embodied capabilities. BEAR comprises 4,469 interleaved image-video-text entries across 14 domains in 6 categories, including tasks from low-level pointing, trajectory understanding, spatial reasoning, to high-level planning. Extensive evaluation results of 20 representative MLLMs reveal their persistent limitations across all domains of embodied capabilities. To tackle the shortfall, we propose BEAR-Agent, a multimodal conversable agent that integrates pretrained vision models to strengthen MLLM perception, 3D understanding, and planning capabilities. It substantially enhances MLLM performance across diverse embodied capabilities on BEAR, yielding a 9.12% absolute gain and a relative improvement of 17.5% on GPT-5. Furthermore, our experiments indicate that improving MLLM embodied capabilities can benefit embodied tasks in simulated environments. Project website: https://bear-official66.github.io/

Multimodal Large Language Models (MLLMs) excel at simple vision-language tasks but struggle when faced with complex tasks that require multiple capabilities, such as simultaneously recognizing objects, counting them, and understanding their spatial relationships. This might be partially the result of the fact that Visual Instruction Tuning (VIT), a critical training step for MLLMs, has traditionally focused on scaling data volume, but not the compositional complexity of training examples. We propose COMPACT (COMPositional Atomic-to-complex visual Capability Tuning), which generates a training dataset explicitly controlling for the compositional complexity of the training examples. The data from COMPACT allows MLLMs to train on combinations of atomic capabilities to learn complex capabilities more efficiently. Across all benchmarks, COMPACT achieves comparable performance to the LLaVA-665k VIT while using less than 10% of its data budget, and even outperforms it on several, especially those involving complex multi-capability tasks. For example, COMPACT achieves substantial 83.3% improvement on MMStar and 94.0% improvement on MM-Vet compared to the full-scale VIT on particularly complex questions that require four or more atomic capabilities. COMPACT offers a scalable, data-efficient, visual compositional tuning recipe to improve on complex visual-language tasks.

Leveraging Multi-modal Large Language Models (MLLMs) to create embodied agents offers a promising avenue for tackling real-world tasks. While language-centric embodied agents have garnered substantial attention, MLLM-based embodied agents remain underexplored due to the lack of comprehensive evaluation frameworks. To bridge this gap, we introduce EmbodiedBench, an extensive benchmark designed to evaluate vision-driven embodied agents. EmbodiedBench features: (1) a diverse set of 1,128 testing tasks across four environments, ranging from high-level semantic tasks (e.g., household) to low-level tasks involving atomic actions (e.g., navigation and manipulation); and (2) six meticulously curated subsets evaluating essential agent capabilities like commonsense reasoning, complex instruction understanding, spatial awareness, visual perception, and long-term planning. Through extensive experiments, we evaluated 13 leading proprietary and open-source MLLMs within EmbodiedBench. Our findings reveal that: MLLMs excel at high-level tasks but struggle with low-level manipulation, with the best model, GPT-4o, scoring only 28.9% on average. EmbodiedBench provides a multifaceted standardized evaluation platform that not only highlights existing challenges but also offers valuable insights to advance MLLM-based embodied agents. Our code is available at https://embodiedbench.github.io.

We introduce Orb-v3, the next generation of the Orb family of universal interatomic potentials. Models in this family expand the performance-speed-memory Pareto frontier, offering near SoTA performance across a range of evaluations with a >10x reduction in latency and > 8x reduction in memory. Our experiments systematically traverse this frontier, charting the trade-off induced by roto-equivariance, conservatism and graph sparsity. Contrary to recent literature, we find that non-equivariant, non-conservative architectures can accurately model physical properties, including those which require higher-order derivatives of the potential energy surface. This model release is guided by the principle that the most valuable foundation models for atomic simulation will excel on all fronts: accuracy, latency and system size scalability. The reward for doing so is a new era of computational chemistry driven by high-throughput and mesoscale all-atom simulations.

The Theory of Multiple Intelligences underscores the hierarchical nature of cognitive capabilities. To advance Spatial Artificial Intelligence, we pioneer a psychometric framework defining five Basic Spatial Abilities (BSAs) in Visual Language Models (VLMs): Spatial Perception, Spatial Relation, Spatial Orientation, Mental Rotation, and Spatial Visualization. Benchmarking 13 mainstream VLMs through nine validated psychometric experiments reveals significant gaps versus humans (average score 24.95 vs. 68.38), with three key findings: 1) VLMs mirror human hierarchies (strongest in 2D orientation, weakest in 3D rotation) with independent BSAs (Pearson's r<0.4); 2) Smaller models such as Qwen2-VL-7B surpass larger counterparts, with Qwen leading (30.82) and InternVL2 lagging (19.6); 3) Interventions like chain-of-thought (0.100 accuracy gain) and 5-shot training (0.259 improvement) show limits from architectural constraints. Identified barriers include weak geometry encoding and missing dynamic simulation. By linking psychometric BSAs to VLM capabilities, we provide a diagnostic toolkit for spatial intelligence evaluation, methodological foundations for embodied AI development, and a cognitive science-informed roadmap for achieving human-like spatial intelligence.

Spatial intelligence (SI) represents a cognitive ability encompassing the visualization, manipulation, and reasoning about spatial relationships, underpinning disciplines from neuroscience to robotics. We introduce SITE, a benchmark dataset towards SI Thorough Evaluation in a standardized format of multi-choice visual question-answering, designed to assess large vision-language models' spatial intelligence across diverse visual modalities (single-image, multi-image, and video) and SI factors (figural to environmental scales, spatial visualization and orientation, intrinsic and extrinsic, static and dynamic). Our approach to curating the benchmark combines a bottom-up survey about 31 existing datasets and a top-down strategy drawing upon three classification systems in cognitive science, which prompt us to design two novel types of tasks about view-taking and dynamic scenes. Extensive experiments reveal that leading models fall behind human experts especially in spatial orientation, a fundamental SI factor. Moreover, we demonstrate a positive correlation between a model's spatial reasoning proficiency and its performance on an embodied AI task.

Vision language models (VLMs) have demonstrated impressive performance across a wide range of downstream tasks. However, their proficiency in spatial reasoning remains limited, despite its crucial role in tasks involving navigation and interaction with physical environments. Specifically, most of these tasks rely on the core spatial reasoning capabilities in two-dimensional (2D) environments, and our evaluation reveals that state-of-the-art VLMs frequently generate implausible and incorrect responses to composite spatial reasoning problems, including simple pathfinding tasks that humans can solve effortlessly at a glance. To address this, we explore an effective approach to enhance 2D spatial reasoning within VLMs by training the model solely on basic spatial capabilities. We begin by disentangling the key components of 2D spatial reasoning: direction comprehension, distance estimation, and localization. Our central hypothesis is that mastering these basic spatial capabilities can significantly enhance a model's performance on composite spatial tasks requiring advanced spatial understanding and combinatorial problem-solving, with generalized improvements in visual-spatial tasks. To investigate this hypothesis, we introduce Sparkle, a framework that fine-tunes VLMs on these three basic spatial capabilities by synthetic data generation and targeted supervision to form an instruction dataset for each capability. Our experiments demonstrate that VLMs fine-tuned with Sparkle achieve significant performance gains, not only in the basic tasks themselves but also in generalizing to composite and out-of-distribution spatial reasoning tasks. These findings underscore the effectiveness of mastering basic spatial capabilities in enhancing composite spatial problem-solving, offering insights into systematic strategies for improving VLMs' spatial reasoning capabilities.

End-to-end learning of robot control policies, structured as neural networks, has emerged as a promising approach to robotic manipulation. To complete many common tasks, relevant objects are required to pass in and out of a robot's field of view. In these settings, spatial memory - the ability to remember the spatial composition of the scene - is an important competency. However, building such mechanisms into robot learning systems remains an open research problem. We introduce mindmap (Spatial Memory in Deep Feature Maps for 3D Action Policies), a 3D diffusion policy that generates robot trajectories based on a semantic 3D reconstruction of the environment. We show in simulation experiments that our approach is effective at solving tasks where state-of-the-art approaches without memory mechanisms struggle. We release our reconstruction system, training code, and evaluation tasks to spur research in this direction.

For robotic manipulation, existing robotics datasets and simulation benchmarks predominantly cater to robot-arm platforms. However, for humanoid robots equipped with dual arms and dexterous hands, simulation tasks and high-quality demonstrations are notably lacking. Bimanual dexterous manipulation is inherently more complex, as it requires coordinated arm movements and hand operations, making autonomous data collection challenging. This paper presents HumanoidGen, an automated task creation and demonstration collection framework that leverages atomic dexterous operations and LLM reasoning to generate relational constraints. Specifically, we provide spatial annotations for both assets and dexterous hands based on the atomic operations, and perform an LLM planner to generate a chain of actionable spatial constraints for arm movements based on object affordances and scenes. To further improve planning ability, we employ a variant of Monte Carlo tree search to enhance LLM reasoning for long-horizon tasks and insufficient annotation. In experiments, we create a novel benchmark with augmented scenarios to evaluate the quality of the collected data. The results show that the performance of the 2D and 3D diffusion policies can scale with the generated dataset. Project page is https://openhumanoidgen.github.io.

The mechanism by which RL contributes to reasoning capabilities-whether it incentivizes the synthesis of new skills or merely amplifies existing behaviors-remains a subject of intense debate. In this work, we investigate this question through the lens of Complementary Reasoning, a complex task that requires integrating internal parametric knowledge with external contextual information. Using a controlled synthetic dataset of human biographies, we strictly decouple this ability into two atomic skills: Parametric Reasoning (relying on internal knowledge) and Contextual Reasoning (depending on external information). To rigorously assess capability boundaries, we evaluate generalization across three distinct levels of difficulty: I.I.D., Composition, and Zero-shot settings. We find that while SFT is sufficient for in-distribution performance, it struggles with O.O.D. generalization, particularly in Zero-shot settings where relational combinations are novel. Crucially, we identify the SFT Generalization Paradox: Models supervised solely on the composite task achieve near-perfect in-distribution accuracy but collapse on out-of-distribution generalization, indicating their reliance on rote memorization of path shortcuts. In contrast, we find that RL acts as a reasoning synthesizer rather than a probability amplifier. However, we uncover a strict atomic prerequisite: RL can only synthesize these complex strategies if the base model has first mastered the independent atomic skills (Parametric and Contextual) via SFT. These findings challenge the view of RL as a mere amplifier, suggesting that given sufficient atomic foundations, RL can actively synthesize complex reasoning strategies from learned primitives without explicit supervision on such complex strategies. This indicates that decoupled atomic training followed by RL offers a scalable path to generalization for complex reasoning tasks.

We report on the trapping of single rubidium atoms in large arrays of optical tweezers comprising up to 2088 sites in a cryogenic environment at 6 K. Our approach relies on the use of microscope objectives that are in-vacuum but at room temperature, in combination with windowless thermal shields into which the objectives are protruding to ensure a cryogenic environment for the trapped atoms. To achieve enough optical power for efficient trapping, we combine two lasers at slightly different wavelengths. We discuss the performance and limitations of our design. Finally, we demonstrate atom-by-atom rearrangement of an 828-atom target array using moving optical tweezers controlled by a field-programmable gate array.

Despite recent advances in multimodal content generation enabled by vision-language models (VLMs), their ability to reason about and generate structured 3D scenes remains largely underexplored. This limitation constrains their utility in spatially grounded tasks such as embodied AI, immersive simulations, and interactive 3D applications. We introduce a new paradigm that enables VLMs to generate, understand, and edit complex 3D environments by injecting a continually evolving spatial context. Constructed from multimodal input, this context consists of three components: a scene portrait that provides a high-level semantic blueprint, a semantically labeled point cloud capturing object-level geometry, and a scene hypergraph that encodes rich spatial relationships, including unary, binary, and higher-order constraints. Together, these components provide the VLM with a structured, geometry-aware working memory that integrates its inherent multimodal reasoning capabilities with structured 3D understanding for effective spatial reasoning. Building on this foundation, we develop an agentic 3D scene generation pipeline in which the VLM iteratively reads from and updates the spatial context. The pipeline features high-quality asset generation with geometric restoration, environment setup with automatic verification, and ergonomic adjustment guided by the scene hypergraph. Experiments show that our framework can handle diverse and challenging inputs, achieving a level of generalization not observed in prior work. Further results demonstrate that injecting spatial context enables VLMs to perform downstream tasks such as interactive scene editing and path planning, suggesting strong potential for spatially intelligent systems in computer graphics, 3D vision, and embodied applications.

Not yet. We present SPACE, a benchmark that systematically evaluates spatial cognition in frontier models. Our benchmark builds on decades of research in cognitive science. It evaluates large-scale mapping abilities that are brought to bear when an organism traverses physical environments, smaller-scale reasoning about object shapes and layouts, and cognitive infrastructure such as spatial attention and memory. For many tasks, we instantiate parallel presentations via text and images, allowing us to benchmark both large language models and large multimodal models. Results suggest that contemporary frontier models fall short of the spatial intelligence of animals, performing near chance level on a number of classic tests of animal cognition.

The ability to reason about spatial dynamics is a cornerstone of intelligence, yet current research overlooks the human intent behind spatial changes. To address these limitations, we introduce Teleo-Spatial Intelligence (TSI), a new paradigm that unifies two critical pillars: Physical-Dynamic Reasoning--understanding the physical principles of object interactions--and Intent-Driven Reasoning--inferring the human goals behind these actions. To catalyze research in TSI, we present EscherVerse, consisting of a large-scale, open-world benchmark (Escher-Bench), a dataset (Escher-35k), and models (Escher series). Derived from real-world videos, EscherVerse moves beyond constrained settings to explicitly evaluate an agent's ability to reason about object permanence, state transitions, and trajectory prediction in dynamic, human-centric scenarios. Crucially, it is the first benchmark to systematically assess Intent-Driven Reasoning, challenging models to connect physical events to their underlying human purposes. Our work, including a novel data curation pipeline, provides a foundational resource to advance spatial intelligence from passive scene description toward a holistic, purpose-driven understanding of the world.

Spatial reasoning ability is crucial for Vision Language Models (VLMs) to support real-world applications in diverse domains including robotics, augmented reality, and autonomous navigation. Unfortunately, existing benchmarks are inadequate in assessing spatial reasoning ability, especially the intrinsic-dynamic spatial reasoning which is a fundamental aspect of human spatial cognition. In this paper, we propose a unified benchmark, Spatial-DISE, based on a cognitively grounded taxonomy that categorizes tasks into four fundamental quadrants: Intrinsic-Static, Intrinsic-Dynamic, Extrinsic-Static, and Extrinsic-Dynamic spatial reasoning. Moreover, to address the issue of data scarcity, we develop a scalable and automated pipeline to generate diverse and verifiable spatial reasoning questions, resulting in a new Spatial-DISE dataset that includes Spatial-DISE Bench (559 evaluation VQA pairs) and Spatial-DISE-12K (12K+ training VQA pairs). Our comprehensive evaluation across 28 state-of-the-art VLMs reveals that, current VLMs have a large and consistent gap to human competence, especially on multi-step multi-view spatial reasoning. Spatial-DISE offers a robust framework, valuable dataset, and clear direction for future research toward human-like spatial intelligence. Benchmark, dataset, and code will be publicly released.

Cognitive science suggests that spatial ability develops progressively-from perception to reasoning and interaction. Yet in multimodal LLMs (MLLMs), this hierarchy remains poorly understood, as most studies focus on a narrow set of tasks. We introduce SpatialTree, a cognitive-science-inspired hierarchy that organizes spatial abilities into four levels: low-level perception (L1), mental mapping (L2), simulation (L3), and agentic competence (L4). Based on this taxonomy, we construct the first capability-centric hierarchical benchmark, thoroughly evaluating mainstream MLLMs across 27 sub-abilities. The evaluation results reveal a clear structure: L1 skills are largely orthogonal, whereas higher-level skills are strongly correlated, indicating increasing interdependency. Through targeted supervised fine-tuning, we uncover a surprising transfer dynamic-negative transfer within L1, but strong cross-level transfer from low- to high-level abilities with notable synergy. Finally, we explore how to improve the entire hierarchy. We find that naive RL that encourages extensive "thinking" is unreliable: it helps complex reasoning but hurts intuitive perception. We propose a simple auto-think strategy that suppresses unnecessary deliberation, enabling RL to consistently improve performance across all levels. By building SpatialTree, we provide a proof-of-concept framework for understanding and systematically scaling spatial abilities in MLLMs.

Spatial cognition is fundamental to real-world multimodal intelligence, allowing models to effectively interact with the physical environment. While multimodal large language models (MLLMs) have made significant strides, existing benchmarks often oversimplify spatial cognition, reducing it to a single-dimensional metric, which fails to capture the hierarchical structure and interdependence of spatial abilities. To address this gap, we propose a hierarchical spatial cognition framework that decomposes spatial intelligence into five progressively complex levels from basic observation to high-level planning. Building upon this taxonomy, we construct SpatialBench, a large-scale, fine-grained benchmark covering 15 tasks aligned with these cognitive levels. To provide a unified evaluation across heterogeneous tasks, we further introduce a high-level capability-oriented metric that reliably assesses a model's overall spatial reasoning ability. Extensive experiments over massive MLLMs reveal distinct performance stratification across cognitive levels: models exhibit strong perceptual grounding yet remain limited in symbolic reasoning, causal inference, and planning. Additional human tests demonstrate that humans perform selective, goal-directed abstraction, while MLLMs tend to over-attend to surface details without coherent spatial intent. Our work establishes the first systematic framework for measuring hierarchical spatial cognition in MLLMs, laying the foundation for future spatially intelligent systems.

This paper introduces the concept of Microscopic Spatial Intelligence (MiSI), the capability to perceive and reason about the spatial relationships of invisible microscopic entities, which is fundamental to scientific discovery. To assess the potential of Vision-Language Models (VLMs) in this domain, we propose a systematic benchmark framework MiSI-Bench. This framework features over 163,000 question-answer pairs and 587,000 images derived from approximately 4,000 molecular structures, covering nine complementary tasks that evaluate abilities ranging from elementary spatial transformations to complex relational identifications. Experimental results reveal that current state-of-the-art VLMs perform significantly below human level on this benchmark. However, a fine-tuned 7B model demonstrates substantial potential, even surpassing humans in spatial transformation tasks, while its poor performance in scientifically-grounded tasks like hydrogen bond recognition underscores the necessity of integrating explicit domain knowledge for progress toward scientific AGI. The datasets are available at https://huggingface.co/datasets/zongzhao/MiSI-bench.

Spatial reasoning is an essential problem in embodied AI research. Efforts to enhance spatial reasoning abilities through supplementary spatial data and fine-tuning have proven limited and ineffective when addressing complex embodied tasks, largely due to their dependence on language-based outputs. While some approaches have introduced a point-based action space to mitigate this issue, they fall short in managing more intricate tasks within complex environments. This deficiency arises from their failure to fully exploit the inherent thinking and reasoning capabilities that are fundamental strengths of Vision-Language Models (VLMs). To address these limitations, we propose a novel approach named SpatialCoT, specifically designed to bolster the spatial reasoning capabilities of VLMs. Our approach comprises two stages: spatial coordinate bi-directional alignment, which aligns vision-language inputs with spatial coordinates, and chain-of-thought spatial grounding, which harnesses the reasoning capabilities of language models for advanced spatial reasoning. We evaluate SpatialCoT on challenging navigation and manipulation tasks, both in simulation and real-world settings. Experimental results demonstrate that our method significantly outperforms previous state-of-the-art approaches in both tasks.

The ability to quickly and accurately compute properties from atomic simulations is critical for advancing a large number of applications in chemistry and materials science including drug discovery, energy storage, and semiconductor manufacturing. To address this need, Meta FAIR presents a family of Universal Models for Atoms (UMA), designed to push the frontier of speed, accuracy, and generalization. UMA models are trained on half a billion unique 3D atomic structures (the largest training runs to date) by compiling data across multiple chemical domains, e.g. molecules, materials, and catalysts. We develop empirical scaling laws to help understand how to increase model capacity alongside dataset size to achieve the best accuracy. The UMA small and medium models utilize a novel architectural design we refer to as mixture of linear experts that enables increasing model capacity without sacrificing speed. For example, UMA-medium has 1.4B parameters but only ~50M active parameters per atomic structure. We evaluate UMA models on a diverse set of applications across multiple domains and find that, remarkably, a single model without any fine-tuning can perform similarly or better than specialized models. We are releasing the UMA code, weights, and associated data to accelerate computational workflows and enable the community to continue to build increasingly capable AI models.

Capturing spatial relationships from visual inputs is a cornerstone of human-like general intelligence. Several previous studies have tried to enhance the spatial awareness of Vision-Language Models (VLMs) by adding extra expert encoders, which brings extra overhead and usually harms general capabilities. To enhance the spatial ability in general architectures, we introduce Visual Spatial Tuning (VST), a comprehensive framework to cultivate VLMs with human-like visuospatial abilities, from spatial perception to reasoning. We first attempt to enhance spatial perception in VLMs by constructing a large-scale dataset termed VST-P, which comprises 4.1 million samples spanning 19 skills across single views, multiple images, and videos. Then, we present VST-R, a curated dataset with 135K samples that instruct models to reason in space. In particular, we adopt a progressive training pipeline: supervised fine-tuning to build foundational spatial knowledge, followed by reinforcement learning to further improve spatial reasoning abilities. Without the side-effect to general capabilities, the proposed VST consistently achieves state-of-the-art results on several spatial benchmarks, including 34.8% on MMSI-Bench and 61.2% on VSIBench. It turns out that the Vision-Language-Action models can be significantly enhanced with the proposed spatial tuning paradigm, paving the way for more physically grounded AI.

Over the past year, the development of large language models (LLMs) has brought spatial intelligence into focus, with much attention on vision-based embodied intelligence. However, spatial intelligence spans a broader range of disciplines and scales, from navigation and urban planning to remote sensing and earth science. What are the differences and connections between spatial intelligence across these fields? In this paper, we first review human spatial cognition and its implications for spatial intelligence in LLMs. We then examine spatial memory, knowledge representations, and abstract reasoning in LLMs, highlighting their roles and connections. Finally, we analyze spatial intelligence across scales -- from embodied to urban and global levels -- following a framework that progresses from spatial memory and understanding to spatial reasoning and intelligence. Through this survey, we aim to provide insights into interdisciplinary spatial intelligence research and inspire future studies.

The fundamental units of internal representations in large language models (LLMs) remain undefined, limiting further understanding of their mechanisms. Neurons or features are often regarded as such units, yet neurons suffer from polysemy, while features face concerns of unreliable reconstruction and instability. To address this issue, we propose the Atoms Theory, which defines such units as atoms. We introduce the atomic inner product (AIP) to correct representation shifting, formally define atoms, and prove the conditions that atoms satisfy the Restricted Isometry Property (RIP), ensuring stable sparse representations over atom set and linking to compressed sensing. Under stronger conditions, we further establish the uniqueness and exact ell_1 recoverability of the sparse representations, and provide guarantees that single-layer sparse autoencoders (SAEs) with threshold activations can reliably identify the atoms. To validate the Atoms Theory, we train threshold-activated SAEs on Gemma2-2B, Gemma2-9B, and Llama3.1-8B, achieving 99.9% sparse reconstruction across layers on average, and more than 99.8% of atoms satisfy the uniqueness condition, compared to 0.5% for neurons and 68.2% for features, showing that atoms more faithfully capture intrinsic representations of LLMs. Scaling experiments further reveal the link between SAEs size and recovery capacity. Overall, this work systematically introduces and validates Atoms Theory of LLMs, providing a theoretical framework for understanding internal representations and a foundation for mechanistic interpretability. Code available at https://github.com/ChenhuiHu/towards_atoms.

Spatial understanding is a crucial capability for robots to make grounded decisions based on their environment. This foundational skill enables robots not only to perceive their surroundings but also to reason about and interact meaningfully within the world. In modern robotics, these capabilities are taken on by visual language models, and they face significant challenges when applied to spatial reasoning context due to their training data sources. These sources utilize general-purpose image datasets, and they often lack sophisticated spatial scene understanding capabilities. For example, the datasets do not address reference frame comprehension - spatial relationships require clear contextual understanding, whether from an ego-centric, object-centric, or world-centric perspective, which allow for effective real-world interaction. To address this issue, we introduce RoboSpatial, a large-scale spatial understanding dataset consisting of real indoor and tabletop scenes captured as 3D scans and egocentric images, annotated with rich spatial information relevant to robotics. The dataset includes 1M images, 5K 3D scans, and 3M annotated spatial relationships, with paired 2D egocentric images and 3D scans to make it both 2D and 3D ready. Our experiments show that models trained with RoboSpatial outperform baselines on downstream tasks such as spatial affordance prediction, spatial relationship prediction, and robotics manipulation.

Humans can directly imagine and manipulate visual images in their minds, a capability known as spatial visualization. While multi-modal Large Language Models (MLLMs) support imagination-based reasoning, spatial visualization remains insufficiently evaluated, typically embedded within broader mathematical and logical assessments. Existing evaluations often rely on IQ tests or math competitions that may overlap with training data, compromising assessment reliability. To this end, we introduce SpatialViz-Bench, a comprehensive multi-modal benchmark for spatial visualization with 12 tasks across 4 sub-abilities, comprising 1,180 automatically generated problems. Our evaluation of 33 state-of-the-art MLLMs not only reveals wide performance variations and demonstrates the benchmark's strong discriminative power, but also uncovers counter-intuitive findings: models exhibit unexpected behaviors by showing difficulty perception that misaligns with human intuition, displaying dramatic 2D-to-3D performance cliffs, and defaulting to formula derivation despite spatial tasks requiring visualization alone. SpatialVizBench empirically demonstrates that state-of-the-art MLLMs continue to exhibit deficiencies in spatial visualization tasks, thereby addressing a significant lacuna in the field. The benchmark is publicly available.

We present a compact design of dual-beam Zeeman slower optimized for efficient production of cold atom applications. Traditional single-beam configurations face challenges from substantial residual atomic flux impacting downstream optical windows, resulting in increased system size, atomic deposition contamination, and a reduced operational lifetime. Our approach employs two oblique laser beams and a capillary-array collimation system to address these challenges while maintaining efficient deceleration. For rubidium (^{87}Rb), simulations demonstrate a significant increase in the fraction of atoms captured by a two-dimensional magneto-optical trap (2D-MOT) and nearly eliminate atom-induced contamination probability at optical windows, all within a compact Zeeman slower length of 44 cm. Experimental validation with Rb and Yb demonstrates highly efficient atomic loading within the same compact design. This advancement represents a substantial improvement for high-flux cold atom applications, providing reliable performance for high-precision metrology, quantum computation and simulation.

Spatial cognition enables adaptive goal-directed behavior by constructing internal models of space. Robust biological systems consolidate spatial knowledge into three interconnected forms: landmarks for salient cues, route knowledge for movement trajectories, and survey knowledge for map-like representations. While recent advances in multi-modal large language models (MLLMs) have enabled visual-language reasoning in embodied agents, these efforts lack structured spatial memory and instead operate reactively, limiting their generalization and adaptability in complex real-world environments. Here we present Brain-inspired Spatial Cognition for Navigation (BSC-Nav), a unified framework for constructing and leveraging structured spatial memory in embodied agents. BSC-Nav builds allocentric cognitive maps from egocentric trajectories and contextual cues, and dynamically retrieves spatial knowledge aligned with semantic goals. Integrated with powerful MLLMs, BSC-Nav achieves state-of-the-art efficacy and efficiency across diverse navigation tasks, demonstrates strong zero-shot generalization, and supports versatile embodied behaviors in the real physical world, offering a scalable and biologically grounded path toward general-purpose spatial intelligence.

Visual Foundation Models (VFMs), such as DINO and CLIP, excel in semantic understanding of images but exhibit limited spatial reasoning capabilities, which limits their applicability to embodied systems. As a result, recent work incorporates some 3D tasks (such as depth estimation) into VFM training. However, VFM performance remains inconsistent across other spatial tasks, raising the question of whether these models truly have spatial awareness or overfit to specific 3D objectives. To address this question, we introduce the Spatial Relation Recognition Task (SpaRRTa) benchmark, which evaluates the ability of VFMs to identify relative positions of objects in the image. Unlike traditional 3D objectives that focus on precise metric prediction (e.g., surface normal estimation), SpaRRTa probes a fundamental capability underpinning more advanced forms of human-like spatial understanding. SpaRRTa generates an arbitrary number of photorealistic images with diverse scenes and fully controllable object arrangements, along with freely accessible spatial annotations. Evaluating a range of state-of-the-art VFMs, we reveal significant disparities between their spatial reasoning abilities. Through our analysis, we provide insights into the mechanisms that support or hinder spatial awareness in modern VFMs. We hope that SpaRRTa will serve as a useful tool for guiding the development of future spatially aware visual models.

In this paper, we address the challenging task of multimodal mathematical reasoning by incorporating the ability of ``slow thinking" into multimodal large language models (MLLMs). Contrary to existing methods that rely on direct or fast thinking, our key idea is to construct long chains of thought (CoT) consisting of atomic actions in a step-by-step manner, guiding MLLMs to perform complex reasoning. To this end, we design a novel AtomThink framework composed of three key modules: (i) a CoT annotation engine that automatically generates high-quality CoT annotations to address the lack of high-quality visual mathematical data; (ii) an atomic step fine-tuning strategy that jointly optimizes an MLLM and a policy reward model (PRM) for step-wise reasoning; and (iii) four different search strategies that can be applied with the PRM to complete reasoning. Additionally, we propose AtomMATH, a large-scale multimodal dataset of long CoTs, and an atomic capability evaluation metric for mathematical tasks. Extensive experimental results show that the proposed AtomThink significantly improves the performance of baseline MLLMs, achieving approximately 50\% relative accuracy gains on MathVista and 120\% on MathVerse. To support the advancement of multimodal slow-thinking models, we will make our code and dataset publicly available on https://github.com/Quinn777/AtomThink.

Spatial reasoning in 3D space is central to human cognition and indispensable for embodied tasks such as navigation and manipulation. However, state-of-the-art vision-language models (VLMs) struggle frequently with tasks as simple as anticipating how a scene will look after an egocentric motion: they perceive 2D images but lack an internal model of 3D dynamics. We therefore propose MindJourney, a test-time scaling framework that grants a VLM with this missing capability by coupling it to a controllable world model based on video diffusion. The VLM iteratively sketches a concise camera trajectory, while the world model synthesizes the corresponding view at each step. The VLM then reasons over this multi-view evidence gathered during the interactive exploration. Without any fine-tuning, our MindJourney achieves over an average 8% performance boost on the representative spatial reasoning benchmark SAT, showing that pairing VLMs with world models for test-time scaling offers a simple, plug-and-play route to robust 3D reasoning. Meanwhile, our method also improves upon the test-time inference VLMs trained through reinforcement learning, which demonstrates the potential of our method that utilizes world models for test-time scaling.

Spatial intelligence refers to the ability to perceive, reason about, and describe objects and their relationships within three-dimensional environments, forming a foundation for embodied perception and scene understanding. 3D captioning aims to describe 3D scenes in natural language; however, it remains challenging due to the sparsity and irregularity of point clouds and, more critically, the weak grounding and limited out-of-distribution (OOD) generalization of existing captioners across drastically different environments, including indoor and outdoor 3D scenes. To address this challenge, we propose 3D CoCa v2, a generalizable 3D captioning framework that unifies contrastive vision-language learning with 3D caption generation and further improves robustness via test-time search (TTS) without updating the captioner parameters. 3D CoCa v2 builds on a frozen CLIP-based semantic prior, a spatially-aware 3D scene encoder for geometry, and a multimodal decoder jointly optimized with contrastive and captioning objectives, avoiding external detectors or handcrafted proposals. At inference, TTS produces diverse caption candidates and performs reward-guided selection using a compact scene summary. Experiments show improvements over 3D CoCa of +1.50 [email protected] on ScanRefer and +1.61 [email protected] on Nr3D, and +3.8 [email protected] in zero-shot OOD evaluation on TOD3Cap. Code will be released at https://github.com/AIGeeksGroup/3DCoCav2.

The history of science is punctuated by serendipitous discoveries, where unexpected observations, rather than targeted hypotheses, opened new fields of inquiry. While modern autonomous laboratories excel at accelerating hypothesis testing, their optimization for efficiency risks overlooking these crucial, unplanned findings. To address this gap, we introduce SciLink, an open-source, multi-agent artificial intelligence framework designed to operationalize serendipity in materials research by creating a direct, automated link between experimental observation, novelty assessment, and theoretical simulations. The framework employs a hybrid AI strategy where specialized machine learning models perform quantitative analysis of experimental data, while large language models handle higher-level reasoning. These agents autonomously convert raw data from materials characterization techniques into falsifiable scientific claims, which are then quantitatively scored for novelty against the published literature. We demonstrate the framework's versatility across diverse research scenarios, showcasing its application to atomic-resolution and hyperspectral data, its capacity to integrate real-time human expert guidance, and its ability to close the research loop by proposing targeted follow-up experiments. By systematically analyzing all observations and contextualizing them, SciLink provides a practical framework for AI-driven materials research that not only enhances efficiency but also actively cultivates an environment ripe for serendipitous discoveries, thereby bridging the gap between automated experimentation and open-ended scientific exploration.

3D spatial reasoning is the ability to analyze and interpret the positions, orientations, and spatial relationships of objects within the 3D space. This allows models to develop a comprehensive understanding of the 3D scene, enabling their applicability to a broader range of areas, such as autonomous navigation, robotics, and AR/VR. While large multi-modal models (LMMs) have achieved remarkable progress in a wide range of image and video understanding tasks, their capabilities to perform 3D spatial reasoning on diverse natural images are less studied. In this work we present the first comprehensive 3D spatial reasoning benchmark, 3DSRBench, with 2,772 manually annotated visual question-answer pairs across 12 question types. We conduct robust and thorough evaluation of 3D spatial reasoning capabilities by balancing the data distribution and adopting a novel FlipEval strategy. To further study the robustness of 3D spatial reasoning w.r.t. camera 3D viewpoints, our 3DSRBench includes two subsets with 3D spatial reasoning questions on paired images with common and uncommon viewpoints. We benchmark a wide range of open-sourced and proprietary LMMs, uncovering their limitations in various aspects of 3D awareness, such as height, orientation, location, and multi-object reasoning, as well as their degraded performance on images with uncommon camera viewpoints. Our 3DSRBench provide valuable findings and insights about the future development of LMMs with strong 3D reasoning capabilities. Our project page and dataset is available https://3dsrbench.github.io.

Multi-modal models have achieved remarkable progress in recent years. Nevertheless, they continue to exhibit notable limitations in spatial understanding and reasoning, which are fundamental capabilities to achieving artificial general intelligence. With the recent release of GPT-5, allegedly the most powerful AI model to date, it is timely to examine where the leading models stand on the path toward spatial intelligence. First, we propose a comprehensive taxonomy of spatial tasks that unifies existing benchmarks and discuss the challenges in ensuring fair evaluation. We then evaluate state-of-the-art proprietary and open-source models on eight key benchmarks, at a cost exceeding one billion total tokens. Our empirical study reveals that (1) GPT-5 demonstrates unprecedented strength in spatial intelligence, yet (2) still falls short of human performance across a broad spectrum of tasks. Moreover, we (3) identify the more challenging spatial intelligence problems for multi-modal models, and (4) proprietary models do not exhibit a decisive advantage when facing the most difficult problems. In addition, we conduct a qualitative evaluation across a diverse set of scenarios that are intuitive for humans yet fail even the most advanced multi-modal models.

Spatial reasoning is a crucial component of both biological and artificial intelligence. In this work, we present a comprehensive study of the capability of current state-of-the-art large language models (LLMs) on spatial reasoning. To support our study, we created and contribute a novel Spatial Reasoning Characterization (SpaRC) framework and Spatial Reasoning Paths (SpaRP) datasets, to enable an in-depth understanding of the spatial relations and compositions as well as the usefulness of spatial reasoning chains. We found that all the state-of-the-art LLMs do not perform well on the datasets -- their performances are consistently low across different setups. The spatial reasoning capability improves substantially as model sizes scale up. Finetuning both large language models (e.g., Llama-2-70B) and smaller ones (e.g., Llama-2-13B) can significantly improve their F1-scores by 7--32 absolute points. We also found that the top proprietary LLMs still significantly outperform their open-source counterparts in topological spatial understanding and reasoning.

We demonstrate how collective memory emerges in decentralized multi-agent systems through the interplay between individual agent memory and environmental trace communication. Our agents maintain internal memory states while depositing persistent environmental traces, creating a spatially distributed collective memory without centralized control. Comprehensive validation across five environmental conditions (20x20 to 50x50 grids, 5-20 agents, 50 runs per configuration) reveals a critical asymmetry: individual memory alone provides 68.7% performance improvement over no-memory baselines (1563.87 vs 927.23, p < 0.001), while environmental traces without memory fail completely. This demonstrates that memory functions independently but traces require cognitive infrastructure for interpretation. Systematic density-sweep experiments (rho in [0.049, 0.300], up to 625 agents) validate our theoretical phase transition prediction. On realistic large grids (30x30, 50x50), stigmergic coordination dominates above rho ~ 0.20, with traces outperforming memory by 36-41% on composite metrics despite lower food efficiency. The experimental crossover confirms the predicted critical density rho_c = 0.230 within 13% error.

Imitation learning method has shown immense promise for robotic manipulation, yet its practical deployment is fundamentally constrained by the data scarcity. Despite prior work on collecting large-scale datasets, there still remains a significant gap to robust spatial generalization. We identify a key limitation: individual trajectories, regardless of their length, are typically collected from a single, static spatial configuration of the environment. This includes fixed object and target spatial positions as well as unchanging camera viewpoints, which significantly restricts the diversity of spatial information available for learning. To address this critical bottleneck in data efficiency, we propose MOtion-Based Variability Enhancement (MOVE), a simple yet effective data collection paradigm that enables the acquisition of richer spatial information from dynamic demonstrations. Our core contribution is an augmentation strategy that injects motion into any movable objects within the environment for each demonstration. This process implicitly generates a dense and diverse set of spatial configurations within a single trajectory. We conduct extensive experiments in both simulation and real-world environments to validate our approach. For example, in simulation tasks requiring strong spatial generalization, MOVE achieves an average success rate of 39.1\%, a 76.1\% relative improvement over the static data collection paradigm (22.2\%), and yields up to 2--5times gains in data efficiency on certain tasks. Our code is available at https://github.com/lucywang720/MOVE.

Current evaluation paradigms for large language models (LLMs) represent a critical blind spot in AI research--relying on opaque numerical metrics that conceal fundamental limitations in spatial reasoning while providing no intuitive understanding of model capabilities. This deficiency creates a dangerous disconnect between reported performance and practical abilities, particularly for applications requiring physical world understanding. We introduce LTD-Bench, a breakthrough benchmark that transforms LLM evaluation from abstract scores to directly observable visual outputs by requiring models to generate drawings through dot matrices or executable code. This approach makes spatial reasoning limitations immediately apparent even to non-experts, bridging the fundamental gap between statistical performance and intuitive assessment. LTD-Bench implements a comprehensive methodology with complementary generation tasks (testing spatial imagination) and recognition tasks (assessing spatial perception) across three progressively challenging difficulty levels, methodically evaluating both directions of the critical language-spatial mapping. Our extensive experiments with state-of-the-art models expose an alarming capability gap: even LLMs achieving impressive results on traditional benchmarks demonstrate profound deficiencies in establishing bidirectional mappings between language and spatial concept--a fundamental limitation that undermines their potential as genuine world models. Furthermore, LTD-Bench's visual outputs enable powerful diagnostic analysis, offering a potential approach to investigate model similarity.

Significant progress has been made in spatial intelligence, spanning both spatial reconstruction and world exploration. However, the scalability and real-world fidelity of current models remain severely constrained by the scarcity of large-scale, high-quality training data. While several datasets provide camera pose information, they are typically limited in scale, diversity, and annotation richness, particularly for real-world dynamic scenes with ground-truth camera motion. To this end, we collect SpatialVID, a dataset consists of a large corpus of in-the-wild videos with diverse scenes, camera movements and dense 3D annotations such as per-frame camera poses, depth, and motion instructions. Specifically, we collect more than 21,000 hours of raw video, and process them into 2.7 million clips through a hierarchical filtering pipeline, totaling 7,089 hours of dynamic content. A subsequent annotation pipeline enriches these clips with detailed spatial and semantic information, including camera poses, depth maps, dynamic masks, structured captions, and serialized motion instructions. Analysis of SpatialVID's data statistics reveals a richness and diversity that directly foster improved model generalization and performance, establishing it as a key asset for the video and 3D vision research community.

Most existing spatial reasoning benchmarks focus on static or globally observable environments, failing to capture the challenges of long-horizon reasoning and memory utilization under partial observability and dynamic changes. We introduce two dynamic spatial benchmarks, locally observable maze navigation and match-2 elimination that systematically evaluate models' abilities in spatial understanding and adaptive planning when local perception, environment feedback, and global objectives are tightly coupled. Each action triggers structural changes in the environment, requiring continuous update of cognition and strategy. We further propose a subjective experience-based memory mechanism for cross-task experience transfer and validation. Experiments show that our benchmarks reveal key limitations of mainstream models in dynamic spatial reasoning and long-term memory, providing a comprehensive platform for future methodological advances. Our code and data are available at https://anonymous.4open.science/r/EvoEmpirBench-143C/.

Molecular pretrained representations (MPR) has emerged as a powerful approach for addressing the challenge of limited supervised data in applications such as drug discovery and material design. While early MPR methods relied on 1D sequences and 2D graphs, recent advancements have incorporated 3D conformational information to capture rich atomic interactions. However, these prior models treat molecules merely as discrete atom sets, overlooking the space surrounding them. We argue from a physical perspective that only modeling these discrete points is insufficient. We first present a simple yet insightful observation: naively adding randomly sampled virtual points beyond atoms can surprisingly enhance MPR performance. In light of this, we propose a principled framework that incorporates the entire 3D space spanned by molecules. We implement the framework via a novel Transformer-based architecture, dubbed SpaceFormer, with three key components: (1) grid-based space discretization; (2) grid sampling/merging; and (3) efficient 3D positional encoding. Extensive experiments show that SpaceFormer significantly outperforms previous 3D MPR models across various downstream tasks with limited data, validating the benefit of leveraging the additional 3D space beyond atoms in MPR models.

Visual Spatial Reasoning (VSR) is a core human cognitive ability and a critical requirement for advancing embodied intelligence and autonomous systems. Despite recent progress in Vision-Language Models (VLMs), achieving human-level VSR remains highly challenging due to the complexity of representing and reasoning over three-dimensional space. In this paper, we present a systematic investigation of VSR in VLMs, encompassing a review of existing methodologies across input modalities, model architectures, training strategies, and reasoning mechanisms. Furthermore, we categorize spatial intelligence into three levels of capability, ie, basic perception, spatial understanding, spatial planning, and curate SIBench, a spatial intelligence benchmark encompassing nearly 20 open-source datasets across 23 task settings. Experiments with state-of-the-art VLMs reveal a pronounced gap between perception and reasoning, as models show competence in basic perceptual tasks but consistently underperform in understanding and planning tasks, particularly in numerical estimation, multi-view reasoning, temporal dynamics, and spatial imagination. These findings underscore the substantial challenges that remain in achieving spatial intelligence, while providing both a systematic roadmap and a comprehensive benchmark to drive future research in the field. The related resources of this study are accessible at https://sibench.github.io/Awesome-Visual-Spatial-Reasoning/.

We introduce Orb, a family of universal interatomic potentials for atomistic modelling of materials. Orb models are 3-6 times faster than existing universal potentials, stable under simulation for a range of out of distribution materials and, upon release, represented a 31% reduction in error over other methods on the Matbench Discovery benchmark. We explore several aspects of foundation model development for materials, with a focus on diffusion pretraining. We evaluate Orb as a model for geometry optimization, Monte Carlo and molecular dynamics simulations.

Spatial reasoning is a core aspect of human intelligence that allows perception, inference and planning in 3D environments. However, current vision-language models (VLMs) struggle to maintain geometric coherence and cross-view consistency for spatial reasoning in multi-view settings. We attribute this gap to the lack of fine-grained benchmarks that isolate multi-view reasoning from single-view perception and temporal factors. To address this, we present ReMindView-Bench, a cognitively grounded benchmark for evaluating how VLMs construct, align and maintain spatial mental models across complementary viewpoints. ReMindView-Bench systematically varies viewpoint spatial pattern and query type to probe key factors of spatial cognition. Evaluations of 15 current VLMs reveals consistent failures in cross-view alignment and perspective-taking in multi-view spatial reasoning, motivating deeper analysis on the reasoning process. Explicit phase-wise analysis using LLM-as-a-judge and self-consistency prompting shows that VLMs perform well on in-frame perception but degrade sharply when integrating information across views. Implicit analysis, including linear probing and entropy dynamics, further show progressive loss of task-relevant information and uncertainty separation between correct and incorrect trajectories. These results provide a cognitively grounded diagnosis of VLM spatial reasoning and reveal how multi-view spatial mental models are formed, degraded and destabilized across reasoning phases. The ReMindView-Bench benchmark is available at https://huggingface.co/datasets/Xue0823/ReMindView-Bench, and the source codes of benchmark construction and VLM reasoning analysis are available at https://github.com/pittisl/ReMindView-Bench.

Various methods have been proposed for utilizing Large Language Models (LLMs) in autonomous driving. One strategy of using LLMs for autonomous driving involves inputting surrounding objects as text prompts to the LLMs, along with their coordinate and velocity information, and then outputting the subsequent movements of the vehicle. When using LLMs for such purposes, capabilities such as spatial recognition and planning are essential. In particular, two foundational capabilities are required: (1) spatial-aware decision making, which is the ability to recognize space from coordinate information and make decisions to avoid collisions, and (2) the ability to adhere to traffic rules. However, quantitative research has not been conducted on how accurately different types of LLMs can handle these problems. In this study, we quantitatively evaluated these two abilities of LLMs in the context of autonomous driving. Furthermore, to conduct a Proof of Concept (POC) for the feasibility of implementing these abilities in actual vehicles, we developed a system that uses LLMs to drive a vehicle.

Spatial intelligence is a critical frontier for Multimodal Large Language Models (MLLMs), empowering them to comprehend the physical world. Drawing inspiration from human perception mechanisms, existing studies attempt to construct a coherent spatial understanding via grid-based cognitive maps from multi-frame visual inputs. However, current grid-based map methods rely on discretized raster representations, which limit the model's ability in fine-grained spatial reasoning. To overcome this limitation, we propose Video2Layout, a framework for reconstructing metric-grounded spatial layouts from video. The framework employs continuous object boundary coordinates to quantify inter-object physical distances and object size. This empowers the model with quantitative spatial computation capabilities, effectively alleviating the inherent ambiguity when describing spatial relationships in natural language. Specifically, our method comprises two core stages. First, in supervised fine-tuning stage, we construct a high-quality dataset from the AI2THOR simulator, which enables the model to learn the mapping from visual inputs to precise boundary coordinates. Subsequently, a reinforcement fine-tuning stage further enhances the model's real-world generalization capabilities. To systematically evaluate the correlation between cognitive map accuracy and image quantity, as well as how the quantity of image inputs affects spatial reasoning accuracy, we introduce QVS-Bench, a diagnostic benchmark designed to analyze the relevant mechanisms. Evaluated on QVS-Bench and mainstream spatial reasoning benchmarks, our model, V2LO-7B achieves an average improvement of 4.92% over the model trained on grid maps, validating the superiority of our method. Our code is available at https://github.com/ybrrraway/Video2Layout.

Large language models (LLMs) exhibit remarkable problem-solving abilities, but struggle with complex tasks due to static internal knowledge. Retrieval-Augmented Generation (RAG) enhances access to external information, yet remains limited in multi-hop reasoning and strategic search due to rigid workflows. Recent advancements in agentic deep research empower LLMs to autonomously reason, search, and synthesize information. However, current approaches relying on outcome-based reinforcement learning (RL) face critical issues such as conflicting gradients and reward sparsity, limiting performance gains and training efficiency. To address these, we first propose Atomic Thought, a novel LLM thinking paradigm that decomposes reasoning into fine-grained functional units. These units are supervised by Reasoning Reward Models (RRMs), which provide Atomic Thought Rewards (ATR) for fine-grained guidance. Building on this, we propose Atom-Searcher, a novel RL framework for agentic deep research that integrates Atomic Thought and ATR. Atom-Searcher uses a curriculum-inspired reward schedule, prioritizing process-level ATR early and transitioning to outcome rewards, accelerating convergence on effective reasoning paths. Experiments on seven benchmarks show consistent improvements over the state-of-the-art. Key advantages include: (1) Atom-Searcher scales computation at test-time. (2) Atomic Thought provides supervision anchors for RRMs, bridging deep research tasks and RRMs. (3) Atom-Searcher exhibits more interpretable, human-like reasoning patterns.

Understanding and reasoning about the physical world requires spatial intelligence: the ability to interpret geometry, perspective, and spatial relations beyond 2D perception. While recent vision large models (VLMs) excel at visual understanding, they remain fundamentally 2D perceivers and struggle with genuine 3D reasoning. We introduce Think3D, a framework that enables VLM agents to think with 3D space. By leveraging 3D reconstruction models that recover point clouds and camera poses from images or videos, Think3D allows the agent to actively manipulate space through camera-based operations and ego/global-view switching, transforming spatial reasoning into an interactive 3D chain-of-thought process. Without additional training, Think3D significantly improves the spatial reasoning performance of advanced models such as GPT-4.1 and Gemini 2.5 Pro, yielding average gains of +7.8% on BLINK Multi-view and MindCube, and +4.7% on VSI-Bench. We further show that smaller models, which struggle with spatial exploration, benefit significantly from a reinforcement learning policy that enables the model to select informative viewpoints and operations. With RL, the benefit from tool usage increases from +0.7% to +6.8%. Our findings demonstrate that training-free, tool-augmented spatial exploration is a viable path toward more flexible and human-like 3D reasoning in multimodal agents, establishing a new dimension of multimodal intelligence. Code and weights are released at https://github.com/zhangzaibin/spagent.

We present LASER, an image-based Monte Carlo Localization (MCL) framework for 2D floor maps. LASER introduces the concept of latent space rendering, where 2D pose hypotheses on the floor map are directly rendered into a geometrically-structured latent space by aggregating viewing ray features. Through a tightly coupled rendering codebook scheme, the viewing ray features are dynamically determined at rendering-time based on their geometries (i.e. length, incident-angle), endowing our representation with view-dependent fine-grain variability. Our codebook scheme effectively disentangles feature encoding from rendering, allowing the latent space rendering to run at speeds above 10KHz. Moreover, through metric learning, our geometrically-structured latent space is common to both pose hypotheses and query images with arbitrary field of views. As a result, LASER achieves state-of-the-art performance on large-scale indoor localization datasets (i.e. ZInD and Structured3D) for both panorama and perspective image queries, while significantly outperforming existing learning-based methods in speed.

Spatial computing is a technological advancement that facilitates the seamless integration of devices into the physical environment, resulting in a more natural and intuitive digital world user experience. Spatial computing has the potential to become a significant advancement in the field of computing. From GPS and location-based services to healthcare, spatial computing technologies have influenced and improved our interactions with the digital world. The use of spatial computing in creating interactive digital environments has become increasingly popular and effective. This is explained by its increasing significance among researchers and industrial organisations, which motivated us to conduct this review. This review provides a detailed overview of spatial computing, including its enabling technologies and its impact on various applications. Projects related to spatial computing are also discussed. In this review, we also explored the potential challenges and limitations of spatial computing. Furthermore, we discuss potential solutions and future directions. Overall, this paper aims to provide a comprehensive understanding of spatial computing, its enabling technologies, their impact on various applications, emerging challenges, and potential solutions.

Spatial reasoning is a key aspect of cognitive psychology and remains a major bottleneck for current vision-language models (VLMs). While extensive research has aimed to evaluate or improve VLMs' understanding of basic spatial relations, such as distinguishing left from right, near from far, and object counting, these tasks represent only the most fundamental level of spatial reasoning. In this work, we introduce OmniSpatial, a comprehensive and challenging benchmark for spatial reasoning, grounded in cognitive psychology. OmniSpatial covers four major categories: dynamic reasoning, complex spatial logic, spatial interaction, and perspective-taking, with 50 fine-grained subcategories. Through Internet data crawling and careful manual annotation, we construct over 1.5K question-answer pairs. Extensive experiments show that both open- and closed-source VLMs, as well as existing reasoning and spatial understanding models, exhibit significant limitations in comprehensive spatial understanding. We further analyze failure cases and propose potential directions for future research.

As LLMs shift toward autonomous agents, Deep Research has emerged as a pivotal metric. However, existing academic benchmarks like BrowseComp often fail to meet real-world demands for open-ended research, which requires robust skills in intent recognition, long-horizon decision-making, and cross-source verification. To address this, we introduce Step-DeepResearch, a cost-effective, end-to-end agent. We propose a Data Synthesis Strategy Based on Atomic Capabilities to reinforce planning and report writing, combined with a progressive training path from agentic mid-training to SFT and RL. Enhanced by a Checklist-style Judger, this approach significantly improves robustness. Furthermore, to bridge the evaluation gap in the Chinese domain, we establish ADR-Bench for realistic deep research scenarios. Experimental results show that Step-DeepResearch (32B) scores 61.4% on Scale AI Research Rubrics. On ADR-Bench, it significantly outperforms comparable models and rivals SOTA closed-source models like OpenAI and Gemini DeepResearch. These findings prove that refined training enables medium-sized models to achieve expert-level capabilities at industry-leading cost-efficiency.

Spatial reasoning is a core component of human cognition, enabling individuals to perceive, comprehend, and interact with the physical world. It relies on a nuanced understanding of spatial structures and inter-object relationships, serving as the foundation for complex reasoning and decision-making. To investigate whether current vision-language models (VLMs) exhibit similar capability, we introduce Jigsaw-Puzzles, a novel benchmark consisting of 1,100 carefully curated real-world images with high spatial complexity. Based on this dataset, we design five tasks to rigorously evaluate VLMs' spatial perception, structural understanding, and reasoning capabilities, while deliberately minimizing reliance on domain-specific knowledge to better isolate and assess the general spatial reasoning capability. We conduct a comprehensive evaluation across 24 state-of-the-art VLMs. The results show that even the strongest model, Gemini-2.5-Pro, achieves only 77.14% overall accuracy and performs particularly poorly on the Order Generation task, with only 30.00% accuracy, far below the performance exceeding 90% achieved by human participants. This persistent gap underscores the need for continued progress, positioning Jigsaw-Puzzles as a challenging and diagnostic benchmark for advancing spatial reasoning research in VLMs.

Rydberg atom arrays have emerged as a powerful platform to simulate a number of exotic quantum ground states and phase transitions. To verify these capabilities numerically, we develop a versatile quantum Monte Carlo sampling technique which operates in the reduced Hilbert space generated by enforcing the constraint of a Rydberg blockade. We use the framework of stochastic series expansion and show that in the restricted space, the configuration space of operator strings can be understood as a hard rod gas in d+1 dimensions. We use this mapping to develop cluster algorithms which can be visualized as various non-local movements of rods. We study the efficiency of each of our updates individually and collectively. To elucidate the utility of the algorithm, we show that it can efficiently generate the phase diagram of a Rydberg atom array, to temperatures much smaller than all energy scales involved, on a Kagom\'e link lattice. This is of broad interest as the presence of a Z_2 spin liquid has been hypothesized recently.

Multimodal Large Language Models (MLLMs) have demonstrated impressive performance in general vision-language tasks. However, recent studies have exposed critical limitations in their spatial reasoning capabilities. This deficiency in spatial reasoning significantly constrains MLLMs' ability to interact effectively with the physical world, thereby limiting their broader applications. We argue that spatial reasoning capabilities will not naturally emerge from merely scaling existing architectures and training methodologies. Instead, this challenge demands dedicated attention to fundamental modifications in the current MLLM development approach. In this position paper, we first establish a comprehensive framework for spatial reasoning within the context of MLLMs. We then elaborate on its pivotal role in real-world applications. Through systematic analysis, we examine how individual components of the current methodology, from training data to reasoning mechanisms, influence spatial reasoning capabilities. This examination reveals critical limitations while simultaneously identifying promising avenues for advancement. Our work aims to direct the AI research community's attention toward these crucial yet underexplored aspects. By highlighting these challenges and opportunities, we seek to catalyze progress toward achieving human-like spatial reasoning capabilities in MLLMs.

Spatial perception and reasoning are core components of human cognition, encompassing object recognition, spatial relational understanding, and dynamic reasoning. Despite progress in computer vision, existing benchmarks reveal significant gaps in models' abilities to accurately recognize object attributes and reason about spatial relationships, both essential for dynamic reasoning. To address these limitations, we propose MIRAGE, a multi-modal benchmark designed to evaluate models' capabilities in Counting (object attribute recognition), Relation (spatial relational reasoning), and Counting with Relation. Through diverse and complex scenarios requiring fine-grained recognition and reasoning, MIRAGE highlights critical limitations in state-of-the-art models, underscoring the need for improved representations and reasoning frameworks. By targeting these foundational abilities, MIRAGE provides a pathway toward spatiotemporal reasoning in future research.

Spatial intelligence is essential for multimodal large language models (MLLMs) operating in the complex physical world. Existing benchmarks, however, probe only single-image relations and thus fail to assess the multi-image spatial reasoning that real-world deployments demand. We introduce MMSI-Bench, a VQA benchmark dedicated to multi-image spatial intelligence. Six 3D-vision researchers spent more than 300 hours meticulously crafting 1,000 challenging, unambiguous multiple-choice questions from over 120,000 images, each paired with carefully designed distractors and a step-by-step reasoning process. We conduct extensive experiments and thoroughly evaluate 34 open-source and proprietary MLLMs, observing a wide gap: the strongest open-source model attains roughly 30% accuracy and OpenAI's o3 reasoning model reaches 40%, while humans score 97%. These results underscore the challenging nature of MMSI-Bench and the substantial headroom for future research. Leveraging the annotated reasoning processes, we also provide an automated error analysis pipeline that diagnoses four dominant failure modes, including (1) grounding errors, (2) overlap-matching and scene-reconstruction errors, (3) situation-transformation reasoning errors, and (4) spatial-logic errors, offering valuable insights for advancing multi-image spatial intelligence. Project page: https://runsenxu.com/projects/MMSI_Bench .

Spatial intelligence spans a rich suite of abilities, including visualising and transforming shapes, mentally rotating objects, judging relational positions and containment, and estimating numerosity. However, it still remains a critical unresolved challenge for Multimodal Large Language Models (MLLMs).To fill this gap, we propose to treat Euclidean geometry problem-solving as a surrogate task. Specifically, we meticulously constructed a curated multimodal dataset, called Euclid30K, comprising approximately 30K plane and solid geometry problems. To enable the model to acquire and apply Euclidean principles from these geometry problems, we employed Group Relative Policy Optimization (GRPO) to finetune the Qwen2.5VL family and RoboBrain2.0 family, inspiring the models to identify shapes, count, and relate entities, and perform multi-step deductive reasoning using Euclidean principles. Our experiments demonstrate that the resulting models achieve substantial zero-shot gains across four spatial reasoning benchmarks (Super-CLEVR, Omni3DBench, VSI-Bench, and MindCube) without any task-specific adaptations. Notably, after training on the Euclid30K, the mean VSI-Bench accuracy of all evaluated models rose from 34.5% to 40.5%, improving by 5.5 percentage points. Among them, RoboBrain2.0-Euclid-7B achieves 49.6\% accuracy, surpassing the previous state-of-the-art model, Spatial-MLLM.To our knowledge, this is the first systematic study showing that geometry-centric fine-tuning can confer vision-language models with broadly transferable spatial skills. Code and Euclid30K dataset can be found in https://zgca-ai4edu.github.io/Euclids_Gift.

Developing robust representations of chemical structures that enable models to learn topological inductive biases is challenging. In this manuscript, we present a representation of atomistic systems. We begin by proving that our representation satisfies all structural, geometric, efficiency, and generalizability constraints. Afterward, we provide a general algorithm to encode any atomistic system. Finally, we report performance comparable to state-of-the-art methods on numerous tasks. We open-source all code and datasets. The code and data are available at https://github.com/rahulkhorana/PolyatomicComplexes.

Spatial intelligence is a critical component of embodied AI, promoting robots to understand and interact with their environments. While recent advances have enhanced the ability of VLMs to perceive object locations and positional relationships, they still lack the capability to precisely understand object orientations-a key requirement for tasks involving fine-grained manipulations. Addressing this limitation not only requires geometric reasoning but also an expressive and intuitive way to represent orientation. In this context, we propose that natural language offers a more flexible representation space than canonical frames, making it particularly suitable for instruction-following robotic systems. In this paper, we introduce the concept of semantic orientation, which defines object orientations using natural language in a reference-frame-free manner (e.g., the ''plug-in'' direction of a USB or the ''handle'' direction of a knife). To support this, we construct OrienText300K, a large-scale dataset of 3D models annotated with semantic orientations that link geometric understanding to functional semantics. By integrating semantic orientation into a VLM system, we enable robots to generate manipulation actions with both positional and orientational constraints. Extensive experiments in simulation and real world demonstrate that our approach significantly enhances robotic manipulation capabilities, e.g., 48.7% accuracy on Open6DOR and 74.9% accuracy on SIMPLER.

Reasoning about motion and space is a fundamental cognitive capability that is required by multiple real-world applications. While many studies highlight that large multimodal language models (MLMs) struggle to reason about space, they only focus on static spatial relationships, and not dynamic awareness of motion and space, i.e., reasoning about the effect of egocentric and object motions on spatial relationships. Manually annotating such object and camera movements is expensive. Hence, we introduce SAT, a simulated spatial aptitude training dataset comprising both static and dynamic spatial reasoning across 175K question-answer (QA) pairs and 20K scenes. Complementing this, we also construct a small (150 image-QAs) yet challenging dynamic spatial test set using real-world images. Leveraging our SAT datasets and 6 existing static spatial benchmarks, we systematically investigate what improves both static and dynamic spatial awareness. Our results reveal that simulations are surprisingly effective at imparting spatial aptitude to MLMs that translate to real images. We show that perfect annotations in simulation are more effective than existing approaches of pseudo-annotating real images. For instance, SAT training improves a LLaVA-13B model by an average 11% and a LLaVA-Video-7B model by an average 8% on multiple spatial benchmarks, including our real-image dynamic test set and spatial reasoning on long videos -- even outperforming some large proprietary models. While reasoning over static relationships improves with synthetic training data, there is still considerable room for improvement for dynamic reasoning questions.

Scientific discovery has long been constrained by human limitations in expertise, physical capability, and sleep cycles. The recent rise of AI scientists and automated laboratories has accelerated both the cognitive and operational aspects of research. However, key limitations persist: AI systems are often confined to virtual environments, while automated laboratories lack the flexibility and autonomy to adaptively test new hypotheses in the physical world. Recent advances in embodied AI, such as generalist robot foundation models, diffusion-based action policies, fine-grained manipulation learning, and sim-to-real transfer, highlight the promise of integrating cognitive and embodied intelligence. This convergence opens the door to closed-loop systems that support iterative, autonomous experimentation and the possibility of serendipitous discovery. In this position paper, we propose the paradigm of Intelligent Science Laboratories (ISLs): a multi-layered, closed-loop framework that deeply integrates cognitive and embodied intelligence. ISLs unify foundation models for scientific reasoning, agent-based workflow orchestration, and embodied agents for robust physical experimentation. We argue that such systems are essential for overcoming the current limitations of scientific discovery and for realizing the full transformative potential of AI-driven science.

Vision-language models (VLMs) struggle with 3D-related tasks such as spatial cognition and physical understanding, which are crucial for real-world applications like robotics and embodied agents. We attribute this to a modality gap between the 3D tasks and the 2D training of VLM, which led to inefficient retrieval of 3D information from 2D input. To bridge this gap, we introduce SandboxVLM, a simple yet effective framework that leverages abstract bounding boxes to encode geometric structure and physical kinematics for VLM. Specifically, we design a 3D Sandbox reconstruction and perception pipeline comprising four stages: generating multi-view priors with abstract control, proxy elevation, multi-view voting and clustering, and 3D-aware reasoning. Evaluated in zero-shot settings across multiple benchmarks and VLM backbones, our approach consistently improves spatial intelligence, achieving an 8.3\% gain on SAT Real compared with baseline methods for instance. These results demonstrate that equipping VLMs with a 3D abstraction substantially enhances their 3D reasoning ability without additional training, suggesting new possibilities for general-purpose embodied intelligence.

Embodied intelligence, a grand challenge in artificial intelligence, is fundamentally constrained by the limited spatial understanding and reasoning capabilities of current models. Prevailing efforts to address this through enhancing Vision-Language Models (VLMs) are trapped in a dilemma: template-based datasets are scalable but structurally rigid, while manual annotation is linguistically diverse but unscalable and, critically, computationally imprecise. We introduce SPRITE, a novel framework that overcomes this dilemma by leveraging simulators and large models to programmatically synthesize scalable, diverse, and high-quality spatial reasoning data. The core innovation of SPRITE is to reframe ground-truth generation as a code-generation task. We utilize LLMs to compile complex spatial questions into executable programs, which are then verified against high-precision scene meta-information extracted from simulators. This ensures our ground truth is both computationally precise and verifiable, while the generative power of LLMs provides vast linguistic diversity. Leveraging this pipeline, we have curated a dataset encompassing 3 simulators, 11k+ scenes, and 300k+ image/video instruction-tuning pairs. We demonstrate that a VLM trained on our data achieves significant performance gains on multiple spatial benchmarks and outperforms other open-source datasets of equivalent size. Furthermore, a scalability analysis confirms our hypothesis that overcoming the low-diversity nature of traditional template methods is essential for building robust, generalizable spatial intelligence. We will make the SPRITE framework code and the full 300k+ dataset publicly available to facilitate future research in spatial intelligence.

Spatial reasoning plays a vital role in both human cognition and machine intelligence, prompting new research into language models' (LMs) capabilities in this regard. However, existing benchmarks reveal shortcomings in evaluating qualitative spatial reasoning (QSR). These benchmarks typically present oversimplified scenarios or unclear natural language descriptions, hindering effective evaluation. We present a novel benchmark for assessing QSR in LMs, which is grounded in realistic 3D simulation data, offering a series of diverse room layouts with various objects and their spatial relationships. This approach provides a more detailed and context-rich narrative for spatial reasoning evaluation, diverging from traditional, toy-task-oriented scenarios. Our benchmark encompasses a broad spectrum of qualitative spatial relationships, including topological, directional, and distance relations. These are presented with different viewing points, varied granularities, and density of relation constraints to mimic real-world complexities. A key contribution is our logic-based consistency-checking tool, which enables the assessment of multiple plausible solutions, aligning with real-world scenarios where spatial relationships are often open to interpretation. Our benchmark evaluation of advanced LMs reveals their strengths and limitations in spatial reasoning. They face difficulties with multi-hop spatial reasoning and interpreting a mix of different view descriptions, pointing to areas for future improvement.

While generalist foundation models like Gemini and GPT-4o demonstrate impressive multi-modal competence, existing evaluations fail to test their intelligence in dynamic, interactive worlds. Static benchmarks lack agency, while interactive benchmarks suffer from a severe modal bottleneck, typically ignoring crucial auditory and temporal cues. To bridge this evaluation chasm, we introduce OmniPlay, a diagnostic benchmark designed not just to evaluate, but to probe the fusion and reasoning capabilities of agentic models across the full sensory spectrum. Built on a core philosophy of modality interdependence, OmniPlay comprises a suite of five game environments that systematically create scenarios of both synergy and conflict, forcing agents to perform genuine cross-modal reasoning. Our comprehensive evaluation of six leading omni-modal models reveals a critical dichotomy: they exhibit superhuman performance on high-fidelity memory tasks but suffer from systemic failures in challenges requiring robust reasoning and strategic planning. We demonstrate that this fragility stems from brittle fusion mechanisms, which lead to catastrophic performance degradation under modality conflict and uncover a counter-intuitive "less is more" paradox, where removing sensory information can paradoxically improve performance. Our findings suggest that the path toward robust AGI requires a research focus beyond scaling to explicitly address synergistic fusion. Our platform is available for anonymous review at https://github.com/fuqingbie/omni-game-benchmark.

The rapid advancement of Large Multimodal Models (LMMs) for 2D images and videos has motivated extending these models to understand 3D scenes, aiming for human-like visual-spatial intelligence. Nevertheless, achieving deep spatial understanding comparable to human capabilities poses significant challenges in model encoding and data acquisition. Existing methods frequently depend on external depth sensors for geometry capture or utilize off-the-shelf algorithms for pre-constructing 3D maps, thereby limiting their scalability, especially with prevalent monocular video inputs and for time-sensitive applications. In this work, we introduce VLM-3R, a unified framework for Vision-Language Models (VLMs) that incorporates 3D Reconstructive instruction tuning. VLM-3R processes monocular video frames by employing a geometry encoder to derive implicit 3D tokens that represent spatial understanding. Leveraging our Spatial-Visual-View Fusion and over 200K curated 3D reconstructive instruction tuning question-answer (QA) pairs, VLM-3R effectively aligns real-world spatial context with language instructions. This enables monocular 3D spatial assistance and embodied reasoning. To facilitate the evaluation of temporal reasoning, we introduce the Vision-Spatial-Temporal Intelligence benchmark, featuring over 138.6K QA pairs across five distinct tasks focused on evolving spatial relationships. Extensive experiments demonstrate that our model, VLM-3R, not only facilitates robust visual-spatial reasoning but also enables the understanding of temporal 3D context changes, excelling in both accuracy and scalability.

Understanding and reasoning about spatial relationships is a fundamental capability for Visual Question Answering (VQA) and robotics. While Vision Language Models (VLM) have demonstrated remarkable performance in certain VQA benchmarks, they still lack capabilities in 3D spatial reasoning, such as recognizing quantitative relationships of physical objects like distances or size differences. We hypothesize that VLMs' limited spatial reasoning capability is due to the lack of 3D spatial knowledge in training data and aim to solve this problem by training VLMs with Internet-scale spatial reasoning data. To this end, we present a system to facilitate this approach. We first develop an automatic 3D spatial VQA data generation framework that scales up to 2 billion VQA examples on 10 million real-world images. We then investigate various factors in the training recipe, including data quality, training pipeline, and VLM architecture. Our work features the first internet-scale 3D spatial reasoning dataset in metric space. By training a VLM on such data, we significantly enhance its ability on both qualitative and quantitative spatial VQA. Finally, we demonstrate that this VLM unlocks novel downstream applications in chain-of-thought spatial reasoning and robotics due to its quantitative estimation capability. Project website: https://spatial-vlm.github.io/

Camera-centric understanding and generation are two cornerstones of spatial intelligence, yet they are typically studied in isolation. We present Puffin, a unified camera-centric multimodal model that extends spatial awareness along the camera dimension. Puffin integrates language regression and diffusion-based generation to interpret and create scenes from arbitrary viewpoints. To bridge the modality gap between cameras and vision-language, we introduce a novel paradigm that treats camera as language, enabling thinking with camera. This guides the model to align spatially grounded visual cues with photographic terminology while reasoning across geometric context. Puffin is trained on Puffin-4M, a large-scale dataset of 4 million vision-language-camera triplets. We incorporate both global camera parameters and pixel-wise camera maps, yielding flexible and reliable spatial generation. Experiments demonstrate Puffin superior performance over specialized models for camera-centric generation and understanding. With instruction tuning, Puffin generalizes to diverse cross-view tasks such as spatial imagination, world exploration, and photography guidance. We will release the code, models, dataset pipeline, and benchmark to advance multimodal spatial intelligence research.

Humans possess the visual-spatial intelligence to remember spaces from sequential visual observations. However, can Multimodal Large Language Models (MLLMs) trained on million-scale video datasets also ``think in space'' from videos? We present a novel video-based visual-spatial intelligence benchmark (VSI-Bench) of over 5,000 question-answer pairs, and find that MLLMs exhibit competitive - though subhuman - visual-spatial intelligence. We probe models to express how they think in space both linguistically and visually and find that while spatial reasoning capabilities remain the primary bottleneck for MLLMs to reach higher benchmark performance, local world models and spatial awareness do emerge within these models. Notably, prevailing linguistic reasoning techniques (e.g., chain-of-thought, self-consistency, tree-of-thoughts) fail to improve performance, whereas explicitly generating cognitive maps during question-answering enhances MLLMs' spatial distance ability.

We present FreeBird, an extensible Julia-based platform for computational studies of phase equilibria at generic interfaces. The package supports a range of system configurations, from atomistic solid surfaces to coarse-grained lattice-gas models, with energies evaluated using classical interatomic potentials or lattice Hamiltonians. Both atomistic and lattice systems accommodate single- or multi-component mixtures with flexibly definable surface and lattice geometries. Implemented sampling algorithms include nested sampling, Wang-Landau sampling, Metropolis Monte Carlo, and, for tractable lattice systems, exact enumeration. Leveraging Julia's type hierarchies and multiple dispatch, FreeBird provides a modular interface that allows seamless integration of system definitions, energy evaluators, and sampling schemes. Designed for flexibility, extensibility, and performance, FreeBird offers a versatile framework for exploring the thermodynamics of interfacial phenomena.

Reconstructing 4D spatial intelligence from visual observations has long been a central yet challenging task in computer vision, with broad real-world applications. These range from entertainment domains like movies, where the focus is often on reconstructing fundamental visual elements, to embodied AI, which emphasizes interaction modeling and physical realism. Fueled by rapid advances in 3D representations and deep learning architectures, the field has evolved quickly, outpacing the scope of previous surveys. Additionally, existing surveys rarely offer a comprehensive analysis of the hierarchical structure of 4D scene reconstruction. To address this gap, we present a new perspective that organizes existing methods into five progressive levels of 4D spatial intelligence: (1) Level 1 -- reconstruction of low-level 3D attributes (e.g., depth, pose, and point maps); (2) Level 2 -- reconstruction of 3D scene components (e.g., objects, humans, structures); (3) Level 3 -- reconstruction of 4D dynamic scenes; (4) Level 4 -- modeling of interactions among scene components; and (5) Level 5 -- incorporation of physical laws and constraints. We conclude the survey by discussing the key challenges at each level and highlighting promising directions for advancing toward even richer levels of 4D spatial intelligence. To track ongoing developments, we maintain an up-to-date project page: https://github.com/yukangcao/Awesome-4D-Spatial-Intelligence.

Recent advancements in artificial intelligence have sparked interest in scientific assistants that could support researchers across the full spectrum of scientific workflows, from literature review to experimental design and data analysis. A key capability for such systems is the ability to process and reason about scientific information in both visual and textual forms - from interpreting spectroscopic data to understanding laboratory setups. Here, we introduce MaCBench, a comprehensive benchmark for evaluating how vision-language models handle real-world chemistry and materials science tasks across three core aspects: data extraction, experimental understanding, and results interpretation. Through a systematic evaluation of leading models, we find that while these systems show promising capabilities in basic perception tasks - achieving near-perfect performance in equipment identification and standardized data extraction - they exhibit fundamental limitations in spatial reasoning, cross-modal information synthesis, and multi-step logical inference. Our insights have important implications beyond chemistry and materials science, suggesting that developing reliable multimodal AI scientific assistants may require advances in curating suitable training data and approaches to training those models.

Trapped ions form an advanced technology platform for quantum information processing with long qubit coherence times, high-fidelity quantum logic gates, optically active qubits, and a potential to scale up in size while preserving a high level of connectivity between qubits. These traits make them attractive not only for quantum computing but also for quantum networking. Dedicated, special-purpose trapped-ion processors in conjunction with suitable interconnecting hardware can be used to form quantum repeaters that enable high-rate quantum communications between distant trapped-ion quantum computers in a network. In this regard, hybrid traps with two distinct species of ions, where one ion species can generate ion-photon entanglement that is useful for optically interfacing with the network and the other has long memory lifetimes, useful for qubit storage, have been proposed for entanglement distribution. We consider an architecture for a repeater based on such dual-species trapped-ion systems. We propose and analyze a protocol based on spatial and temporal mode multiplexing for entanglement distribution across a line network of such repeaters. Our protocol offers enhanced rates compared to rates previously reported for such repeaters. We determine the ion resources required at the repeaters to attain the enhanced rates, and the best rates attainable when constraints are placed on the number of repeaters and the number of ions per repeater. Our results bolster the case for near-term trapped-ion systems as quantum repeaters for long-distance quantum communications.

Humans possess spatial reasoning abilities that enable them to understand spaces through multimodal observations, such as vision and sound. Large multimodal reasoning models extend these abilities by learning to perceive and reason, showing promising performance across diverse spatial tasks. However, systematic reviews and publicly available benchmarks for these models remain limited. In this survey, we provide a comprehensive review of multimodal spatial reasoning tasks with large models, categorizing recent progress in multimodal large language models (MLLMs) and introducing open benchmarks for evaluation. We begin by outlining general spatial reasoning, focusing on post-training techniques, explainability, and architecture. Beyond classical 2D tasks, we examine spatial relationship reasoning, scene and layout understanding, as well as visual question answering and grounding in 3D space. We also review advances in embodied AI, including vision-language navigation and action models. Additionally, we consider emerging modalities such as audio and egocentric video, which contribute to novel spatial understanding through new sensors. We believe this survey establishes a solid foundation and offers insights into the growing field of multimodal spatial reasoning. Updated information about this survey, codes and implementation of the open benchmarks can be found at https://github.com/zhengxuJosh/Awesome-Spatial-Reasoning.

How can a robot efficiently extract a desired object from a shelf when it is fully occluded by other objects? Prior works propose geometric approaches for this problem but do not consider object semantics. Shelves in pharmacies, restaurant kitchens, and grocery stores are often organized such that semantically similar objects are placed close to one another. Can large language models (LLMs) serve as semantic knowledge sources to accelerate robotic mechanical search in semantically arranged environments? With Semantic Spatial Search on Shelves (S^4), we use LLMs to generate affinity matrices, where entries correspond to semantic likelihood of physical proximity between objects. We derive semantic spatial distributions by synthesizing semantics with learned geometric constraints. S^4 incorporates Optical Character Recognition (OCR) and semantic refinement with predictions from ViLD, an open-vocabulary object detection model. Simulation experiments suggest that semantic spatial search reduces the search time relative to pure spatial search by an average of 24% across three domains: pharmacy, kitchen, and office shelves. A manually collected dataset of 100 semantic scenes suggests that OCR and semantic refinement improve object detection accuracy by 35%. Lastly, physical experiments in a pharmacy shelf suggest 47.1% improvement over pure spatial search. Supplementary material can be found at https://sites.google.com/view/s4-rss/home.

Precise control over language model generation is vital for ensuring both safety and reliability. Although prompt engineering and steering are commonly used to intervene in model behaviors, the vast number of parameters in models often results in highly intertwined internal representations. This interdependency can limit control precision and sometimes lead to unintended side effects. Recent research has explored the use of sparse autoencoders (SAE) to disentangle knowledge in high-dimensional spaces for steering. However, these applications have been limited to toy tasks owing to the nontrivial issue of locating atomic knowledge components. In this paper, we propose Steering Target Atoms (STA), a novel method that isolates and manipulates disentangled knowledge components to enhance safety. Comprehensive experiments demonstrate the effectiveness of our approach. Further analysis reveals that steering exhibits superior robustness and flexibility, particularly in adversarial scenarios. We also apply the steering strategy to the large reasoning model, confirming its effectiveness in precise reasoning control.

There has recently been considerable interest in incorporating information retrieval into large language models (LLMs). Retrieval from a dynamically expanding external corpus of text allows a model to incorporate current events and can be viewed as a form of episodic memory. Here we demonstrate that pre-processing the external corpus into semi-structured ''atomic facts'' makes retrieval more efficient. More specifically, we demonstrate that our particular form of atomic facts improves performance on various question answering tasks when the amount of retrieved text is limited. Limiting the amount of retrieval reduces the size of the context and improves inference efficiency.

There has been a surge of interest in language model agents that can navigate virtual environments such as the web or desktop. To navigate such environments, agents benefit from information on the various elements (e.g., buttons, text, or images) present. It remains unclear which element attributes have the greatest impact on agent performance, especially in environments that only provide a graphical representation (i.e., pixels). Here we find that the ordering in which elements are presented to the language model is surprisingly impactful--randomizing element ordering in a webpage degrades agent performance comparably to removing all visible text from an agent's state representation. While a webpage provides a hierarchical ordering of elements, there is no such ordering when parsing elements directly from pixels. Moreover, as tasks become more challenging and models more sophisticated, our experiments suggest that the impact of ordering increases. Finding an effective ordering is non-trivial. We investigate the impact of various element ordering methods in web and desktop environments. We find that dimensionality reduction provides a viable ordering for pixel-only environments. We train a UI element detection model to derive elements from pixels and apply our findings to an agent benchmark--OmniACT--where we only have access to pixels. Our method completes more than two times as many tasks on average relative to the previous state-of-the-art.

Reinterpretable cameras are defined by their post-processing capabilities that exceed traditional imaging. We present "SoDaCam" that provides reinterpretable cameras at the granularity of photons, from photon-cubes acquired by single-photon devices. Photon-cubes represent the spatio-temporal detections of photons as a sequence of binary frames, at frame-rates as high as 100 kHz. We show that simple transformations of the photon-cube, or photon-cube projections, provide the functionality of numerous imaging systems including: exposure bracketing, flutter shutter cameras, video compressive systems, event cameras, and even cameras that move during exposure. Our photon-cube projections offer the flexibility of being software-defined constructs that are only limited by what is computable, and shot-noise. We exploit this flexibility to provide new capabilities for the emulated cameras. As an added benefit, our projections provide camera-dependent compression of photon-cubes, which we demonstrate using an implementation of our projections on a novel compute architecture that is designed for single-photon imaging.

Video foundation models generate visually realistic and temporally coherent content, but their reliability as world simulators depends on whether they capture physical, logical, and spatial constraints. Existing metrics such as Frechet Video Distance (FVD) emphasize perceptual quality and overlook reasoning failures, including violations of causality, physics, and global consistency. We introduce MMGR (Multi-Modal Generative Reasoning Evaluation and Benchmark), a principled evaluation framework based on five reasoning abilities: Physical, Logical, 3D Spatial, 2D Spatial, and Temporal. MMGR evaluates generative reasoning across three domains: Abstract Reasoning (ARC-AGI, Sudoku), Embodied Navigation (real-world 3D navigation and localization), and Physical Commonsense (sports and compositional interactions). MMGR applies fine-grained metrics that require holistic correctness across both video and image generation. We benchmark leading video models (Veo-3, Sora-2, Wan-2.2) and image models (Nano-banana, Nano-banana Pro, GPT-4o-image, Qwen-image), revealing strong performance gaps across domains. Models show moderate success on Physical Commonsense tasks but perform poorly on Abstract Reasoning (below 10 percent accuracy on ARC-AGI) and struggle with long-horizon spatial planning in embodied settings. Our analysis highlights key limitations in current models, including overreliance on perceptual data, weak global state consistency, and objectives that reward visual plausibility over causal correctness. MMGR offers a unified diagnostic benchmark and a path toward reasoning-aware generative world models.

Recent advancements in Multimodal Large Language Models (MLLMs) have significantly enhanced performance on 2D visual tasks. However, improving their spatial intelligence remains a challenge. Existing 3D MLLMs always rely on additional 3D or 2.5D data to incorporate spatial awareness, restricting their utility in scenarios with only 2D inputs, such as images or videos. In this paper, we present Spatial-MLLM, a novel framework for visual-based spatial reasoning from purely 2D observations. Unlike conventional video MLLMs which rely on CLIP-based visual encoders optimized for semantic understanding, our key insight is to unleash the strong structure prior from the feed-forward visual geometry foundation model. Specifically, we propose a dual-encoder architecture: a pretrained 2D visual encoder to extract semantic features, and a spatial encoder-initialized from the backbone of the visual geometry model-to extract 3D structure features. A connector then integrates both features into unified visual tokens for enhanced spatial understanding. Furthermore, we propose a space-aware frame sampling strategy at inference time, which selects the spatially informative frames of a video sequence, ensuring that even under limited token length, the model focuses on frames critical for spatial reasoning. Beyond architecture improvements, we construct the Spatial-MLLM-120k dataset and train the model on it using supervised fine-tuning and GRPO. Extensive experiments on various real-world datasets demonstrate that our spatial-MLLM achieves state-of-the-art performance in a wide range of visual-based spatial understanding and reasoning tasks. Project page: https://diankun-wu.github.io/Spatial-MLLM/.

Spatial reasoning is a fundamental capability of embodied agents and has garnered widespread attention in the field of multimodal large language models (MLLMs). In this work, we propose a novel benchmark, Open3DVQA, to comprehensively evaluate the spatial reasoning capacities of current state-of-the-art (SOTA) foundation models in open 3D space. Open3DVQA consists of 9k VQA samples, collected using an efficient semi-automated tool in a high-fidelity urban simulator. We evaluate several SOTA MLLMs across various aspects of spatial reasoning, such as relative and absolute spatial relationships, situational reasoning, and object-centric spatial attributes. Our results reveal that: 1) MLLMs perform better at answering questions regarding relative spatial relationships than absolute spatial relationships, 2) MLLMs demonstrate similar spatial reasoning abilities for both egocentric and allocentric perspectives, and 3) Fine-tuning large models significantly improves their performance across different spatial reasoning tasks. We believe that our open-source data collection tools and in-depth analyses will inspire further research on MLLM spatial reasoning capabilities. The benchmark is available at https://github.com/WeichenZh/Open3DVQA.

Episodic memory plays a crucial role in various cognitive processes, such as the ability to mentally recall past events. While cognitive science emphasizes the significance of spatial context in the formation and retrieval of episodic memory, the current primary approach to implementing episodic memory in AI systems is through transformers that store temporally ordered experiences, which overlooks the spatial dimension. As a result, it is unclear how the underlying structure could be extended to incorporate the spatial axis beyond temporal order alone and thereby what benefits can be obtained. To address this, this paper explores the use of Spatially-Aware Transformer models that incorporate spatial information. These models enable the creation of place-centric episodic memory that considers both temporal and spatial dimensions. Adopting this approach, we demonstrate that memory utilization efficiency can be improved, leading to enhanced accuracy in various place-centric downstream tasks. Additionally, we propose the Adaptive Memory Allocator, a memory management method based on reinforcement learning that aims to optimize efficiency of memory utilization. Our experiments demonstrate the advantages of our proposed model in various environments and across multiple downstream tasks, including prediction, generation, reasoning, and reinforcement learning. The source code for our models and experiments will be available at https://github.com/junmokane/spatially-aware-transformer.

Hyperdimensional computing (HDC) is a biologically-inspired framework which represents symbols with high-dimensional vectors, and uses vector operations to manipulate them. The ensemble of a particular vector space and a prescribed set of vector operations (including one addition-like for "bundling" and one outer-product-like for "binding") form a *vector symbolic architecture* (VSA). While VSAs have been employed in numerous applications and have been studied empirically, many theoretical questions about VSAs remain open. We analyze the *representation capacities* of four common VSAs: MAP-I, MAP-B, and two VSAs based on sparse binary vectors. "Representation capacity' here refers to bounds on the dimensions of the VSA vectors required to perform certain symbolic tasks, such as testing for set membership i in S and estimating set intersection sizes |X cap Y| for two sets of symbols X and Y, to a given degree of accuracy. We also analyze the ability of a novel variant of a Hopfield network (a simple model of associative memory) to perform some of the same tasks that are typically asked of VSAs. In addition to providing new bounds on VSA capacities, our analyses establish and leverage connections between VSAs, "sketching" (dimensionality reduction) algorithms, and Bloom filters.

Molecular dynamics (MD) provides insights into atomic-scale processes by integrating over time the equations that describe the motion of atoms under the action of interatomic forces. Machine learning models have substantially accelerated MD by providing inexpensive predictions of the forces, but they remain constrained to minuscule time integration steps, which are required by the fast time scale of atomic motion. In this work, we propose FlashMD, a method to predict the evolution of positions and momenta over strides that are between one and two orders of magnitude longer than typical MD time steps. We incorporate considerations on the mathematical and physical properties of Hamiltonian dynamics in the architecture, generalize the approach to allow the simulation of any thermodynamic ensemble, and carefully assess the possible failure modes of such a long-stride MD approach. We validate FlashMD's accuracy in reproducing equilibrium and time-dependent properties, using both system-specific and general-purpose models, extending the ability of MD simulation to reach the long time scales needed to model microscopic processes of high scientific and technological relevance.

The study of the long-time dynamics of quantum systems can be a real challenge, especially in systems like ultracold gases, where the required timescales may be longer than the lifetime of the system itself. In this work, we show that it is possible to access the long-time dynamics of a strongly repulsive atomic gas mixture in shorter times. The shortcut-to-dynamics protocol that we propose does not modify the fate of the observables, but effectively jumps ahead in time without changing the system's inherent evolution. Just like the next-chapter button in a movie player that allows to quickly reach the part of the movie one wants to watch, it is a leap into the future.

We propose SpatialLLM, a novel approach advancing spatial intelligence tasks in complex urban scenes. Unlike previous methods requiring geographic analysis tools or domain expertise, SpatialLLM is a unified language model directly addressing various spatial intelligence tasks without any training, fine-tuning, or expert intervention. The core of SpatialLLM lies in constructing detailed and structured scene descriptions from raw spatial data to prompt pre-trained LLMs for scene-based analysis. Extensive experiments show that, with our designs, pretrained LLMs can accurately perceive spatial distribution information and enable zero-shot execution of advanced spatial intelligence tasks, including urban planning, ecological analysis, traffic management, etc. We argue that multi-field knowledge, context length, and reasoning ability are key factors influencing LLM performances in urban analysis. We hope that SpatialLLM will provide a novel viable perspective for urban intelligent analysis and management. The code and dataset are available at https://github.com/WHU-USI3DV/SpatialLLM.

Large language models (LLMs) have exhibited impressive performance in language comprehension and various reasoning tasks. However, their abilities in spatial reasoning, a crucial aspect of human cognition, remain relatively unexplored. Human possess a remarkable ability to create mental images of unseen objects and actions through a process known as the Mind's Eye, enabling the imagination of the unseen world. Inspired by this cognitive capacity, we propose Visualization-of-Thought (VoT) prompting. VoT aims to elicit spatial reasoning of LLMs by visualizing their reasoning traces, thereby guiding subsequent reasoning steps. We employed VoT for multi-hop spatial reasoning tasks, including natural language navigation, visual navigation, and visual tiling in 2D grid worlds. Experimental results demonstrated that VoT significantly enhances the spatial reasoning abilities of LLMs. Notably, VoT outperformed existing multimodal large language models (MLLMs) in these tasks. While VoT works surprisingly well on LLMs, the ability to generate mental images to facilitate spatial reasoning resembles the mind's eye process, suggesting its potential viability in MLLMs.

Spatial cognition is essential for human intelligence, enabling problem-solving through visual simulations rather than solely relying on verbal reasoning. However, existing AI benchmarks primarily assess verbal reasoning, neglecting the complexities of non-verbal, multi-step visual simulation. We introduce STARE(Spatial Transformations and Reasoning Evaluation), a benchmark designed to rigorously evaluate multimodal large language models on tasks better solved through multi-step visual simulation. STARE features 4K tasks spanning foundational geometric transformations (2D and 3D), integrated spatial reasoning (cube net folding and tangram puzzles), and real-world spatial reasoning (perspective and temporal reasoning), reflecting practical cognitive challenges like object assembly, mechanical diagram interpretation, and everyday spatial navigation. Our evaluations show that models excel at reasoning over simpler 2D transformations, but perform close to random chance on more complex tasks like 3D cube net folding and tangram puzzles that require multi-step visual simulations. Humans achieve near-perfect accuracy but take considerable time (up to 28.9s) on complex tasks, significantly speeding up (down by 7.5 seconds on average) with intermediate visual simulations. In contrast, models exhibit inconsistent performance gains from visual simulations, improving on most tasks but declining in specific cases like tangram puzzles (GPT-4o, o1) and cube net folding (Claude-3.5, Gemini-2.0 Flash), indicating that models may not know how to effectively leverage intermediate visual information.

Solid geometry problem solving demands spatial mathematical reasoning that integrates spatial intelligence and symbolic reasoning. However, most existing multimodal mathematical reasoning benchmarks focus primarily on 2D plane geometry, rely on static datasets prone to data contamination and memorization, and evaluate models solely by final answers, overlooking the reasoning process. To address these limitations, we introduce DynaSolidGeo, the first dynamic benchmark for evaluating genuine spatial reasoning in Vision-Language Models (VLMs). Constructed through a semi-automatic annotation pipeline, DynaSolidGeo contains 503 expert-curated seed questions that can, in principle, dynamically generate an unbounded number of diverse multimodal text-visual instances. Beyond answer accuracy, we incorporate process evaluation based on expert-annotated reasoning chains to measure logical validity and causal coherence. Experiments across representative open-source and closed-source VLMs reveal large performance gaps, severe degradation in dynamic settings, and poor performance on tasks requiring high-level spatial intelligence, such as mental rotation and visualization. The code and dataset are available at https://zgca-ai4edu.github.io/DynaSolidGeo/{DynaSolidGeo}.

Vision-centric hierarchical embodied models have demonstrated strong potential for long-horizon robotic control. However, existing methods lack spatial awareness capabilities, limiting their effectiveness in bridging visual plans to actionable control in complex environments. To address this problem, we propose Spatial Policy (SP), a unified spatial-aware visuomotor robotic manipulation framework via explicit spatial modeling and reasoning. Specifically, we first design a spatial-conditioned embodied video generation module to model spatially guided predictions through a spatial plan table. Then, we propose a spatial-based action prediction module to infer executable actions with coordination. Finally, we propose a spatial reasoning feedback policy to refine the spatial plan table via dual-stage replanning. Extensive experiments show that SP significantly outperforms state-of-the-art baselines, achieving a 33.0% average improvement over the best baseline. With an 86.7% average success rate across 11 diverse tasks, SP substantially enhances the practicality of embodied models for robotic control applications. Code and checkpoints are maintained at https://plantpotatoonmoon.github.io/SpatialPolicy/.

Graph Neural Networks (GNNs) have been widely adopted for drug discovery with molecular graphs. Nevertheless, current GNNs are mainly good at leveraging short-range interactions (SRI) but struggle to capture long-range interactions (LRI), both of which are crucial for determining molecular properties. To tackle this issue, we propose a method that implicitly projects all original atoms into a few Neural Atoms, which abstracts the collective information of atomic groups within a molecule. Specifically, we explicitly exchange the information among neural atoms and project them back to the atoms' representations as an enhancement. With this mechanism, neural atoms establish the communication channels among distant nodes, effectively reducing the interaction scope of arbitrary node pairs into a single hop. To provide an inspection of our method from a physical perspective, we reveal its connection with the traditional LRI calculation method, Ewald Summation. We conduct extensive experiments on three long-range graph benchmarks, covering both graph-level and link-level tasks on molecular graphs. We empirically justify that our method can be equipped with an arbitrary GNN and help to capture LRI.

Spatial reasoning is an important component of human intelligence. We can imagine the shapes of 3D objects and reason about their spatial relations by merely looking at their three-view line drawings in 2D, with different levels of competence. Can deep networks be trained to perform spatial reasoning tasks? How can we measure their "spatial intelligence"? To answer these questions, we present the SPARE3D dataset. Based on cognitive science and psychometrics, SPARE3D contains three types of 2D-3D reasoning tasks on view consistency, camera pose, and shape generation, with increasing difficulty. We then design a method to automatically generate a large number of challenging questions with ground truth answers for each task. They are used to provide supervision for training our baseline models using state-of-the-art architectures like ResNet. Our experiments show that although convolutional networks have achieved superhuman performance in many visual learning tasks, their spatial reasoning performance on SPARE3D tasks is either lower than average human performance or even close to random guesses. We hope SPARE3D can stimulate new problem formulations and network designs for spatial reasoning to empower intelligent robots to operate effectively in the 3D world via 2D sensors. The dataset and code are available at https://ai4ce.github.io/SPARE3D.

Machine-learned force fields have transformed the atomistic modelling of materials by enabling simulations of ab initio quality on unprecedented time and length scales. However, they are currently limited by: (i) the significant computational and human effort that must go into development and validation of potentials for each particular system of interest; and (ii) a general lack of transferability from one chemical system to the next. Here, using the state-of-the-art MACE architecture we introduce a single general-purpose ML model, trained on a public database of 150k inorganic crystals, that is capable of running stable molecular dynamics on molecules and materials. We demonstrate the power of the MACE-MP-0 model -- and its qualitative and at times quantitative accuracy -- on a diverse set problems in the physical sciences, including the properties of solids, liquids, gases, and chemical reactions. The model can be applied out of the box and as a starting or "foundation model" for any atomistic system of interest and is thus a step towards democratising the revolution of ML force fields by lowering the barriers to entry.

Large Multimodal Models (LMMs) have achieved strong performance across a range of vision and language tasks. However, their spatial reasoning capabilities are under-investigated. In this paper, we construct a novel VQA dataset, Spatial-MM, to comprehensively study LMMs' spatial understanding and reasoning capabilities. Our analyses on object-relationship and multi-hop reasoning reveal several important findings. Firstly, bounding boxes and scene graphs, even synthetic ones, can significantly enhance LMMs' spatial reasoning. Secondly, LMMs struggle more with questions posed from the human perspective than the camera perspective about the image. Thirdly, chain of thought (CoT) prompting does not improve model performance on complex multi-hop questions involving spatial relations. % Moreover, spatial reasoning steps are much less accurate than non-spatial ones across MLLMs. Lastly, our perturbation analysis on GQA-spatial reveals that LMMs are much stronger at basic object detection than complex spatial reasoning. We believe our benchmark dataset and in-depth analyses can spark further research on LMMs spatial reasoning. Spatial-MM benchmark is available at: https://github.com/FatemehShiri/Spatial-MM

Scaling has been critical in improving model performance and generalization in machine learning. It involves how a model's performance changes with increases in model size or input data, as well as how efficiently computational resources are utilized to support this growth. Despite successes in other areas, the study of scaling in Neural Network Interatomic Potentials (NNIPs) remains limited. NNIPs act as surrogate models for ab initio quantum mechanical calculations. The dominant paradigm here is to incorporate many physical domain constraints into the model, such as rotational equivariance. We contend that these complex constraints inhibit the scaling ability of NNIPs, and are likely to lead to performance plateaus in the long run. In this work, we take an alternative approach and start by systematically studying NNIP scaling strategies. Our findings indicate that scaling the model through attention mechanisms is efficient and improves model expressivity. These insights motivate us to develop an NNIP architecture designed for scalability: the Efficiently Scaled Attention Interatomic Potential (EScAIP). EScAIP leverages a multi-head self-attention formulation within graph neural networks, applying attention at the neighbor-level representations. Implemented with highly-optimized attention GPU kernels, EScAIP achieves substantial gains in efficiency--at least 10x faster inference, 5x less memory usage--compared to existing NNIPs. EScAIP also achieves state-of-the-art performance on a wide range of datasets including catalysts (OC20 and OC22), molecules (SPICE), and materials (MPTrj). We emphasize that our approach should be thought of as a philosophy rather than a specific model, representing a proof-of-concept for developing general-purpose NNIPs that achieve better expressivity through scaling, and continue to scale efficiently with increased computational resources and training data.

3D molecule generation is crucial for drug discovery and material science, requiring models to process complex multi-modalities, including atom types, chemical bonds, and 3D coordinates. A key challenge is integrating these modalities of different shapes while maintaining SE(3) equivariance for 3D coordinates. To achieve this, existing approaches typically maintain separate latent spaces for invariant and equivariant modalities, reducing efficiency in both training and sampling. In this work, we propose Unified Variational Auto-Encoder for 3D Molecular Latent Diffusion Modeling (UAE-3D), a multi-modal VAE that compresses 3D molecules into latent sequences from a unified latent space, while maintaining near-zero reconstruction error. This unified latent space eliminates the complexities of handling multi-modality and equivariance when performing latent diffusion modeling. We demonstrate this by employing the Diffusion Transformer--a general-purpose diffusion model without any molecular inductive bias--for latent generation. Extensive experiments on GEOM-Drugs and QM9 datasets demonstrate that our method significantly establishes new benchmarks in both de novo and conditional 3D molecule generation, achieving leading efficiency and quality.

Machine learning-based interatomic potentials and force fields depend critically on accurate atomic structures, yet such data are scarce due to the limited availability of experimentally resolved crystals. Although atomic-resolution electron microscopy offers a potential source of structural data, converting these images into simulation-ready formats remains labor-intensive and error-prone, creating a bottleneck for model training and validation. We introduce AutoMat, an end-to-end, agent-assisted pipeline that automatically transforms scanning transmission electron microscopy (STEM) images into atomic crystal structures and predicts their physical properties. AutoMat combines pattern-adaptive denoising, physics-guided template retrieval, symmetry-aware atomic reconstruction, fast relaxation and property prediction via MatterSim, and coordinated orchestration across all stages. We propose the first dedicated STEM2Mat-Bench for this task and evaluate performance using lattice RMSD, formation energy MAE, and structure-matching success rate. By orchestrating external tool calls, AutoMat enables a text-only LLM to outperform vision-language models in this domain, achieving closed-loop reasoning throughout the pipeline. In large-scale experiments over 450 structure samples, AutoMat substantially outperforms existing multimodal large language models and tools. These results validate both AutoMat and STEM2Mat-Bench, marking a key step toward bridging microscopy and atomistic simulation in materials science.The code and dataset are publicly available at https://github.com/yyt-2378/AutoMat and https://huggingface.co/datasets/yaotianvector/STEM2Mat.

Robotic manipulation and navigation are fundamental capabilities of embodied intelligence, enabling effective robot interactions with the physical world. Achieving these capabilities requires a cohesive understanding of the environment, including object recognition to localize target objects, object affordances to identify potential interaction areas and spatial affordances to discern optimal areas for both object placement and robot movement. While Vision-Language Models (VLMs) excel at high-level task planning and scene understanding, they often struggle to infer actionable positions for physical interaction, such as functional grasping points and permissible placement regions. This limitation stems from the lack of fine-grained annotations for object and spatial affordances in their training datasets. To tackle this challenge, we introduce RoboAfford++, a generative AI-enhanced dataset for multimodal affordance learning for both robotic manipulation and navigation. Our dataset comprises 869,987 images paired with 2.0 million question answering (QA) annotations, covering three critical tasks: object affordance recognition to identify target objects based on attributes and spatial relationships, object affordance prediction to pinpoint functional parts for manipulation, and spatial affordance localization to identify free space for object placement and robot navigation. Complementing this dataset, we propose RoboAfford-Eval, a comprehensive benchmark for assessing affordance-aware prediction in real-world scenarios, featuring 338 meticulously annotated samples across the same three tasks. Extensive experimental results reveal the deficiencies of existing VLMs in affordance learning, while fine-tuning on the RoboAfford++ dataset significantly enhances their ability to reason about object and spatial affordances, validating the dataset's effectiveness.

Memory is a fundamental component of AI systems, underpinning large language models (LLMs) based agents. While prior surveys have focused on memory applications with LLMs, they often overlook the atomic operations that underlie memory dynamics. In this survey, we first categorize memory representations into parametric, contextual structured, and contextual unstructured and then introduce six fundamental memory operations: Consolidation, Updating, Indexing, Forgetting, Retrieval, and Compression. We systematically map these operations to the most relevant research topics across long-term, long-context, parametric modification, and multi-source memory. By reframing memory systems through the lens of atomic operations and representation types, this survey provides a structured and dynamic perspective on research, benchmark datasets, and tools related to memory in AI, clarifying the functional interplay in LLMs based agents while outlining promising directions for future researchThe paper list, datasets, methods and tools are available at \href{https://github.com/Elvin-Yiming-Du/Survey_Memory_in_AI{https://github.com/Elvin-Yiming-Du/Survey\_Memory\_in\_AI}.}.

Current safety evaluations for LLM-driven agents primarily focus on atomic harms, failing to address sophisticated threats where malicious intent is concealed or diluted within complex tasks. We address this gap with a two-dimensional analysis of agent safety brittleness under the orthogonal pressures of intent concealment and task complexity. To enable this, we introduce OASIS (Orthogonal Agent Safety Inquiry Suite), a hierarchical benchmark with fine-grained annotations and a high-fidelity simulation sandbox. Our findings reveal two critical phenomena: safety alignment degrades sharply and predictably as intent becomes obscured, and a "Complexity Paradox" emerges, where agents seem safer on harder tasks only due to capability limitations. By releasing OASIS and its simulation environment, we provide a principled foundation for probing and strengthening agent safety in these overlooked dimensions.

Internal world models (WMs) enable agents to understand the world's state and predict transitions, serving as the basis for advanced deliberative reasoning. Recent large Vision-Language Models (VLMs), such as OpenAI o3, GPT-4o and Gemini, exhibit potential as general-purpose WMs. While the latest studies have evaluated and shown limitations in specific capabilities such as visual understanding, a systematic evaluation of VLMs' fundamental WM abilities remains absent. Drawing on comparative psychology and cognitive science, we propose a two-stage framework that assesses Perception (visual, spatial, temporal, quantitative, and motion) and Prediction (mechanistic simulation, transitive inference, compositional inference) to provide an atomic evaluation of VLMs as WMs. Guided by this framework, we introduce WM-ABench, a large-scale benchmark comprising 23 fine-grained evaluation dimensions across 6 diverse simulated environments with controlled counterfactual simulations. Through 660 experiments on 15 latest commercial and open-source VLMs, we find that these models exhibit striking limitations in basic world modeling abilities. For instance, almost all models perform at near-random accuracy when distinguishing motion trajectories. Additionally, they lack disentangled understanding -- e.g., some models tend to believe blue objects move faster than green ones. More rich results and analyses reveal significant gaps between VLMs and human-level world modeling.

In mixed reality (MR) environments, understanding space and creating virtual objects is crucial to providing an intuitive and rich user experience. This paper introduces sMoRe (Spatial Mapping and Object Rendering Environment), an MR application that combines Generative AI (GenAI) with large language models (LLMs) to assist users in creating, placing, and managing virtual objects within physical spaces. sMoRe allows users to use voice or typed text commands to create and place virtual objects using GenAI while specifying spatial constraints. The system leverages LLMs to interpret users' commands, analyze the current scene, and identify optimal locations. Additionally, sMoRe integrates text-to-3D generative AI to dynamically create 3D objects based on users' descriptions. Our user study demonstrates the effectiveness of sMoRe in enhancing user comprehension, interaction, and organization of the MR environment.

Visual Place Recognition (VPR) is often characterized as being able to recognize the same place despite significant changes in appearance and viewpoint. VPR is a key component of Spatial Artificial Intelligence, enabling robotic platforms and intelligent augmentation platforms such as augmented reality devices to perceive and understand the physical world. In this paper, we observe that there are three "drivers" that impose requirements on spatially intelligent agents and thus VPR systems: 1) the particular agent including its sensors and computational resources, 2) the operating environment of this agent, and 3) the specific task that the artificial agent carries out. In this paper, we characterize and survey key works in the VPR area considering those drivers, including their place representation and place matching choices. We also provide a new definition of VPR based on the visual overlap -- akin to spatial view cells in the brain -- that enables us to find similarities and differences to other research areas in the robotics and computer vision fields. We identify numerous open challenges and suggest areas that require more in-depth attention in future works.

Spatial understanding is essential for Multimodal Large Language Models (MLLMs) to support perception, reasoning, and planning in embodied environments. Despite recent progress, existing studies reveal that MLLMs still struggle with spatial understanding. However, existing research lacks a comprehensive and systematic evaluation of these limitations, often restricted to isolated scenarios, such as single-view or video. In this work, we present a systematic analysis of spatial understanding from both data and architectural perspectives across three representative scenarios: single-view, multi-view, and video. We propose a benchmark named MulSeT (Multi-view Spatial Understanding Tasks), and design a series of experiments to analyze the spatial reasoning capabilities of MLLMs. From the data perspective, the performance of spatial understanding converges quickly as the training data increases, and the upper bound is relatively low, especially for tasks that require spatial imagination. This indicates that merely expanding training data is insufficient to achieve satisfactory performance. From the architectural perspective, we find that spatial understanding relies more heavily on the positional encoding within the visual encoder than within the language model, in both cascaded and native MLLMs. Moreover, we explore reasoning injection and envision future improvements through architectural design to optimize spatial understanding. These insights shed light on the limitations of current MLLMs and suggest new directions for improving spatial reasoning capabilities through data scaling and architectural tuning.

This paper challenges the recent paradigm in atomic property prediction that links progress to growing dataset sizes and computational resources. We show that pretraining on a carefully selected, task-relevant dataset can match or even surpass large-scale pretraining, while using as little as 1/24th of the computational cost. We introduce the Chemical Similarity Index (CSI), a novel metric inspired by computer vision's Fr\'echet Inception Distance, for molecular graphs which quantifies the alignment between upstream pretraining datasets and downstream tasks. By selecting the most relevant dataset with minimal CSI distance, we show that models pretrained on a smaller, focused dataset consistently outperform those pretrained on massive, mixed datasets such as JMP, even when those larger datasets include the relevant dataset. Counterintuitively, we also find that indiscriminately adding more data can degrade model performance when the additional data poorly aligns with the task at hand. Our findings highlight that quality often outperforms quantity in pretraining for atomic property prediction.

Spatial reasoning tasks in multi-agent environments such as event prediction, agent type identification, or missing data imputation are important for multiple applications (e.g., autonomous surveillance over sensor networks and subtasks for reinforcement learning (RL)). StarCraft II game replays encode intelligent (and adversarial) multi-agent behavior and could provide a testbed for these tasks; however, extracting simple and standardized representations for prototyping these tasks is laborious and hinders reproducibility. In contrast, MNIST and CIFAR10, despite their extreme simplicity, have enabled rapid prototyping and reproducibility of ML methods. Following the simplicity of these datasets, we construct a benchmark spatial reasoning dataset based on StarCraft II replays that exhibit complex multi-agent behaviors, while still being as easy to use as MNIST and CIFAR10. Specifically, we carefully summarize a window of 255 consecutive game states to create 3.6 million summary images from 60,000 replays, including all relevant metadata such as game outcome and player races. We develop three formats of decreasing complexity: Hyperspectral images that include one channel for every unit type (similar to multispectral geospatial images), RGB images that mimic CIFAR10, and grayscale images that mimic MNIST. We show how this dataset can be used for prototyping spatial reasoning methods. All datasets, code for extraction, and code for dataset loading can be found at https://starcraftdata.davidinouye.com

Despite remarkable progress, multimodal foundation models still exhibit surprising deficiencies in spatial intelligence. In this work, we explore scaling up multimodal foundation models to cultivate spatial intelligence within the SenseNova-SI family, built upon established multimodal foundations including visual understanding models (i.e., Qwen3-VL and InternVL3) and unified understanding and generation models (i.e., Bagel). We take a principled approach to constructing high-performing and robust spatial intelligence by systematically curating SenseNova-SI-8M: eight million diverse data samples under a rigorous taxonomy of spatial capabilities. SenseNova-SI demonstrates unprecedented performance across a broad range of spatial intelligence benchmarks: 68.7% on VSI-Bench, 43.3% on MMSI, 85.6% on MindCube, 54.6% on ViewSpatial, and 50.1% on SITE, while maintaining strong general multimodal understanding (e.g., 84.9% on MMBench-En). More importantly, we analyze the impact of data scaling, discuss early signs of emergent generalization capabilities enabled by diverse data training, analyze the risk of overfitting and language shortcuts, present a preliminary study on spatial chain-of-thought reasoning, and validate the potential downstream application. SenseNova-SI is an ongoing project, and this report will be updated continuously. All newly trained multimodal foundation models are publicly released to facilitate further research in this direction.

Large Language Models (LLMs) are experiencing rapid advancements in complex reasoning, exhibiting remarkable generalization in mathematics and programming. In contrast, while spatial intelligence is fundamental for Vision-Language Models (VLMs) in real-world interaction, the systematic evaluation of their complex reasoning ability within spatial contexts remains underexplored. To bridge this gap, we introduce SIRI-Bench, a benchmark designed to evaluate VLMs' spatial intelligence through video-based reasoning tasks. SIRI-Bench comprises nearly 1K video-question-answer triplets, where each problem is embedded in a realistic 3D scene and captured by video. By carefully designing questions and corresponding 3D scenes, our benchmark ensures that solving the questions requires both spatial comprehension for extracting information and high-level reasoning for deriving solutions, making it a challenging benchmark for evaluating VLMs. To facilitate large-scale data synthesis, we develop an Automatic Scene Creation Engine. This engine, leveraging multiple specialized LLM agents, can generate realistic 3D scenes from abstract math problems, ensuring faithfulness to the original descriptions. Experimental results reveal that state-of-the-art VLMs struggle significantly on SIRI-Bench, underscoring the challenge of spatial reasoning. We hope that our study will bring researchers' attention to spatially grounded reasoning and advance VLMs in visual problem-solving.

New era has unlocked exciting possibilities for extending Large Language Models (LLMs) to tackle 3D vision-language tasks. However, most existing 3D multimodal LLMs (MLLMs) rely on compressing holistic 3D scene information or segmenting independent objects to perform these tasks, which limits their spatial awareness due to insufficient representation of the richness inherent in 3D scenes. To overcome these limitations, we propose Spatial 3D-LLM, a 3D MLLM specifically designed to enhance spatial awareness for 3D vision-language tasks by enriching the spatial embeddings of 3D scenes. Spatial 3D-LLM integrates an LLM backbone with a progressive spatial awareness scheme that progressively captures spatial information as the perception field expands, generating location-enriched 3D scene embeddings to serve as visual prompts. Furthermore, we introduce two novel tasks: 3D object distance measurement and 3D layout editing, and construct a 3D instruction dataset, MODEL, to evaluate the model's spatial awareness capabilities. Experimental results demonstrate that Spatial 3D-LLM achieves state-of-the-art performance across a wide range of 3D vision-language tasks, revealing the improvements stemmed from our progressive spatial awareness scheme of mining more profound spatial information. Our code is available at https://github.com/bjshuyuan/Spatial-3D-LLM.

In this paper, we address the challenging task of multimodal mathematical reasoning by incorporating the ability of "slow thinking" into multimodal large language models (MLLMs). Our core idea is that different levels of reasoning abilities can be combined dynamically to tackle questions with different complexity. To this end, we propose a paradigm of Self-structured Chain of Thought (SCoT), which is composed of minimal semantic atomic steps. Different from existing methods that rely on structured templates or free-form paradigms, our method can not only generate cognitive CoT structures for various complex tasks but also mitigates the phenomenon of overthinking. To introduce structured reasoning capabilities into visual understanding models, we further design a novel AtomThink framework with four key modules, including (i) a data engine to generate high-quality multimodal reasoning paths; (ii) a supervised fine-tuning process with serialized inference data; (iii) a policy-guided multi-turn inference method; and (iv) an atomic capability metric to evaluate the single step utilization rate. We conduct extensive experiments to show that the proposed AtomThink significantly improves the performance of baseline MLLMs, achieving more than 10\% average accuracy gains on MathVista and MathVerse. Compared to state-of-the-art structured CoT approaches, our method not only achieves higher accuracy but also improves data utilization by 5 times and boosts inference efficiency by 85.3\%. Our code is now public available in https://github.com/Quinn777/AtomThink.

Diffusion models are the standard toolkit for generative modelling of 3D atomic systems. However, for different types of atomic systems - such as molecules and materials - the generative processes are usually highly specific to the target system despite the underlying physics being the same. We introduce the All-atom Diffusion Transformer (ADiT), a unified latent diffusion framework for jointly generating both periodic materials and non-periodic molecular systems using the same model: (1) An autoencoder maps a unified, all-atom representations of molecules and materials to a shared latent embedding space; and (2) A diffusion model is trained to generate new latent embeddings that the autoencoder can decode to sample new molecules or materials. Experiments on QM9 and MP20 datasets demonstrate that jointly trained ADiT generates realistic and valid molecules as well as materials, exceeding state-of-the-art results from molecule and crystal-specific models. ADiT uses standard Transformers for both the autoencoder and diffusion model, resulting in significant speedups during training and inference compared to equivariant diffusion models. Scaling ADiT up to half a billion parameters predictably improves performance, representing a step towards broadly generalizable foundation models for generative chemistry. Open source code: https://github.com/facebookresearch/all-atom-diffusion-transformer

Spatial audio quality is a highly multifaceted concept, with many interactions between environmental, geometrical, anatomical, psychological, and contextual considerations. Methods for characterization or evaluation of the geometrical components of spatial audio quality, however, remain scarce, despite being perhaps the least subjective aspect of spatial audio quality to quantify. By considering interchannel time and level differences relative to a reference signal, it is possible to construct a signal model to isolate some of the spatial distortion. By using a combination of least-square optimization and heuristics, we propose a signal decomposition method to isolate the spatial error from a processed signal, in terms of interchannel gain leakages and changes in relative delays. This allows the computation of simple energy-ratio metrics, providing objective measures of spatial and non-spatial signal qualities, with minimal assumptions and no dataset dependency. Experiments demonstrate the robustness of the method against common spatial signal degradation introduced by, e.g., audio compression and music source separation. Implementation is available at https://github.com/karnwatcharasupat/spauq.

Spatial reasoning remains a fundamental challenge for Vision-Language Models (VLMs), with current approaches struggling to achieve robust performance despite recent advances. We identify that this limitation stems from a critical gap: existing methods attempt to learn spatial reasoning directly without establishing the hierarchical foundations of perception and understanding. To address this challenge, we present a comprehensive methodology for building spatial intelligence progressively. We introduce SpatialLadder-26k, a multimodal dataset containing 26,610 samples spanning object localization, single image, multi-view, and video spatial reasoning tasks, constructed through a standardized pipeline that ensures systematic coverage across modalities. Building on this dataset, we design a three-stage progressive training framework that (1) establishes spatial perception through object localization, (2) develops spatial understanding through multi-dimensional spatial tasks, and (3) strengthens complex reasoning via reinforcement learning with verifiable rewards. This approach yields SpatialLadder, a 3B-parameter model that achieves state-of-the-art performance on spatial reasoning benchmarks, with 23.4% average improvement over the base model, surpassing GPT-4o by 20.8% and Gemini-2.0-Flash by 10.1%. Notably, SpatialLadder maintains strong generalization with 7.2% improvement on out-of-domain benchmarks, demonstrating that progressive training from perception to reasoning is essential for robust spatial intelligence.

Spatial reasoning is a critical capability for intelligent robots, yet current vision-language models (VLMs) still fall short of human-level performance in video-based spatial reasoning. This gap mainly stems from two challenges: a semantic-geometric misalignment that prevents consistent 3D understanding, and the absence of persistent memory to retain 3D representation and understanding over time. To address these limitations, we present VLM^2, a Vision-Language Model with persistent Memory for spatial reasoning with a view-consistent, 3D-aware representation purely from 2D video. Specifically, to enhance long-horizon reasoning, we incorporate a dual-memory module, consisting of a working memory that operates as a sliding window to focus on immediate context, and an episodic memory that consolidates and stores critical long-term information. This design enables efficient and long-horizon spatial reasoning with a fixed computational cost. Extensive experiments on multiple benchmarks show that VLM^2 achieves state-of-the-art performance among video-only models, significantly advancing the frontier of visual-spatial intelligence.

Neural architectures that learn potential energy surfaces from molecular data have undergone fast improvement in recent years. A key driver of this success is the Message Passing Neural Network (MPNN) paradigm. Its favorable scaling with system size partly relies upon a spatial distance limit on messages. While this focus on locality is a useful inductive bias, it also impedes the learning of long-range interactions such as electrostatics and van der Waals forces. To address this drawback, we propose Ewald message passing: a nonlocal Fourier space scheme which limits interactions via a cutoff on frequency instead of distance, and is theoretically well-founded in the Ewald summation method. It can serve as an augmentation on top of existing MPNN architectures as it is computationally inexpensive and agnostic to architectural details. We test the approach with four baseline models and two datasets containing diverse periodic (OC20) and aperiodic structures (OE62). We observe robust improvements in energy mean absolute errors across all models and datasets, averaging 10% on OC20 and 16% on OE62. Our analysis shows an outsize impact of these improvements on structures with high long-range contributions to the ground truth energy.

As large language models (LLMs) evolve, their integration with 3D spatial data (3D-LLMs) has seen rapid progress, offering unprecedented capabilities for understanding and interacting with physical spaces. This survey provides a comprehensive overview of the methodologies enabling LLMs to process, understand, and generate 3D data. Highlighting the unique advantages of LLMs, such as in-context learning, step-by-step reasoning, open-vocabulary capabilities, and extensive world knowledge, we underscore their potential to significantly advance spatial comprehension and interaction within embodied Artificial Intelligence (AI) systems. Our investigation spans various 3D data representations, from point clouds to Neural Radiance Fields (NeRFs). It examines their integration with LLMs for tasks such as 3D scene understanding, captioning, question-answering, and dialogue, as well as LLM-based agents for spatial reasoning, planning, and navigation. The paper also includes a brief review of other methods that integrate 3D and language. The meta-analysis presented in this paper reveals significant progress yet underscores the necessity for novel approaches to harness the full potential of 3D-LLMs. Hence, with this paper, we aim to chart a course for future research that explores and expands the capabilities of 3D-LLMs in understanding and interacting with the complex 3D world. To support this survey, we have established a project page where papers related to our topic are organized and listed: https://github.com/ActiveVisionLab/Awesome-LLM-3D.

In recent years, diffusion-based models have demonstrated exceptional performance in searching for simultaneously stable, unique, and novel (S.U.N.) crystalline materials. However, most of these models don't have the ability to change the number of atoms in the crystal during the generation process, which limits the variability of model sampling trajectories. In this paper, we demonstrate the severity of this restriction and introduce a simple yet powerful technique, mirage infusion, which enables diffusion models to change the state of the atoms that make up the crystal from existent to non-existent (mirage) and vice versa. We show that this technique improves model quality by up to times2.5 compared to the same model without this modification. The resulting model, Mirage Atom Diffusion (MiAD), is an equivariant joint diffusion model for de novo crystal generation that is capable of altering the number of atoms during the generation process. MiAD achieves an 8.2% S.U.N. rate on the MP-20 dataset, which substantially exceeds existing state-of-the-art approaches. The source code can be found at https://github.com/andrey-okhotin/miad.git{github.com/andrey-okhotin/miad}.