Breaking Bad Molecules: Are MLLMs Ready for Structure-Level Molecular Detoxification?

Toxicity remains a leading cause of early-stage drug development failure. Despite advances in molecular design and property prediction, the task of molecular toxicity repair - generating structurally valid molecular alternatives with reduced toxicity - has not yet been systematically defined or benchmarked. To fill this gap, we introduce ToxiMol, the first benchmark task for general-purpose Multimodal Large Language Models (MLLMs) focused on molecular toxicity repair. We construct a standardized dataset covering 11 primary tasks and 560 representative toxic molecules spanning diverse mechanisms and granularities. We design a prompt annotation pipeline with mechanism-aware and task-adaptive capabilities, informed by expert toxicological knowledge. In parallel, we propose an automated evaluation framework, ToxiEval, which integrates toxicity endpoint prediction, synthetic accessibility, drug-likeness, and structural similarity into a high-throughput evaluation chain for repair success. We systematically assess nearly 30 mainstream general-purpose MLLMs and design multiple ablation studies to analyze key factors such as evaluation criteria, candidate diversity, and failure attribution. Experimental results show that although current MLLMs still face significant challenges on this task, they begin to demonstrate promising capabilities in toxicity understanding, semantic constraint adherence, and structure-aware molecule editing.

SpaCE-10: A Comprehensive Benchmark for Multimodal Large Language Models in Compositional Spatial Intelligence

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.

Interleave-VLA: Enhancing Robot Manipulation with Interleaved Image-Text Instructions

Vision-Language-Action (VLA) models have shown great promise for generalist robotic manipulation in the physical world. However, existing models are restricted to robot observations and text-only instructions, lacking the flexibility of interleaved multimodal instructions enabled by recent advances in foundation models in the digital world. In this paper, we present Interleave-VLA, the first framework capable of comprehending interleaved image-text instructions and directly generating continuous action sequences in the physical world. It offers a flexible, model-agnostic paradigm that extends state-of-the-art VLA models with minimal modifications and strong zero-shot generalization. A key challenge in realizing Interleave-VLA is the absence of large-scale interleaved embodied datasets. To bridge this gap, we develop an automatic pipeline that converts text-only instructions from real-world datasets in Open X-Embodiment into interleaved image-text instructions, resulting in the first large-scale real-world interleaved embodied dataset with 210k episodes. Through comprehensive evaluation on simulation benchmarks and real-robot experiments, we demonstrate that Interleave-VLA offers significant benefits: 1) it improves out-of-domain generalization to unseen objects by 2-3x compared to state-of-the-art baselines, 2) supports flexible task interfaces, and 3) handles diverse user-provided image instructions in a zero-shot manner, such as hand-drawn sketches. We further analyze the factors behind Interleave-VLA's strong zero-shot performance, showing that the interleaved paradigm effectively leverages heterogeneous datasets and diverse instruction images, including those from the Internet, which demonstrates strong potential for scaling up. Our model and dataset will be open-sourced.

Robotic Visual Instruction

Recently, natural language has been the primary medium for human-robot interaction. However, its inherent lack of spatial precision for robotic control introduces challenges such as ambiguity and verbosity. To address these limitations, we introduce the Robotic Visual Instruction (RoVI), a novel paradigm to guide robotic tasks through an object-centric, hand-drawn symbolic representation. RoVI effectively encodes spatial-temporal information into human-interpretable visual instructions through 2D sketches, utilizing arrows, circles, colors, and numbers to direct 3D robotic manipulation. To enable robots to understand RoVI better and generate precise actions based on RoVI, we present Visual Instruction Embodied Workflow (VIEW), a pipeline formulated for RoVI-conditioned policies. This approach leverages Vision-Language Models (VLMs) to interpret RoVI inputs, decode spatial and temporal constraints from 2D pixel space via keypoint extraction, and then transform them into executable 3D action sequences. We additionally curate a specialized dataset of 15K instances to fine-tune small VLMs for edge deployment, enabling them to effectively learn RoVI capabilities. Our approach is rigorously validated across 11 novel tasks in both real and simulated environments, demonstrating significant generalization capability. Notably, VIEW achieves an 87.5% success rate in real-world scenarios involving unseen tasks that feature multi-step actions, with disturbances, and trajectory-following requirements. Code and Datasets in this paper will be released soon.

Earth-Adapter: Bridge the Geospatial Domain Gaps with Mixture of Frequency Adaptation

Parameter-Efficient Fine-Tuning (PEFT) is a technique that allows us to adapt powerful Foundation Models (FMs) to diverse downstream tasks while preserving and unleashing their inherent capabilities. However, we have observed that existing PEFT methods, which are often designed with natural imagery in mind, struggle when applied to Remote Sensing (RS) scenarios. This is primarily due to their inability to handle artifact influences, a problem particularly severe in RS image features. To tackle this challenge, we introduce Earth-Adapter, the first PEFT method specifically designed for RS artifacts conquering. Earth-Adapter introduces a novel Mixture of Frequency Adaptation process that combines a Mixture of Adapter (MoA) with Discrete Fourier Transformation (DFT). By utilizing DFT, Earth-Adapter can decompose features into different frequency components, precisely separating artifacts from original features. The MoA then dynamically assigns weights to each adapter expert, allowing for the combination of features across various frequency domains. These simple-yet-effective approaches enable Earth-Adapter to more efficiently overcome the disturbances caused by artifacts than previous PEFT methods, significantly enhancing the FMs' performance on RS scenarios. Experiments on Domain Adaptation (DA), and Domain Generalization (DG) semantic segmentation benchmarks showcase the Earth-Adapter's effectiveness. Compared with baseline Rein, Earth-Adapter significantly improves 9.0% mIoU in DA and 3.1% mIoU in DG benchmarks. Our code will be released at https://github.com/VisionXLab/Earth-Adapter.

Can Generative Geospatial Diffusion Models Excel as Discriminative Geospatial Foundation Models?

Self-supervised learning (SSL) has revolutionized representation learning in Remote Sensing (RS), advancing Geospatial Foundation Models (GFMs) to leverage vast unlabeled satellite imagery for diverse downstream tasks. Currently, GFMs primarily focus on discriminative objectives, such as contrastive learning or masked image modeling, owing to their proven success in learning transferable representations. However, generative diffusion models--which demonstrate the potential to capture multi-grained semantics essential for RS tasks during image generation--remain underexplored for discriminative applications. This prompts the question: can generative diffusion models also excel and serve as GFMs with sufficient discriminative power? In this work, we answer this question with SatDiFuser, a framework that transforms a diffusion-based generative geospatial foundation model into a powerful pretraining tool for discriminative RS. By systematically analyzing multi-stage, noise-dependent diffusion features, we develop three fusion strategies to effectively leverage these diverse representations. Extensive experiments on remote sensing benchmarks show that SatDiFuser outperforms state-of-the-art GFMs, achieving gains of up to +5.7% mIoU in semantic segmentation and +7.9% F1-score in classification, demonstrating the capacity of diffusion-based generative foundation models to rival or exceed discriminative GFMs. Code will be released.

CrossEarth: Geospatial Vision Foundation Model for Domain Generalizable Remote Sensing Semantic Segmentation

The field of Remote Sensing Domain Generalization (RSDG) has emerged as a critical and valuable research frontier, focusing on developing models that generalize effectively across diverse scenarios. Despite the substantial domain gaps in RS images that are characterized by variabilities such as location, wavelength, and sensor type, research in this area remains underexplored: (1) Current cross-domain methods primarily focus on Domain Adaptation (DA), which adapts models to predefined domains rather than to unseen ones; (2) Few studies targeting the RSDG issue, especially for semantic segmentation tasks, where existing models are developed for specific unknown domains, struggling with issues of underfitting on other unknown scenarios; (3) Existing RS foundation models tend to prioritize in-domain performance over cross-domain generalization. To this end, we introduce the first vision foundation model for RSDG semantic segmentation, CrossEarth. CrossEarth demonstrates strong cross-domain generalization through a specially designed data-level Earth-Style Injection pipeline and a model-level Multi-Task Training pipeline. In addition, for the semantic segmentation task, we have curated an RSDG benchmark comprising 28 cross-domain settings across various regions, spectral bands, platforms, and climates, providing a comprehensive framework for testing the generalizability of future RSDG models. Extensive experiments on this benchmark demonstrate the superiority of CrossEarth over existing state-of-the-art methods.

CoDA: Instructive Chain-of-Domain Adaptation with Severity-Aware Visual Prompt Tuning

Unsupervised Domain Adaptation (UDA) aims to adapt models from labeled source domains to unlabeled target domains. When adapting to adverse scenes, existing UDA methods fail to perform well due to the lack of instructions, leading their models to overlook discrepancies within all adverse scenes. To tackle this, we propose CoDA which instructs models to distinguish, focus, and learn from these discrepancies at scene and image levels. Specifically, CoDA consists of a Chain-of-Domain (CoD) strategy and a Severity-Aware Visual Prompt Tuning (SAVPT) mechanism. CoD focuses on scene-level instructions to divide all adverse scenes into easy and hard scenes, guiding models to adapt from source to easy domains with easy scene images, and then to hard domains with hard scene images, thereby laying a solid foundation for whole adaptations. Building upon this foundation, we employ SAVPT to dive into more detailed image-level instructions to boost performance. SAVPT features a novel metric Severity that divides all adverse scene images into low-severity and high-severity images. Then Severity directs visual prompts and adapters, instructing models to concentrate on unified severity features instead of scene-specific features, without adding complexity to the model architecture. CoDA achieves SOTA performances on widely-used benchmarks under all adverse scenes. Notably, CoDA outperforms the existing ones by 4.6%, and 10.3% mIoU on the Foggy Driving, and Foggy Zurich benchmarks, respectively. Our code is available at https://github.com/Cuzyoung/CoDA

Transfer Learning across Different Chemical Domains: Virtual Screening of Organic Materials with Deep Learning Models Pretrained on Small Molecule and Chemical Reaction Data

Machine learning prediction of organic materials properties is an efficient virtual screening method ahead of more expensive screening methods. However, this approach has suffered from insufficient labeled data on organic materials to train state-of-the-art machine learning models. In this study, we demonstrate that drug-like small molecule and chemical reaction databases can be used to pretrain the BERT model for the virtual screening of organic materials. Among the BERT models fine-tuned by five virtual screening tasks on organic materials, the USPTO-SMILES pretrained BERT model had R2 > 0.90 for two tasks and R2 > 0.82 for one, which was generally superior to the same models pretrained by the small molecule or organic materials databases, as well as to the other three traditional machine learning models trained directly on the virtual screening task data. The superior performance of the USPTO-SMILES pretrained BERT model is due to the greater variety of organic building blocks in the USPTO database and the broader coverage of the chemical space. The even better performance of the BERT model pretrained externally from a chemical reaction database with additional sources of chemical reactions strengthens our proof of concept that transfer learning across different chemical domains is practical for the virtual screening of organic materials.