Abstract: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.
Abstract:AI-generated content has evolved from monolithic models to modular workflows, particularly on platforms like ComfyUI, enabling customization in creative pipelines. However, crafting effective workflows requires great expertise to orchestrate numerous specialized components, presenting a steep learning curve for users. To address this challenge, we introduce ComfyUI-R1, the first large reasoning model for automated workflow generation. Starting with our curated dataset of 4K workflows, we construct long chain-of-thought (CoT) reasoning data, including node selection, workflow planning, and code-level workflow representation. ComfyUI-R1 is trained through a two-stage framework: (1) CoT fine-tuning for cold start, adapting models to the ComfyUI domain; (2) reinforcement learning for incentivizing reasoning capability, guided by a fine-grained rule-metric hybrid reward, ensuring format validity, structural integrity, and node-level fidelity. Experiments show that our 7B-parameter model achieves a 97\% format validity rate, along with high pass rate, node-level and graph-level F1 scores, significantly surpassing prior state-of-the-art methods that employ leading closed-source models such as GPT-4o and Claude series. Further analysis highlights the critical role of the reasoning process and the advantage of transforming workflows into code. Qualitative comparison reveals our strength in synthesizing intricate workflows with diverse nodes, underscoring the potential of long CoT reasoning in AI art creation.
Abstract: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.
Abstract:We introduce ComfyUI-Copilot, a large language model-powered plugin designed to enhance the usability and efficiency of ComfyUI, an open-source platform for AI-driven art creation. Despite its flexibility and user-friendly interface, ComfyUI can present challenges to newcomers, including limited documentation, model misconfigurations, and the complexity of workflow design. ComfyUI-Copilot addresses these challenges by offering intelligent node and model recommendations, along with automated one-click workflow construction. At its core, the system employs a hierarchical multi-agent framework comprising a central assistant agent for task delegation and specialized worker agents for different usages, supported by our curated ComfyUI knowledge bases to streamline debugging and deployment. We validate the effectiveness of ComfyUI-Copilot through both offline quantitative evaluations and online user feedback, showing that it accurately recommends nodes and accelerates workflow development. Additionally, use cases illustrate that ComfyUI-Copilot lowers entry barriers for beginners and enhances workflow efficiency for experienced users. The ComfyUI-Copilot installation package and a demo video are available at https://github.com/AIDC-AI/ComfyUI-Copilot.
Abstract:We propose AdapTok, an adaptive temporal causal video tokenizer that can flexibly allocate tokens for different frames based on video content. AdapTok is equipped with a block-wise masking strategy that randomly drops tail tokens of each block during training, and a block causal scorer to predict the reconstruction quality of video frames using different numbers of tokens. During inference, an adaptive token allocation strategy based on integer linear programming is further proposed to adjust token usage given predicted scores. Such design allows for sample-wise, content-aware, and temporally dynamic token allocation under a controllable overall budget. Extensive experiments for video reconstruction and generation on UCF-101 and Kinetics-600 demonstrate the effectiveness of our approach. Without additional image data, AdapTok consistently improves reconstruction quality and generation performance under different token budgets, allowing for more scalable and token-efficient generative video modeling.
Abstract:Reinforcement Learning (RL) can mitigate the causal confusion and distribution shift inherent to imitation learning (IL). However, applying RL to end-to-end autonomous driving (E2E-AD) remains an open problem for its training difficulty, and IL is still the mainstream paradigm in both academia and industry. Recently Model-based Reinforcement Learning (MBRL) have demonstrated promising results in neural planning; however, these methods typically require privileged information as input rather than raw sensor data. We fill this gap by designing Raw2Drive, a dual-stream MBRL approach. Initially, we efficiently train an auxiliary privileged world model paired with a neural planner that uses privileged information as input. Subsequently, we introduce a raw sensor world model trained via our proposed Guidance Mechanism, which ensures consistency between the raw sensor world model and the privileged world model during rollouts. Finally, the raw sensor world model combines the prior knowledge embedded in the heads of the privileged world model to effectively guide the training of the raw sensor policy. Raw2Drive is so far the only RL based end-to-end method on CARLA Leaderboard 2.0, and Bench2Drive and it achieves state-of-the-art performance.
Abstract:Language-Guided object recognition in remote sensing imagery is crucial for large-scale mapping and automated data annotation. However, existing open-vocabulary and visual grounding methods rely on explicit category cues, limiting their ability to handle complex or implicit queries that require advanced reasoning. To address this issue, we introduce a new suite of tasks, including Instruction-Oriented Object Counting, Detection, and Segmentation (InstructCDS), covering open-vocabulary, open-ended, and open-subclass scenarios. We further present EarthInstruct, the first InstructCDS benchmark for earth observation. It is constructed from two diverse remote sensing datasets with varying spatial resolutions and annotation rules across 20 categories, necessitating models to interpret dataset-specific instructions. Given the scarcity of semantically rich labeled data in remote sensing, we propose InstructSAM, a training-free framework for instruction-driven object recognition. InstructSAM leverages large vision-language models to interpret user instructions and estimate object counts, employs SAM2 for mask proposal, and formulates mask-label assignment as a binary integer programming problem. By integrating semantic similarity with counting constraints, InstructSAM efficiently assigns categories to predicted masks without relying on confidence thresholds. Experiments demonstrate that InstructSAM matches or surpasses specialized baselines across multiple tasks while maintaining near-constant inference time regardless of object count, reducing output tokens by 89% and overall runtime by over 32% compared to direct generation approaches. We believe the contributions of the proposed tasks, benchmark, and effective approach will advance future research in developing versatile object recognition systems.
Abstract: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.
Abstract: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.
Abstract:Conditional image generation has gained significant attention for its ability to personalize content. However, the field faces challenges in developing task-agnostic, reliable, and explainable evaluation metrics. This paper introduces CIGEval, a unified agentic framework for comprehensive evaluation of conditional image generation tasks. CIGEval utilizes large multimodal models (LMMs) as its core, integrating a multi-functional toolbox and establishing a fine-grained evaluation framework. Additionally, we synthesize evaluation trajectories for fine-tuning, empowering smaller LMMs to autonomously select appropriate tools and conduct nuanced analyses based on tool outputs. Experiments across seven prominent conditional image generation tasks demonstrate that CIGEval (GPT-4o version) achieves a high correlation of 0.4625 with human assessments, closely matching the inter-annotator correlation of 0.47. Moreover, when implemented with 7B open-source LMMs using only 2.3K training trajectories, CIGEval surpasses the previous GPT-4o-based state-of-the-art method. Case studies on GPT-4o image generation highlight CIGEval's capability in identifying subtle issues related to subject consistency and adherence to control guidance, indicating its great potential for automating evaluation of image generation tasks with human-level reliability.