Round-trip Reinforcement Learning: Self-Consistent Training for Better Chemical LLMs

Large Language Models (LLMs) are emerging as versatile foundation models for computational chemistry, handling bidirectional tasks like reaction prediction and retrosynthesis. However, these models often lack round-trip consistency. For instance, a state-of-the-art chemical LLM may successfully caption a molecule, yet be unable to accurately reconstruct the original structure from its own generated text. This inconsistency suggests that models are learning unidirectional memorization rather than flexible mastery. Indeed, recent work has demonstrated a strong correlation between a model's round-trip consistency and its performance on the primary tasks. This strong correlation reframes consistency into a direct target for model improvement. We therefore introduce Round-Trip Reinforcement Learning (RTRL), a novel framework that trains a model to improve its consistency by using the success of a round-trip transformation as a reward signal. We further propose an iterative variant where forward and reverse mappings alternately train each other in a self-improvement loop, a process that is highly data-efficient and notably effective with the massive amount of unlabelled data common in chemistry. Experiments demonstrate that RTRL significantly \textbf{boosts performance and consistency} over strong baselines across supervised, self-supervised, and synthetic data regimes. This work shows that round-trip consistency is not just a desirable property but a trainable objective, offering a new path toward more robust and reliable foundation models.

Addressing accuracy and hallucination of LLMs in Alzheimer's disease research through knowledge graphs

In the past two years, large language model (LLM)-based chatbots, such as ChatGPT, have revolutionized various domains by enabling diverse task completion and question-answering capabilities. However, their application in scientific research remains constrained by challenges such as hallucinations, limited domain-specific knowledge, and lack of explainability or traceability for the response. Graph-based Retrieval-Augmented Generation (GraphRAG) has emerged as a promising approach to improving chatbot reliability by integrating domain-specific contextual information before response generation, addressing some limitations of standard LLMs. Despite its potential, there are only limited studies that evaluate GraphRAG on specific domains that require intensive knowledge, like Alzheimer's disease or other biomedical domains. In this paper, we assess the quality and traceability of two popular GraphRAG systems. We compile a database of 50 papers and 70 expert questions related to Alzheimer's disease, construct a GraphRAG knowledge base, and employ GPT-4o as the LLM for answering queries. We then compare the quality of responses generated by GraphRAG with those from a standard GPT-4o model. Additionally, we discuss and evaluate the traceability of several Retrieval-Augmented Generation (RAG) and GraphRAG systems. Finally, we provide an easy-to-use interface with a pre-built Alzheimer's disease database for researchers to test the performance of both standard RAG and GraphRAG.

GWM: Towards Scalable Gaussian World Models for Robotic Manipulation

Training robot policies within a learned world model is trending due to the inefficiency of real-world interactions. The established image-based world models and policies have shown prior success, but lack robust geometric information that requires consistent spatial and physical understanding of the three-dimensional world, even pre-trained on internet-scale video sources. To this end, we propose a novel branch of world model named Gaussian World Model (GWM) for robotic manipulation, which reconstructs the future state by inferring the propagation of Gaussian primitives under the effect of robot actions. At its core is a latent Diffusion Transformer (DiT) combined with a 3D variational autoencoder, enabling fine-grained scene-level future state reconstruction with Gaussian Splatting. GWM can not only enhance the visual representation for imitation learning agent by self-supervised future prediction training, but can serve as a neural simulator that supports model-based reinforcement learning. Both simulated and real-world experiments depict that GWM can precisely predict future scenes conditioned on diverse robot actions, and can be further utilized to train policies that outperform the state-of-the-art by impressive margins, showcasing the initial data scaling potential of 3D world model.

Beyond Semantic Similarity: Reducing Unnecessary API Calls via Behavior-Aligned Retriever

Tool-augmented large language models (LLMs) leverage external functions to extend their capabilities, but inaccurate function calls can lead to inefficiencies and increased costs.Existing methods address this challenge by fine-tuning LLMs or using demonstration-based prompting, yet they often suffer from high training overhead and fail to account for inconsistent demonstration samples, which misguide the model's invocation behavior. In this paper, we trained a behavior-aligned retriever (BAR), which provides behaviorally consistent demonstrations to help LLMs make more accurate tool-using decisions. To train the BAR, we construct a corpus including different function-calling behaviors, i.e., calling or non-calling.We use the contrastive learning framework to train the BAR with customized positive/negative pairs and a dual-negative contrastive loss, ensuring robust retrieval of behaviorally consistent examples.Experiments demonstrate that our approach significantly reduces erroneous function calls while maintaining high task performance, offering a cost-effective and efficient solution for tool-augmented LLMs.

A Comprehensive Evaluation framework of Alignment Techniques for LLMs

As Large Language Models (LLMs) become increasingly integrated into real-world applications, ensuring their outputs align with human values and safety standards has become critical. The field has developed diverse alignment approaches including traditional fine-tuning methods (RLHF, instruction tuning), post-hoc correction systems, and inference-time interventions, each with distinct advantages and limitations. However, the lack of unified evaluation frameworks makes it difficult to systematically compare these paradigms and guide deployment decisions. This paper introduces a multi-dimensional evaluation of alignment techniques for LLMs, a comprehensive evaluation framework that provides a systematic comparison across all major alignment paradigms. Our framework assesses methods along four key dimensions: alignment detection, alignment quality, computational efficiency, and robustness. Through experiments across diverse base models and alignment strategies, we demonstrate the utility of our framework in identifying strengths and limitations of current state-of-the-art models, providing valuable insights for future research directions.

Spatial-Temporal Multi-Scale Quantization for Flexible Motion Generation

Despite significant advancements in human motion generation, current motion representations, typically formulated as discrete frame sequences, still face two critical limitations: (i) they fail to capture motion from a multi-scale perspective, limiting the capability in complex patterns modeling; (ii) they lack compositional flexibility, which is crucial for model's generalization in diverse generation tasks. To address these challenges, we introduce MSQ, a novel quantization method that compresses the motion sequence into multi-scale discrete tokens across spatial and temporal dimensions. MSQ employs distinct encoders to capture body parts at varying spatial granularities and temporally interpolates the encoded features into multiple scales before quantizing them into discrete tokens. Building on this representation, we establish a generative mask modeling model to effectively support motion editing, motion control, and conditional motion generation. Through quantitative and qualitative analysis, we show that our quantization method enables the seamless composition of motion tokens without requiring specialized design or re-training. Furthermore, extensive evaluations demonstrate that our approach outperforms existing baseline methods on various benchmarks.

LEO-VL: Towards 3D Vision-Language Generalists via Data Scaling with Efficient Representation

Developing 3D-VL generalists capable of understanding 3D scenes and following natural language instructions to perform a wide range of tasks has been a long-standing goal in the 3D-VL community. Despite recent progress, 3D-VL models still lag behind their 2D counterparts in capability and robustness, falling short of the generalist standard. A key obstacle to developing 3D-VL generalists lies in data scalability, hindered by the lack of an efficient scene representation. We propose LEO-VL, a 3D-VL model built upon condensed feature grid (CFG), an efficient scene representation that bridges 2D perception and 3D spatial structure while significantly reducing token overhead. This efficiency unlocks large-scale training towards 3D-VL generalist, for which we curate over 700k high-quality 3D-VL data spanning four domains of real-world indoor scenes and five tasks such as captioning and dialogue. LEO-VL achieves state-of-the-art performance on a variety of 3D QA benchmarks, including SQA3D, MSQA, and Beacon3D. Ablation studies confirm the efficiency of our representation, the importance of task and scene diversity, and the validity of our data curation principle. Furthermore, we introduce SceneDPO, a novel post-training objective that enhances the robustness of 3D-VL models. We hope our findings contribute to the advancement of scalable and robust 3D-VL generalists.

InteractAnything: Zero-shot Human Object Interaction Synthesis via LLM Feedback and Object Affordance Parsing

Recent advances in 3D human-aware generation have made significant progress. However, existing methods still struggle with generating novel Human Object Interaction (HOI) from text, particularly for open-set objects. We identify three main challenges of this task: precise human-object relation reasoning, affordance parsing for any object, and detailed human interaction pose synthesis aligning description and object geometry. In this work, we propose a novel zero-shot 3D HOI generation framework without training on specific datasets, leveraging the knowledge from large-scale pre-trained models. Specifically, the human-object relations are inferred from large language models (LLMs) to initialize object properties and guide the optimization process. Then we utilize a pre-trained 2D image diffusion model to parse unseen objects and extract contact points, avoiding the limitations imposed by existing 3D asset knowledge. The initial human pose is generated by sampling multiple hypotheses through multi-view SDS based on the input text and object geometry. Finally, we introduce a detailed optimization to generate fine-grained, precise, and natural interaction, enforcing realistic 3D contact between the 3D object and the involved body parts, including hands in grasping. This is achieved by distilling human-level feedback from LLMs to capture detailed human-object relations from the text instruction. Extensive experiments validate the effectiveness of our approach compared to prior works, particularly in terms of the fine-grained nature of interactions and the ability to handle open-set 3D objects.

Visual Instruction Tuning with Chain of Region-of-Interest

High-resolution (HR) images are pivotal for enhancing the recognition and understanding capabilities of multimodal large language models (MLLMs). However, directly increasing image resolution can significantly escalate computational demands. In this study, we propose a method called Chain of Region-of-Interest (CoRoI) for Visual Instruction Tuning, aimed at alleviating the computational burden associated with high-resolution images for MLLMs. Drawing inspiration from the selective nature of the human visual system, we recognize that not all regions within high-resolution images carry equal importance. CoRoI seeks to identify and prioritize the most informative regions, thereby enhancing multimodal visual comprehension and recognition while circumventing the need for processing lengthy HR image tokens. Through extensive experiments on 11 benchmarks, we validate the efficacy of CoRoI across varying sizes, ranging from 7B to 34B in parameters. Our models consistently demonstrate superior performance across diverse multimodal benchmarks and tasks. Notably, our method outperforms LLaVA-NeXT on almost all benchmarks and our finetuned 34B model surpasses proprietary methods like Gemini Pro 1.0 on six benchmarks, as well as outperforming GPT-4V on MMB, SEED-I, and MME.

MetaScenes: Towards Automated Replica Creation for Real-world 3D Scans

Embodied AI (EAI) research requires high-quality, diverse 3D scenes to effectively support skill acquisition, sim-to-real transfer, and generalization. Achieving these quality standards, however, necessitates the precise replication of real-world object diversity. Existing datasets demonstrate that this process heavily relies on artist-driven designs, which demand substantial human effort and present significant scalability challenges. To scalably produce realistic and interactive 3D scenes, we first present MetaScenes, a large-scale, simulatable 3D scene dataset constructed from real-world scans, which includes 15366 objects spanning 831 fine-grained categories. Then, we introduce Scan2Sim, a robust multi-modal alignment model, which enables the automated, high-quality replacement of assets, thereby eliminating the reliance on artist-driven designs for scaling 3D scenes. We further propose two benchmarks to evaluate MetaScenes: a detailed scene synthesis task focused on small item layouts for robotic manipulation and a domain transfer task in vision-and-language navigation (VLN) to validate cross-domain transfer. Results confirm MetaScene's potential to enhance EAI by supporting more generalizable agent learning and sim-to-real applications, introducing new possibilities for EAI research. Project website: https://meta-scenes.github.io/.