Chemical reaction data is a pivotal asset, driving advances in competitive fields such as pharmaceuticals, materials science, and industrial chemistry. Its proprietary nature renders it sensitive, as it often includes confidential insights and competitive advantages organizations strive to protect. However, in contrast to this need for confidentiality, the current standard training paradigm for machine learning-based retrosynthesis gathers reaction data from multiple sources into one single edge to train prediction models. This paradigm poses considerable privacy risks as it necessitates broad data availability across organizational boundaries and frequent data transmission between entities, potentially exposing proprietary information to unauthorized access or interception during storage and transfer. In the present study, we introduce the chemical knowledge-informed framework (CKIF), a privacy-preserving approach for learning retrosynthesis models. CKIF enables distributed training across multiple chemical organizations without compromising the confidentiality of proprietary reaction data. Instead of gathering raw reaction data, CKIF learns retrosynthesis models through iterative, chemical knowledge-informed aggregation of model parameters. In particular, the chemical properties of predicted reactants are leveraged to quantitatively assess the observable behaviors of individual models, which in turn determines the adaptive weights used for model aggregation. On a variety of reaction datasets, CKIF outperforms several strong baselines by a clear margin (e.g., ~20% performance improvement over FedAvg on USPTO-50K), showing its feasibility and superiority to stimulate further research on privacy-preserving retrosynthesis.

Recent breakthroughs in autonomous driving have been propelled by advances in robust world modeling, fundamentally transforming how vehicles interpret dynamic scenes and execute safe decision-making. In particular, world models have emerged as a linchpin technology, offering high-fidelity representations of the driving environment that integrate multi-sensor data, semantic cues, and temporal dynamics. This paper systematically reviews recent advances in world models for autonomous driving, proposing a three-tiered taxonomy: 1) Generation of Future Physical World, covering image-, BEV-, OG-, and PC-based generation methods that enhance scene evolution modeling through diffusion models and 4D occupancy forecasting; 2) Behavior Planning for Intelligent Agents, combining rule-driven and learning-based paradigms with cost map optimization and reinforcement learning for trajectory generation in complex traffic conditions; 3) Interaction Between Prediction and Planning, achieving multi-agent collaborative decision-making through latent space diffusion and memory-augmented architectures. The study further analyzes training paradigms including self-supervised learning, multimodal pretraining, and generative data augmentation, while evaluating world models' performance in scene understanding and motion prediction tasks. Future research must address key challenges in self-supervised representation learning, long-tail scenario generation, and multimodal fusion to advance the practical deployment of world models in complex urban environments. Overall, our comprehensive analysis provides a theoretical framework and technical roadmap for harnessing the transformative potential of world models in advancing safe and reliable autonomous driving solutions.

Recent advancements in large language models (LLMs) revolutionize the field of intelligent agents, enabling collaborative multi-agent systems capable of tackling complex problems across various domains. However, the potential of conformity within these systems, analogous to phenomena like conformity bias and groupthink in human group dynamics, remains largely unexplored, raising concerns about their collective problem-solving capabilities and possible ethical implications. This paper presents a comprehensive study on conformity in LLM-driven multi-agent systems, focusing on three aspects: the existence of conformity, the factors influencing conformity, and potential mitigation strategies. In particular, we introduce BenchForm, a new conformity-oriented benchmark, featuring reasoning-intensive tasks and five distinct interaction protocols designed to probe LLMs' behavior in collaborative scenarios. Several representative LLMs are evaluated on BenchForm, using metrics such as conformity rate and independence rate to quantify conformity's impact. Our analysis delves into factors influencing conformity, including interaction time and majority size, and examines how the subject agent rationalizes its conforming behavior. Furthermore, we explore two strategies to mitigate conformity effects, i.e., developing enhanced personas and implementing a reflection mechanism. Several interesting findings regarding LLMs' conformity are derived from empirical results and case studies. We hope that these insights can pave the way for more robust and ethically-aligned collaborative AI systems. Our benchmark and code are available at BenchForm.

Instruction generation is a vital and multidisciplinary research area with broad applications. Existing instruction generation models are limited to generating instructions in a single style from a particular dataset, and the style and content of generated instructions cannot be controlled. Moreover, most existing instruction generation methods also disregard the spatial modeling of the navigation environment. Leveraging the capabilities of Large Language Models (LLMs), we propose C-Instructor, which utilizes the chain-of-thought-style prompt for style-controllable and content-controllable instruction generation. Firstly, we propose a Chain of Thought with Landmarks (CoTL) mechanism, which guides the LLM to identify key landmarks and then generate complete instructions. CoTL renders generated instructions more accessible to follow and offers greater controllability over the manipulation of landmark objects. Furthermore, we present a Spatial Topology Modeling Task to facilitate the understanding of the spatial structure of the environment. Finally, we introduce a Style-Mixed Training policy, harnessing the prior knowledge of LLMs to enable style control for instruction generation based on different prompts within a single model instance. Extensive experiments demonstrate that instructions generated by C-Instructor outperform those generated by previous methods in text metrics, navigation guidance evaluation, and user studies.

Current 3D self-supervised learning methods of 3D scenes face a data desert issue, resulting from the time-consuming and expensive collecting process of 3D scene data. Conversely, 3D shape datasets are easier to collect. Despite this, existing pre-training strategies on shape data offer limited potential for 3D scene understanding due to significant disparities in point quantities. To tackle these challenges, we propose Shape2Scene (S2S), a novel method that learns representations of large-scale 3D scenes from 3D shape data. We first design multiscale and high-resolution backbones for shape and scene level 3D tasks, i.e., MH-P (point-based) and MH-V (voxel-based). MH-P/V establishes direct paths to highresolution features that capture deep semantic information across multiple scales. This pivotal nature makes them suitable for a wide range of 3D downstream tasks that tightly rely on high-resolution features. We then employ a Shape-to-Scene strategy (S2SS) to amalgamate points from various shapes, creating a random pseudo scene (comprising multiple objects) for training data, mitigating disparities between shapes and scenes. Finally, a point-point contrastive loss (PPC) is applied for the pre-training of MH-P/V. In PPC, the inherent correspondence (i.e., point pairs) is naturally obtained in S2SS. Extensive experiments have demonstrated the transferability of 3D representations learned by MH-P/V across shape-level and scene-level 3D tasks. MH-P achieves notable performance on well-known point cloud datasets (93.8% OA on ScanObjectNN and 87.6% instance mIoU on ShapeNetPart). MH-V also achieves promising performance in 3D semantic segmentation and 3D object detection.

Visual acoustic matching (VAM) is pivotal for enhancing the immersive experience, and the task of dereverberation is effective in improving audio intelligibility. Existing methods treat each task independently, overlooking the inherent reciprocity between them. Moreover, these methods depend on paired training data, which is challenging to acquire, impeding the utilization of extensive unpaired data. In this paper, we introduce MVSD, a mutual learning framework based on diffusion models. MVSD considers the two tasks symmetrically, exploiting the reciprocal relationship to facilitate learning from inverse tasks and overcome data scarcity. Furthermore, we employ the diffusion model as foundational conditional converters to circumvent the training instability and over-smoothing drawbacks of conventional GAN architectures. Specifically, MVSD employs two converters: one for VAM called reverberator and one for dereverberation called dereverberator. The dereverberator judges whether the reverberation audio generated by reverberator sounds like being in the conditional visual scenario, and vice versa. By forming a closed loop, these two converters can generate informative feedback signals to optimize the inverse tasks, even with easily acquired one-way unpaired data. Extensive experiments on two standard benchmarks, i.e., SoundSpaces-Speech and Acoustic AVSpeech, exhibit that our framework can improve the performance of the reverberator and dereverberator and better match specified visual scenarios.

This work addresses a new challenge of understanding human nonverbal interaction in social contexts. Nonverbal signals pervade virtually every communicative act. Our gestures, facial expressions, postures, gaze, even physical appearance all convey messages, without anything being said. Despite their critical role in social life, nonverbal signals receive very limited attention as compared to the linguistic counterparts, and existing solutions typically examine nonverbal cues in isolation. Our study marks the first systematic effort to enhance the interpretation of multifaceted nonverbal signals. First, we contribute a novel large-scale dataset, called NVI, which is meticulously annotated to include bounding boxes for humans and corresponding social groups, along with 22 atomic-level nonverbal behaviors under five broad interaction types. Second, we establish a new task NVI-DET for nonverbal interaction detection, which is formalized as identifying triplets in the form from images. Third, we propose a nonverbal interaction detection hypergraph (NVI-DEHR), a new approach that explicitly models high-order nonverbal interactions using hypergraphs. Central to the model is a dual multi-scale hypergraph that adeptly addresses individual-to-individual and group-to-group correlations across varying scales, facilitating interactional feature learning and eventually improving interaction prediction. Extensive experiments on NVI show that NVI-DEHR improves various baselines significantly in NVI-DET. It also exhibits leading performance on HOI-DET, confirming its versatility in supporting related tasks and strong generalization ability. We hope that our study will offer the community new avenues to explore nonverbal signals in more depth.

We present GvSeg, a general video segmentation framework for addressing four different video segmentation tasks (i.e., instance, semantic, panoptic, and exemplar-guided) while maintaining an identical architectural design. Currently, there is a trend towards developing general video segmentation solutions that can be applied across multiple tasks. This streamlines research endeavors and simplifies deployment. However, such a highly homogenized framework in current design, where each element maintains uniformity, could overlook the inherent diversity among different tasks and lead to suboptimal performance. To tackle this, GvSeg: i) provides a holistic disentanglement and modeling for segment targets, thoroughly examining them from the perspective of appearance, position, and shape, and on this basis, ii) reformulates the query initialization, matching and sampling strategies in alignment with the task-specific requirement. These architecture-agnostic innovations empower GvSeg to effectively address each unique task by accommodating the specific properties that characterize them. Extensive experiments on seven gold-standard benchmark datasets demonstrate that GvSeg surpasses all existing specialized/general solutions by a significant margin on four different video segmentation tasks.

Visual knowledge is a new form of knowledge representation that can encapsulate visual concepts and their relations in a succinct, comprehensive, and interpretable manner, with a deep root in cognitive psychology. As the knowledge about the visual world has been identified as an indispensable component of human cognition and intelligence, visual knowledge is poised to have a pivotal role in establishing machine intelligence. With the recent advance of Artificial Intelligence (AI) techniques, large AI models (or foundation models) have emerged as a potent tool capable of extracting versatile patterns from broad data as implicit knowledge, and abstracting them into an outrageous amount of numeric parameters. To pave the way for creating visual knowledge empowered AI machines in this coming wave, we present a timely review that investigates the origins and development of visual knowledge in the pre-big model era, and accentuates the opportunities and unique role of visual knowledge in the big model era.

Protein representation learning is a challenging task that aims to capture the structure and function of proteins from their amino acid sequences. Previous methods largely ignored the fact that not all amino acids are equally important for protein folding and activity. In this article, we propose a neural clustering framework that can automatically discover the critical components of a protein by considering both its primary and tertiary structure information. Our framework treats a protein as a graph, where each node represents an amino acid and each edge represents a spatial or sequential connection between amino acids. We then apply an iterative clustering strategy to group the nodes into clusters based on their 1D and 3D positions and assign scores to each cluster. We select the highest-scoring clusters and use their medoid nodes for the next iteration of clustering, until we obtain a hierarchical and informative representation of the protein. We evaluate on four protein-related tasks: protein fold classification, enzyme reaction classification, gene ontology term prediction, and enzyme commission number prediction. Experimental results demonstrate that our method achieves state-of-the-art performance.