Retrosynthesis, the process of identifying precursors for a target molecule, is essential for material design and drug discovery (Blakemore et al, 2018). However, the huge search space for possible chemical transformations and enormous time required even for experts make this challenging. Thus, efficient computerassisted synthesis (Corey and Wipke, 1969; Corey et al, 1985; Coley et al, 2017) has been explored for long periods. Thanks to recent advances in artificial intelligence, machine learning (ML)-based methods (Segler et al, 2018; Mikulak-Klucznik et al, 2020; Schwaller et al, 2021; Toniato et al, 2021; Yu et al, 2023; Born and Manica, 2023) have emerged to assist chemists to design experiments and gain insights that might not be solely achievable through traditional methods, bringing retrosynthesis research to a new pivotal moment. The ML-based methods for single-step retrosynthesis can be roughly categorized into three groups: Template-based methods predict reactants using reaction templates that encode core reactive rules. LHASA (Corey et al, 1985), the first retrosynthesis program, utilizes manual-encoding templates to predict retrosynthetic routes. To scale to exponentially growing knowledge (Segler et al, 2018), data-driven methods (Segler and Waller, 2017; Coley et al, 2017; Dai et al, 2019; Baylon et al, 2019; Chen and Jung, 2021) extract a large number of reaction templates from data and formulate retrosynthesis as a template retrieval/classification task. Semi-template methods (Shi et al, 2020; Yan et al, 2020; Somnath et al, 2021; Wang et al, 2021) decompose retrosynthesis into two stages: they typically (1) identify the reactive sites to convert the product into synthons and (2) complete the synthons into reactant(s), which utilize "reaction centers" in templates to supervise the training procedure (Sun et al, 2021). Template-free methods view single-step retrosynthesis prediction as a machine translation task, where deep generative models directly translate the given product into reactant(s).

The field of AI agents is advancing at an unprecedented rate due to the capabilities of large language models (LLMs). However, LLM-driven visual agents mainly focus on solving tasks for the image modality, which limits their ability to understand the dynamic nature of the real world, making it still far from real-life applications, e.g., guiding students in laboratory experiments and identifying their mistakes. Considering the video modality better reflects the ever-changing and perceptually intensive nature of real-world scenarios, we devise DoraemonGPT, a comprehensive and conceptually elegant system driven by LLMs to handle dynamic video tasks. Given a video with a question/task, DoraemonGPT begins by converting the input video with massive content into a symbolic memory that stores \textit{task-related} attributes. This structured representation allows for spatial-temporal querying and reasoning by sub-task tools, resulting in concise and relevant intermediate results. Recognizing that LLMs have limited internal knowledge when it comes to specialized domains (e.g., analyzing the scientific principles underlying experiments), we incorporate plug-and-play tools to assess external knowledge and address tasks across different domains. Moreover, we introduce a novel LLM-driven planner based on Monte Carlo Tree Search to efficiently explore the large planning space for scheduling various tools. The planner iteratively finds feasible solutions by backpropagating the result's reward, and multiple solutions can be summarized into an improved final answer. We extensively evaluate DoraemonGPT in dynamic scenes and provide in-the-wild showcases demonstrating its ability to handle more complex questions than previous studies.

3D Gaussian splatting (3D GS) has recently emerged as a transformative technique in the explicit radiance field and computer graphics landscape. This innovative approach, characterized by the utilization of millions of 3D Gaussians, represents a significant departure from the neural radiance field (NeRF) methodologies, which predominantly use implicit, coordinate-based models to map spatial coordinates to pixel values. 3D GS, with its explicit scene representations and differentiable rendering algorithms, not only promises real-time rendering capabilities but also introduces unprecedented levels of control and editability. This positions 3D GS as a potential game-changer for the next generation of 3D reconstruction and representation. In the present paper, we provide the first systematic overview of the recent developments and critical contributions in the domain of 3D GS. We begin with a detailed exploration of the underlying principles and the driving forces behind the advent of 3D GS, setting the stage for understanding its significance. A focal point of our discussion is the practical applicability of 3D GS. By facilitating real-time performance, 3D GS opens up a plethora of applications, ranging from virtual reality to interactive media and beyond. This is complemented by a comparative analysis of leading 3D GS models, evaluated across various benchmark tasks to highlight their performance and practical utility. The survey concludes by identifying current challenges and suggesting potential avenues for future research in this domain. Through this survey, we aim to provide a valuable resource for both newcomers and seasoned researchers, fostering further exploration and advancement in applicable and explicit radiance field representation.

Neural-symbolic computing (NeSy), which pursues the integration of the symbolic and statistical paradigms of cognition, has been an active research area of Artificial Intelligence (AI) for many years. As NeSy shows promise of reconciling the advantages of reasoning and interpretability of symbolic representation and robust learning in neural networks, it may serve as a catalyst for the next generation of AI. In the present paper, we provide a systematic overview of the recent developments and important contributions of NeSy research. Firstly, we introduce study history of this area, covering early work and foundations. We further discuss background concepts and identify key driving factors behind the development of NeSy. Afterward, we categorize recent landmark approaches along several main characteristics that underline this research paradigm, including neural-symbolic integration, knowledge representation, knowledge embedding, and functionality. Next, we briefly discuss the successful application of modern NeSy approaches in several domains. Then, we benchmark several NeSy methods on three representative application tasks. Finally, we identify the open problems together with potential future research directions. This survey is expected to help new researchers enter this rapidly evolving field and accelerate the progress towards data-and knowledge-driven AI.

VLN-CE is a recently released embodied task, where AI agents need to navigate a freely traversable environment to reach a distant target location, given language instructions. It poses great challenges due to the huge space of possible strategies. Driven by the belief that the ability to anticipate the consequences of future actions is crucial for the emergence of intelligent and interpretable planning behavior, we propose DREAMWALKER -- a world model based VLN-CE agent. The world model is built to summarize the visual, topological, and dynamic properties of the complicated continuous environment into a discrete, structured, and compact representation. DREAMWALKER can simulate and evaluate possible plans entirely in such internal abstract world, before executing costly actions. As opposed to existing model-free VLN-CE agents simply making greedy decisions in the real world, which easily results in shortsighted behaviors, DREAMWALKER is able to make strategic planning through large amounts of ``mental experiments.'' Moreover, the imagined future scenarios reflect our agent's intention, making its decision-making process more transparent. Extensive experiments and ablation studies on VLN-CE dataset confirm the effectiveness of the proposed approach and outline fruitful directions for future work.

Vision-language navigation (VLN), which entails an agent to navigate 3D environments following human instructions, has shown great advances. However, current agents are built upon panoramic observations, which hinders their ability to perceive 3D scene geometry and easily leads to ambiguous selection of panoramic view. To address these limitations, we present a BEV Scene Graph (BSG), which leverages multi-step BEV representations to encode scene layouts and geometric cues of indoor environment under the supervision of 3D detection. During navigation, BSG builds a local BEV representation at each step and maintains a BEV-based global scene map, which stores and organizes all the online collected local BEV representations according to their topological relations. Based on BSG, the agent predicts a local BEV grid-level decision score and a global graph-level decision score, combined with a sub-view selection score on panoramic views, for more accurate action prediction. Our approach significantly outperforms state-of-the-art methods on REVERIE, R2R, and R4R, showing the potential of BEV perception in VLN.

Point cloud analysis (such as 3D segmentation and detection) is a challenging task, because of not only the irregular geometries of many millions of unordered points, but also the great variations caused by depth, viewpoint, occlusion, etc. Current studies put much focus on the adaption of neural networks to the complex geometries of point clouds, but are blind to a fundamental question: how to learn an appropriate point embedding space that is aware of both discriminative semantics and challenging variations? As a response, we propose a clustering based supervised learning scheme for point cloud analysis. Unlike current de-facto, scene-wise training paradigm, our algorithm conducts within-class clustering on the point embedding space for automatically discovering subclass patterns which are latent yet representative across scenes. The mined patterns are, in turn, used to repaint the embedding space, so as to respect the underlying distribution of the entire training dataset and improve the robustness to the variations. Our algorithm is principled and readily pluggable to modern point cloud segmentation networks during training, without extra overhead during testing. With various 3D network architectures (i.e., voxel-based, point-based, Transformer-based, automatically searched), our algorithm shows notable improvements on famous point cloud segmentation datasets (i.e.,2.0-2.6% on single-scan and 2.0-2.2% multi-scan of SemanticKITTI, 1.8-1.9% on S3DIS, in terms of mIoU). Our algorithm also demonstrates utility in 3D detection, showing 2.0-3.4% mAP gains on KITTI.

As the size of transformer-based models continues to grow, fine-tuning these large-scale pretrained vision models for new tasks has become increasingly parameter-intensive. Parameter-efficient learning has been developed to reduce the number of tunable parameters during fine-tuning. Although these methods show promising results, there is still a significant performance gap compared to full fine-tuning. To address this challenge, we propose an Effective and Efficient Visual Prompt Tuning (E^2VPT) approach for large-scale transformer-based model adaptation. Specifically, we introduce a set of learnable key-value prompts and visual prompts into self-attention and input layers, respectively, to improve the effectiveness of model fine-tuning. Moreover, we design a prompt pruning procedure to systematically prune low importance prompts while preserving model performance, which largely enhances the model's efficiency. Empirical results demonstrate that our approach outperforms several state-of-the-art baselines on two benchmarks, with considerably low parameter usage (e.g., 0.32% of model parameters on VTAB-1k). Our code is available at https://github.com/ChengHan111/E2VPT.

Vision-language navigation is a task that requires an agent to follow instructions to navigate in environments. It becomes increasingly crucial in the field of embodied AI, with potential applications in autonomous navigation, search and rescue, and human-robot interaction. In this paper, we propose to address a more practical yet challenging counterpart setting - vision-language navigation in continuous environments (VLN-CE). To develop a robust VLN-CE agent, we propose a new navigation framework, ETPNav, which focuses on two critical skills: 1) the capability to abstract environments and generate long-range navigation plans, and 2) the ability of obstacle-avoiding control in continuous environments. ETPNav performs online topological mapping of environments by self-organizing predicted waypoints along a traversed path, without prior environmental experience. It privileges the agent to break down the navigation procedure into high-level planning and low-level control. Concurrently, ETPNav utilizes a transformer-based cross-modal planner to generate navigation plans based on topological maps and instructions. The plan is then performed through an obstacle-avoiding controller that leverages a trial-and-error heuristic to prevent navigation from getting stuck in obstacles. Experimental results demonstrate the effectiveness of the proposed method. ETPNav yields more than 10% and 20% improvements over prior state-of-the-art on R2R-CE and RxR-CE datasets, respectively. Our code is available at https://github.com/MarSaKi/ETPNav.

Recently, visual-language navigation (VLN) -- entailing robot agents to follow navigation instructions -- has shown great advance. However, existing literature put most emphasis on interpreting instructions into actions, only delivering "dumb" wayfinding agents. In this article, we devise LANA, a language-capable navigation agent which is able to not only execute human-written navigation commands, but also provide route descriptions to humans. This is achieved by simultaneously learning instruction following and generation with only one single model. More specifically, two encoders, respectively for route and language encoding, are built and shared by two decoders, respectively, for action prediction and instruction generation, so as to exploit cross-task knowledge and capture task-specific characteristics. Throughout pretraining and fine-tuning, both instruction following and generation are set as optimization objectives. We empirically verify that, compared with recent advanced task-specific solutions, LANA attains better performances on both instruction following and route description, with nearly half complexity. In addition, endowed with language generation capability, LANA can explain to humans its behaviors and assist human's wayfinding. This work is expected to foster future efforts towards building more trustworthy and socially-intelligent navigation robots.