Retrosynthesis planning is a fundamental challenge in chemistry which aims at designing multi-step reaction pathways from commercially available starting materials to a target molecule. Each step in multi-step retrosynthesis planning requires accurate prediction of possible precursor molecules given the target molecule and confidence estimates to guide heuristic search algorithms. We model single-step retrosynthesis as a distribution learning problem in a discrete state space. First, we introduce the Markov Bridge Model, a generative framework aimed to approximate the dependency between two intractable discrete distributions accessible via a finite sample of coupled data points. Our framework is based on the concept of a Markov bridge, a Markov process pinned at its endpoints. Unlike diffusion-based methods, our Markov Bridge Model does not need a tractable noise distribution as a sampling proxy and directly operates on the input product molecules as samples from the intractable prior distribution. We then address the retrosynthesis planning problem with our novel framework and introduce RetroBridge, a template-free retrosynthesis modeling approach that achieves state-of-the-art results on standard evaluation benchmarks.
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Theory · Reinforcement Learning and Planning
Risk-sensitive reinforcement learning (RL) aims to optimize policies that balance the expected reward and risk. In this paper, we present a novel risk-sensitive RL framework that employs an Iterated Conditional Value-at-Risk (CVaR) objective under both linear and general function approximations, enriched by human feedback. These new formulations provide a principled way to guarantee safety in each decision making step throughout the control process. Moreover, integrating human feedback into risk-sensitive RL framework bridges the gap between algorithmic decision-making and human participation, allowing us to also guarantee safety for human-in-the-loop systems. We propose provably sample-efficient algorithms for this Iterated CVaR RL and provide rigorous theoretical analysis. Furthermore, we establish a matching lower bound to corroborate the optimality of our algorithms in a linear context.
Applications · Computer Vision
Can we better anticipate an actor’s future actions (e.g. mix eggs) by knowing what commonly happens after the current action (e.g. crack eggs)? What if the actor also shares the goal (e.g. make fried rice) with us? The long-term action anticipation (LTA) task aims to predict an actor’s future behavior from video observations in the form of verb and noun sequences, and it is crucial for human-machine interaction.We propose to formulate the LTA task from two perspectives: a bottom-up approach that predicts the next actions autoregressively by modeling temporal dynamics; and a top-down approach that infers the goal of the actor and plans the needed procedure to accomplish the goal. We hypothesize that large language models (LLMs), which have been pretrained on procedure text data (e.g. recipes, how-tos),have the potential to help LTA from both perspectives. It can help provide the prior knowledge on the possible next actions, and infer the goal given the observed part of a procedure, respectively. We propose AntGPT, which represents video observations as sequences of human actions, and uses the action representation for an LLM to infer the goals and model temporal dynamics. AntGPT achieves state-of-the-art performance on Ego4D LTA v1 and v2, EPIC-Kitchens-55, as well as EGTEA GAZE+, thanks to LLMs’ goal inference and temporal dynamics modeling capabilities. We further demonstrate that these capabilities can be effectively distilled into a compact neural network 1.3% of the original LLM model size. Code and model will be released upon acceptance.
Reinforcement Learning · Deep RL
We present a scalable and effective exploration strategy based on Thompson sampling for reinforcement learning (RL). One of the key shortcomings of existing Thompson sampling algorithms is the need to perform a Gaussian approximation of the posterior distribution, which is not a good surrogate in most practical settings. We instead directly sample the Q function from its posterior distribution, by using Langevin Monte Carlo, an efficient type of Markov Chain Monte Carlo (MCMC) method. Our method only needs to perform noisy gradient descent updates to learn the exact posterior distribution of the Q function, which makes our approach easy to deploy in deep RL. We provide a rigorous theoretical analysis for the proposed method and demonstrate that, in the linear Markov decision process (linear MDP) setting, it has a regret bound of $\tilde{O}(d^{3/2}H^{3/2}\sqrt{T})$, where $d$ is the dimension of the feature mapping, $H$ is the planning horizon, and $T$ is the total number of steps. We apply this approach to deep RL, by using Adam optimizer to perform gradient updates. Our approach achieves better or similar results compared with state-of-the-art deep RL algorithms on several challenging exploration tasks from the Atari57 suite.
This study focuses on using large language models (LLMs) as a planner for embodied agents that can follow natural language instructions to complete complex tasks in a visually-perceived environment. The high data cost and poor sample efficiency of existing methods hinders the development of versatile agents that are capable of many tasks and can learn new tasks quickly. In this work, we propose a novel method, LLM-Planner, that harnesses the power of large language models to do few-shot planning for embodied agents. We further propose a simple but effective way to enhance LLMs with physical grounding to generate and update plans that are grounded in the current environment. Experiments on the ALFRED dataset show that our method can achieve very competitive few-shot performance: Despite using less than 0.5% of paired training data, LLM-Planner achieves competitive performance with recent baselines that are trained using the full training data. Existing methods can barely complete any task successfully under the same few-shot setting. Our work opens the door for developing versatile and sample-efficient embodied agents that can quickly learn many tasks.
ARNOLD: A Benchmark for Language-Grounded Task Learning with Continuous States in Realistic 3D Scenes
PDF ↗Understanding the continuous states of objects is essential for task learning and planning in the real world. However, most existing task learning benchmarks assume discrete (e.g., binary) object states, which poses challenges for learning complex tasks and transferring learned policy from the simulated environment to the real world. Furthermore, the robot's ability to follow human instructions based on grounding the actions and states is limited. To tackle these challenges, we present ARNOLD, a benchmark that evaluates language-grounded task learning with continuous states in realistic 3D scenes. ARNOLD consists of 8 language-conditioned tasks that involve understanding object states and learning policies for continuous goals. To promote language-instructed learning, we provide expert demonstrations with template-generated language descriptions. We assess task performance by utilizing the latest language-conditioned policy learning models. Our results indicate that current models for language-conditioned manipulations continue to experience significant challenges when it comes to novel goal-state generalizations, scene generalizations, and object generalizations. These findings highlight the need to develop new algorithms to address this gap and underscore the potential for further research in this area.
ReLeaPS : Reinforcement Learning-based Illumination Planning for Generalized Photometric Stereo
PDF ↗Illumination planning in photometric stereo aims to find a balance between tween surface normal estimation accuracy and image capturing efficiency by selecting optimal light configurations. It depends on factors such as the unknown shape and general reflectance of the target object, global illumination, and the choice of photometric stereo backbones, which are too complex to be handled by existing methods based on handcrafted illumination planning rules. This paper proposes a learning-based illumination planning method that jointly considers these factors via integrating a neural network and a generalized image formation model. As it is impractical to supervise illumination planning due to the enormous search space for ground truth light configurations, we formulate illumination planning using reinforcement learning, which explores the light space in a photometric stereo-aware and reward-driven manner. Experiments on synthetic and real-world datasets demonstrate that photometric stereo under the 20-light configurations from our method is comparable to, or even surpasses that of using lights from all available directions.
The field of visual representation learning has seen explosive growth in the past years, but its benefits in robotics have been surprisingly limited so far. Prior work uses generic visual representations as a basis to learn (task-specific) robot action policies (e.g., via behavior cloning). While the visual representations do accelerate learning, they are primarily used to encode visual observations. Thus, action information has to be derived purely from robot data, which is expensive to collect! In this work, we present a scalable alternative where the visual representations can help directly infer robot actions. We observe that vision encoders express relationships between image observations as distances (e.g., via embedding dot product) that could be used to efficiently plan robot behavior. We operationalize this insight and develop a simple algorithm for acquiring a distance function and dynamics predictor, by fine-tuning a pre-trained representation on human collected video sequences. The final method is able to substantially outperform traditional robot learning baselines (e.g., 70% success v.s. 50% for behavior cloning on pick-place) on a suite of diverse real-world manipulation tasks. It can also generalize to novel objects, without using any robot demonstrations during train time. For visualizations of the learned policies please check: https://agi-labs.github.io/manipulate-by-seeing/
In our pursuit of advancing multi-modal AI assistants capable of guiding users to achieve complex multi-step goals, we propose the task of 'Visual Planning for Assistance (VPA)'. Given a succinct natural language goal, e.g., "make a shelf", and a video of the user's progress so far, the aim of VPA is to devise a plan, i.e., a sequence of actions such as "sand shelf", "paint shelf", etc. to realize the specified goal. This requires assessing the user's progress from the (untrimmed) video, and relating it to the requirements of natural language goal, i.e., which actions to select and in what order? Consequently, this requires handling long video history and arbitrarily complex action dependencies. To address these challenges, we decompose VPA into video action segmentation and forecasting. Importantly, we experiment by formulating the forecasting step as a multi-modal sequence modeling problem, allowing us to leverage the strength of pre-trained LMs (as the sequence model). This novel approach, which we call Visual Language Model based Planner (VLaMP), outperforms baselines across a suite of metrics that gauge the quality of the generated plans. Furthermore, through comprehensive ablations, we also isolate the value of each component--language pre-training, visual observations, and goal information. We have open-sourced all the data, model checkpoints, and training code.
Parametric Depth Based Feature Representation Learning for Object Detection and Segmentation in Bird's-Eye View
PDF ↗Recent vision-only perception models for autonomous driving achieved promising results by encoding multi-view image features into Bird's-Eye-View (BEV) space. A critical step and the main bottleneck of these methods is transforming image features into the BEV coordinate frame. This paper focuses on leveraging geometry information, such as depth, to model such feature transformation. Existing works rely on non-parametric depth distribution modeling leading to significant memory consumption, or ignore the geometry information to address this problem. In contrast, we propose to use parametric depth distribution modeling for feature transformation. We first lift the 2D image features to the 3D space defined for the ego vehicle via a predicted parametric depth distribution for each pixel in each view. Then, we aggregate the 3D feature volume based on the 3D space occupancy derived from depth to the BEV frame. Finally, we use the transformed features for downstream tasks such as object detection and semantic segmentation. Existing semantic segmentation methods do also suffer from an hallucination problem as they do not take visibility information into account. This hallucination can be particularly problematic for subsequent modules such as control and planning. To mitigate the issue, our method provides depth uncertainty and reliable visibility-aware estimations. We further leverage our parametric depth modeling to present a novel visibility-aware evaluation metric that, when taken into account, can mitigate the hallucination problem. Extensive experiments on object detection and semantic segmentation on the nuScenes datasets demonstrate that our method outperforms existing methods on both tasks.
Geospatial technologies are becoming increasingly essential in our world for a wide range of applications, including agriculture, urban planning, and disaster response. To help improve the applicability and performance of deep learning models on these geospatial tasks, various works have begun investigating foundation models for this domain. Researchers have explored two prominent approaches for introducing such models in geospatial applications, but both have drawbacks in terms of limited performance benefit or prohibitive training cost. Therefore, in this work, we propose a novel paradigm for building highly effective geospatial foundation models with minimal resource cost and carbon impact. We first construct a compact yet diverse dataset from multiple sources to promote feature diversity, which we term GeoPile. Then, we investigate the potential of continual pretraining from large-scale ImageNet-22k models and propose a multi-objective continual pretraining paradigm, which leverages the strong representations of ImageNet while simultaneously providing the freedom to learn valuable in-domain features. Our approach outperforms previous state-of-the-art geospatial pretraining methods in an extensive evaluation on seven downstream datasets covering various tasks such as change detection, classification, multi-label classification, semantic segmentation, and super-resolution. Code is available at https://github.com/mmendiet/GFM.
Predicting the trajectories of surrounding objects is a critical task for self-driving vehicles and many other autonomous systems. Recent works demonstrate that adversarial attacks on trajectory prediction, where small crafted perturbations are introduced to history trajectories, may significantly mislead the prediction of future trajectories and induce unsafe planning. However, few works have addressed enhancing the robustness of this important safety-critical task. In this paper, we present a novel adversarial training method for trajectory prediction. Compared with typical adversarial training on image tasks, our work is challenged by more random input with rich context and a lack of class labels. To address these challenges, we propose a method based on a semi-supervised adversarial autoencoder, which models disentangled semantic features with domain knowledge and provides additional latent labels for the adversarial training. Extensive experiments with different types of attacks demonstrate that our Semisupervised Semantics-guided Adversarial Training (SSAT) method can effectively mitigate the impact of adversarial attacks by up to 73% and outperform other popular defense methods. In addition, experiments show that our method can significantly improve the system's robust generalization to unseen patterns of attacks. We believe that such semantics-guided architecture and advancement on robust generalization is an important step for developing robust prediction models and enabling safe decision-making.
MMST-ViT: Climate Change-aware Crop Yield Prediction via Multi-Modal Spatial-Temporal Vision Transformer
PDF ↗Precise crop yield prediction provides valuable information for agricultural planning and decision-making processes. However, timely predicting crop yields remains challenging as crop growth is sensitive to growing season weather variation and climate change. In this work, we develop a deep learning-based solution, namely Multi-Modal Spatial-Temporal Vision Transformer (MMST-ViT), for predicting crop yields at the county level across the United States, by considering the effects of short-term meteorological variations during the growing season and the long-term climate change on crops. Specifically, our MMST-ViT consists of a Multi-Modal Transformer, a Spatial Transformer, and a Temporal Transformer. The Multi-Modal Transformer leverages both visual remote sensing data and short-term meteorological data for modeling the effect of growing season weather variations on crop growth. The Spatial Transformer learns the high-resolution spatial dependency among counties for accurate agricultural tracking. The Temporal Transformer captures the long-range temporal dependency for learning the impact of long-term climate change on crops. Meanwhile, we also devise a novel multi-modal contrastive learning technique to pre-train our model without extensive human supervision. Hence, our MMST-ViT captures the impacts of both short-term weather variations and long-term climate change on crops by leveraging both satellite images and meteorological data. We have conducted extensive experiments on over 200 counties in the United States, with the experimental results exhibiting that our MMST-ViT outperforms its counterparts under three performance metrics of interest.
DriveAdapter: Breaking the Coupling Barrier of Perception and Planning in End-to-End Autonomous Driving
PDF ↗End-to-end autonomous driving aims to build a fully differentiable system that takes raw sensor data as inputs and directly outputs the planned trajectory or control signals of the ego vehicle. State-of-the-art methods usually follow the `Teacher-Student' paradigm. The Teacher model uses privileged information (ground-truth states of surrounding agents and map elements) to learn the driving strategy. The student model only has access to raw sensor data and conducts behavior cloning on the data collected by the teacher model. By eliminating the noise of the perception part during planning learning, state-of-the-art works could achieve better performance with significantly less data compared to those coupled ones. However, under the current Teacher-Student paradigm, the student model still needs to learn a planning head from scratch, which could be challenging due to the redundant and noisy nature of raw sensor inputs and the casual confusion issue of behavior cloning. In this work, we aim to explore the possibility of directly adopting the strong teacher model to conduct planning while letting the student model focus more on the perception part. We find that even equipped with a SOTA perception model, directly letting the student model learn the required inputs of the teacher model leads to poor driving performance, which comes from the large distribution gap between predicted privileged inputs and the ground-truth. To this end, we propose DriveAdapter, which employs adapters with the feature alignment objective function between the student (perception) and teacher (planning) modules. Additionally, since the pure learning-based teacher model itself is imperfect and occasionally breaks safety rules, we propose a method of action-guided feature learning with a mask for those imperfect teacher features to further inject the priors of hand-crafted rules into the learning process. DriveAdapter achieves SOTA performance on multiple closed-loop simulation-based benchmarks of CARLA.
Many Vision-and-Language Navigation (VLN) tasks have been proposed in recent years, from room-based to object-based and indoor to outdoor. The REVERIE (Remote Embodied Referring Expression) is interesting since it only provides high-level instructions to the agent, which are closer to human commands in practice. Nevertheless, this poses more challenges than other VLN tasks since it requires agents to infer a navigation plan only based on a short instruction. Large Language Models (LLMs) show great potential in robot action planning by providing proper prompts. Still, this strategy has not been explored under the REVERIE settings. There are several new challenges. For example, the LLM should be environment-aware so that the navigation plan can be adjusted based on the current visual observation. Moreover, the LLM planned actions should be adaptable to the much larger and more complex REVERIE environment. This paper proposes a March-in-Chat (MiC) model that can talk to the LLM on the fly and plan dynamically based on a newly proposed Room-and-Object Aware Scene Perceiver (ROASP). Our MiC model outperforms the previous state-of-the-art by large margins by SPL and RGSPL metrics on the REVERIE benchmark. The source code is available at https://github.com/YanyuanQiao/MiC
Building3D: A Urban-Scale Dataset and Benchmarks for Learning Roof Structures from Point Clouds
PDF ↗Urban modeling from LiDAR point clouds is an important topic in computer vision, computer graphics, photogrammetry and remote sensing. 3D city models have found a wide range of applications in smart cities, autonomous navigation, urban planning and mapping etc. However, existing datasets for 3D modeling mainly focus on common objects such as furniture or cars. Lack of building datasets has become a major obstacle for applying deep learning technology to specific domains such as urban modeling. In this paper, we present a urban-scale dataset consisting of more than 160 thousands buildings along with corresponding point clouds, mesh and wire-frame models, covering 16 cities in Estonia about 998 Km2. We extensively evaluate performance of state-of-the-art algorithms including handcrafted and deep feature based methods. Experimental results indicate that Building3D has challenges of high intra-class variance, data imbalance and large-scale noises. The Building3D is the first and largest urban-scale building modeling benchmark, allowing a comparison of supervised and self-supervised learning methods. We believe that our Building3D will facilitate future research on urban modeling, aerial path planning, mesh simplification, and semantic/part segmentation etc.
This paper presents a novel approach to generating the 3D motion of a human interacting with a target object, with a focus on solving the challenge of synthesizing long-range and diverse motions, which could not be fulfilled by existing auto-regressive models or path planning-based methods. We propose a hierarchical generation framework to solve this challenge. Specifically, our framework first generates a set of milestones and then synthesizes the motion along them. Therefore, the long-range motion generation could be reduced to synthesizing several short motion sequences guided by milestones. The experiments on the NSM, COUCH, and SAMP datasets show that our approach outperforms previous methods by a large margin in both quality and diversity. The source code is available on our project page https://zju3dv.github.io/hghoi.
In this work, we focus on the task of procedure planning from instructional videos with text supervision, where a model aims to predict an action sequence to transform the initial visual state into the goal visual state. A critical challenge of this task is the large semantic gap between observed visual states and unobserved intermediate actions, which is ignored by previous works. Specifically, this semantic gap refers to that the contents in the observed visual states are semantically different from the elements of some action text labels in a procedure. To bridge this semantic gap, we propose a novel event-guided paradigm, which first infers events from the observed states and then plans out actions based on both the states and predicted events. Our inspiration comes from that planning a procedure from an instructional video is to complete a specific event and a specific event usually involves specific actions. Based on the proposed paradigm, we contribute an Event-guided Prompting-based Procedure Planning (E3P) model, which encodes event information into the sequential modeling process to support procedure planning. To further consider the strong action associations within each event, our E3P adopts a mask-and-predict approach for relation mining, incorporating a probabilistic masking scheme for regularization. Extensive experiments on three datasets demonstrate the effectiveness of our proposed model.
Autonomous driving requires a comprehensive understanding of the surrounding environment for reliable trajectory planning. Previous works rely on dense rasterized scene representation (e.g., agent occupancy and semantic map) to perform planning, which is computationally intensive and misses the instance-level structure information. In this paper, we propose VAD, an end-to-end vectorized paradigm for autonomous driving, which models the driving scene as a fully vectorized representation. The proposed vectorized paradigm has two significant advantages. On one hand, VAD exploits the vectorized agent motion and map elements as explicit instance-level planning constraints which effectively improves planning safety. On the other hand, VAD runs much faster than previous end-to-end planning methods by getting rid of computation-intensive rasterized representation and hand-designed post-processing steps. VAD achieves state-of-the-art end-to-end planning performance on the nuScenes dataset, outperforming the previous best method by a large margin. Our base model, VAD-Base, greatly reduces the average collision rate by 29.0% and runs 2.5x faster. Besides, a lightweight variant, VAD-Tiny, greatly improves the inference speed (up to 9.3x) while achieving comparable planning performance. We believe the excellent performance and the high efficiency of VAD are critical for the real-world deployment of an autonomous driving system. Code and models are available at https://github.com/hustvl/VAD for facilitating future research.
Change detection in remote sensing imagery is essential for a variety of applications such as urban planning, disaster management, and climate research. However, existing methods for identifying semantically changed areas overlook the availability of semantic information in the form of existing maps describing features of the earth's surface. In this paper, we leverage this information for change detection in bi-temporal images. We show that the simple integration of the additional information via concatenation of latent representations suffices to significantly outperform state-of-the-art change detection methods. Motivated by this observation, we propose the new task of Conditional Change Detection, where pre-change semantic information is used as input next to bi-temporal images. To fully exploit the extra information, we propose MapFormer, a novel architecture based on a multi-modal feature fusion module that allows for feature processing conditioned on the available semantic information. We further employ a supervised, cross-modal contrastive loss to guide the learning of visual representations. Our approach outperforms existing change detection methods by an absolute 11.7% and 18.4% in terms of binary change IoU on DynamicEarthNet and HRSCD, respectively. Furthermore, we demonstrate the robustness of our approach to the quality of the pre-change semantic information and the absence pre-change imagery. The code is available at https://github.com/mxbh/mapformer.