While various models and computational tools have been proposed for structure and property analysis of molecules, generating molecules that conform to all desired structures and properties remains a challenge. Here, we introduce a multi-constraint molecular generation large language model, TSMMG, which, akin to a student, incorporates knowledge from various small models and tools, namely, the 'teachers'. To train TSMMG, we construct a large set of text-molecule pairs by extracting molecular knowledge from these 'teachers', enabling it to generate novel molecules that conform to the descriptions through various text prompts. We experimentally show that TSMMG remarkably performs in generating molecules meeting complex, natural language-described property requirements across two-, three-, and four-constraint tasks, with an average molecular validity of over 99% and success ratio of 88.08%, 65.27%, and 61.44%, respectively. The model also exhibits adaptability through zero-shot testing, creating molecules that satisfy combinations of properties that have not been encountered. It can comprehend text inputs with various language styles, extending beyond the confines of outlined prompts, as confirmed through empirical validation. Additionally, the knowledge distillation feature of TSMMG contributes to the continuous enhancement of small models, while the innovative approach to dataset construction effectively addresses the issues of data scarcity and quality, which positions TSMMG as a promising tool in the domains of drug discovery and materials science. Code is available at https://github.com/HHW-zhou/TSMMG.
Bagging operations, common in packaging and assisted living applications, are challenging due to a bag's complex deformable properties. To address this, we develop a robotic system for automated bagging tasks using an adaptive structure-of-interest (SOI) manipulation approach. Our method relies on real-time visual feedback to dynamically adjust manipulation without requiring prior knowledge of bag materials or dynamics. We present a robust pipeline featuring state estimation for SOIs using Gaussian Mixture Models (GMM), SOI generation via optimization-based bagging techniques, SOI motion planning with Constrained Bidirectional Rapidly-exploring Random Trees (CBiRRT), and dual-arm manipulation coordinated by Model Predictive Control (MPC). Experiments demonstrate the system's ability to achieve precise, stable bagging of various objects using adaptive coordination of the manipulators. The proposed framework advances the capability of dual-arm robots to perform more sophisticated automation of common tasks involving interactions with deformable objects.
Interactive perception enables robots to manipulate the environment and objects to bring them into states that benefit the perception process. Deformable objects pose challenges to this due to significant manipulation difficulty and occlusion in vision-based perception. In this work, we address such a problem with a setup involving both an active camera and an object manipulator. Our approach is based on a sequential decision-making framework and explicitly considers the motion regularity and structure in coupling the camera and manipulator. We contribute a method for constructing and computing a subspace, called Dynamic Active Vision Space (DAVS), for effectively utilizing the regularity in motion exploration. The effectiveness of the framework and approach are validated in both a simulation and a real dual-arm robot setup. Our results confirm the necessity of an active camera and coordinative motion in interactive perception for deformable objects.
Videos captured from multiple viewpoints can help in perceiving the 3D structure of the world and benefit computer vision tasks such as action recognition, tracking, etc. In this paper, we present a method for self-supervised learning from synchronized multi-view videos. We use a cross-view reconstruction task to inject geometry information in the model. Our approach is based on the masked autoencoder (MAE) framework. In addition to the same-view decoder, we introduce a separate cross-view decoder which leverages cross-attention mechanism to reconstruct a target viewpoint video using a video from source viewpoint, to help representations robust to viewpoint changes. For videos, static regions can be reconstructed trivially which hinders learning meaningful representations. To tackle this, we introduce a motion-weighted reconstruction loss which improves temporal modeling. We report state-of-the-art results on the NTU-60, NTU-120 and ETRI datasets, as well as in the transfer learning setting on NUCLA, PKU-MMD-II and ROCOG-v2 datasets, demonstrating the robustness of our approach. Code will be made available.
The manipulation of deformable objects by robotic systems presents a significant challenge due to their complex and infinite-dimensional configuration spaces. This paper introduces a novel approach to Deformable Object Manipulation (DOM) by emphasizing the identification and manipulation of Structures of Interest (SOIs) in deformable fabric bags. We propose a bimanual manipulation framework that leverages a Graph Neural Network (GNN)-based latent dynamics model to succinctly represent and predict the behavior of these SOIs. Our approach involves constructing a graph representation from partial point cloud data of the object and learning the latent dynamics model that effectively captures the essential deformations of the fabric bag within a reduced computational space. By integrating this latent dynamics model with Model Predictive Control (MPC), we empower robotic manipulators to perform precise and stable manipulation tasks focused on the SOIs. We have validated our framework through various empirical experiments demonstrating its efficacy in bimanual manipulation of fabric bags. Our contributions not only address the complexities inherent in DOM but also provide new perspectives and methodologies for enhancing robotic interactions with deformable objects by concentrating on their critical structural elements. Experimental videos can be obtained from https://sites.google.com/view/bagbot.
The challenges inherent to long-horizon tasks in robotics persist due to the typical inefficient exploration and sparse rewards in traditional reinforcement learning approaches. To alleviate these challenges, we introduce a novel algorithm, Variational Autoencoder-based Subgoal Inference (VAESI), to accomplish long-horizon tasks through a divide-and-conquer manner. VAESI consists of three components: a Variational Autoencoder (VAE)-based Subgoal Generator, a Hindsight Sampler, and a Value Selector. The VAE-based Subgoal Generator draws inspiration from the human capacity to infer subgoals and reason about the final goal in the context of these subgoals. It is composed of an explicit encoder model, engineered to generate subgoals, and an implicit decoder model, designed to enhance the quality of the generated subgoals by predicting the final goal. Additionally, the Hindsight Sampler selects valid subgoals from an offline dataset to enhance the feasibility of the generated subgoals. The Value Selector utilizes the value function in reinforcement learning to filter the optimal subgoals from subgoal candidates. To validate our method, we conduct several long-horizon tasks in both simulation and the real world, including one locomotion task and three manipulation tasks. The obtained quantitative and qualitative data indicate that our approach achieves promising performance compared to other baseline methods. These experimental results can be seen in the website \url{https://sites.google.com/view/vaesi/home}.
Spiking neural networks and neuromorphic hardware platforms that emulate neural dynamics are slowly gaining momentum and entering main-stream usage. Despite a well-established mathematical foundation for neural dynamics, the implementation details vary greatly across different platforms. Correspondingly, there are a plethora of software and hardware implementations with their own unique technology stacks. Consequently, neuromorphic systems typically diverge from the expected computational model, which challenges the reproducibility and reliability across platforms. Additionally, most neuromorphic hardware is limited by its access via a single software frameworks with a limited set of training procedures. Here, we establish a common reference-frame for computations in neuromorphic systems, dubbed the Neuromorphic Intermediate Representation (NIR). NIR defines a set of computational primitives as idealized continuous-time hybrid systems that can be composed into graphs and mapped to and from various neuromorphic technology stacks. By abstracting away assumptions around discretization and hardware constraints, NIR faithfully captures the fundamental computation, while simultaneously exposing the exact differences between the evaluated implementation and the idealized mathematical formalism. We reproduce three NIR graphs across 7 neuromorphic simulators and 4 hardware platforms, demonstrating support for an unprecedented number of neuromorphic systems. With NIR, we decouple the evolution of neuromorphic hardware and software, ultimately increasing the interoperability between platforms and improving accessibility to neuromorphic technologies. We believe that NIR is an important step towards the continued study of brain-inspired hardware and bottom-up approaches aimed at an improved understanding of the computational underpinnings of nervous systems.
In the field of robotic manipulation, the proficiency of deformable object manipulation lags behind human capabilities due to the inherent characteristics of deformable objects. These objects have infinite degrees of freedom, resulting in non-trivial perception and state estimation, and complex dynamics, complicating the prediction of future configurations. Although recent research has focused on deformable object manipulation, most approaches rely on static vision and simple manipulation techniques, limiting the performance level. This paper proposes two solutions to enhance the performance: interactive perception and the use of assistive tools. The first solution posits that optimal perspectives exist during deformable object manipulation, facilitating easier state estimation. By exploring the action-perception regularity, interactive perception facilitates better manipulation and perception. The second solution advocates for the use of assistive tools, a hallmark of human intelligence, to improve manipulation performance. For instance, a folding board can aid in garment folding tasks by reducing object deformation and managing complex dynamics. Hence, this research aims to address the deformable object manipulation problem by incorporating interactive perception and assistive tools to augment manipulation performance.
Survivor bias in observational data leads the optimization of recommender systems towards local optima. Currently most solutions re-mines existing human-system collaboration patterns to maximize longer-term satisfaction by reinforcement learning. However, from the causal perspective, mitigating survivor effects requires answering a counterfactual problem, which is generally unidentifiable and inestimable. In this work, we propose a neural causal model to achieve counterfactual inference. Specifically, we first build a learnable structural causal model based on its available graphical representations which qualitatively characterizes the preference transitions. Mitigation of the survivor bias is achieved though counterfactual consistency. To identify the consistency, we use the Gumbel-max function as structural constrains. To estimate the consistency, we apply reinforcement optimizations, and use Gumbel-Softmax as a trade-off to get a differentiable function. Both theoretical and empirical studies demonstrate the effectiveness of our solution.
This paper presents a novel layered framework that integrates visual foundation models to improve robot manipulation tasks and motion planning. The framework consists of five layers: Perception, Cognition, Planning, Execution, and Learning. Using visual foundation models, we enhance the robot's perception of its environment, enabling more efficient task understanding and accurate motion planning. This approach allows for real-time adjustments and continual learning, leading to significant improvements in task execution. Experimental results demonstrate the effectiveness of the proposed framework in various robot manipulation tasks and motion planning scenarios, highlighting its potential for practical deployment in dynamic environments.