Vision-and-Language Navigation (VLN) tasks require an agent to follow textual instructions to navigate through 3D environments. Traditional approaches use supervised learning methods, relying heavily on domain-specific datasets to train VLN models. Recent methods try to utilize closed-source large language models (LLMs) like GPT-4 to solve VLN tasks in zero-shot manners, but face challenges related to expensive token costs and potential data breaches in real-world applications. In this work, we introduce Open-Nav, a novel study that explores open-source LLMs for zero-shot VLN in the continuous environment. Open-Nav employs a spatial-temporal chain-of-thought (CoT) reasoning approach to break down tasks into instruction comprehension, progress estimation, and decision-making. It enhances scene perceptions with fine-grained object and spatial knowledge to improve LLM's reasoning in navigation. Our extensive experiments in both simulated and real-world environments demonstrate that Open-Nav achieves competitive performance compared to using closed-source LLMs.

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 82.58%, 68.03%, and 67.48%, 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.

As the primary mRNA delivery vehicles, ionizable lipid nanoparticles (LNPs) exhibit excellent safety, high transfection efficiency, and strong immune response induction. However, the screening process for LNPs is time-consuming and costly. To expedite the identification of high-transfection-efficiency mRNA drug delivery systems, we propose an explainable LNPs transfection efficiency prediction model, called TransMA. TransMA employs a multi-modal molecular structure fusion architecture, wherein the fine-grained atomic spatial relationship extractor named molecule 3D Transformer captures three-dimensional spatial features of the molecule, and the coarse-grained atomic sequence extractor named molecule Mamba captures one-dimensional molecular features. We design the mol-attention mechanism block, enabling it to align coarse and fine-grained atomic features and captures relationships between atomic spatial and sequential structures. TransMA achieves state-of-the-art performance in predicting transfection efficiency using the scaffold and cliff data splitting methods on the current largest LNPs dataset, including Hela and RAW cell lines. Moreover, we find that TransMA captures the relationship between subtle structural changes and significant transfection efficiency variations, providing valuable insights for LNPs design. Additionally, TransMA's predictions on external transfection efficiency data maintain a consistent order with actual transfection efficiencies, demonstrating its robust generalization capability. The code, model and data are made publicly available at https://github.com/wklix/TransMA/tree/master. We hope that high-accuracy transfection prediction models in the future can aid in LNPs design and initial screening, thereby assisting in accelerating the mRNA design process.

Trajectory prediction in autonomous driving relies on accurate representation of all relevant contexts of the driving scene, including traffic participants, road topology, traffic signs, as well as their semantic relations to each other. Despite increased attention to this issue, most approaches in trajectory prediction do not consider all of these factors sufficiently. We present SemanticFormer, an approach for predicting multimodal trajectories by reasoning over a semantic traffic scene graph using a hybrid approach. It utilizes high-level information in the form of meta-paths, i.e. trajectories on which an agent is allowed to drive from a knowledge graph which is then processed by a novel pipeline based on multiple attention mechanisms to predict accurate trajectories. SemanticFormer comprises a hierarchical heterogeneous graph encoder to capture spatio-temporal and relational information across agents as well as between agents and road elements. Further, it includes a predictor to fuse different encodings and decode trajectories with probabilities. Finally, a refinement module assesses permitted meta-paths of trajectories and speed profiles to obtain final predicted trajectories. Evaluation of the nuScenes benchmark demonstrates improved performance compared to several SOTA methods. In addition, we demonstrate that our knowledge graph can be easily added to two graph-based existing SOTA methods, namely VectorNet and Laformer, replacing their original homogeneous graphs. The evaluation results suggest that by adding our knowledge graph the performance of the original methods is enhanced by 5% and 4%, respectively.

Human-robot collaboration, in which the robot intelligently assists the human with the upcoming task, is an appealing objective. To achieve this goal, the agent needs to be equipped with a fundamental collaborative navigation ability, where the agent should reason human intention by observing human activities and then navigate to the human's intended destination in advance of the human. However, this vital ability has not been well studied in previous literature. To fill this gap, we propose a collaborative navigation (CoNav) benchmark. Our CoNav tackles the critical challenge of constructing a 3D navigation environment with realistic and diverse human activities. To achieve this, we design a novel LLM-based humanoid animation generation framework, which is conditioned on both text descriptions and environmental context. The generated humanoid trajectory obeys the environmental context and can be easily integrated into popular simulators. We empirically find that the existing navigation methods struggle in CoNav task since they neglect the perception of human intention. To solve this problem, we propose an intention-aware agent for reasoning both long-term and short-term human intention. The agent predicts navigation action based on the predicted intention and panoramic observation. The emergent agent behavior including observing humans, avoiding human collision, and navigation reveals the efficiency of the proposed datasets and agents.

Graph contrastive learning (GCL), standing as the dominant paradigm in the realm of graph pre-training, has yielded considerable progress. Nonetheless, its capacity for out-of-distribution (OOD) generalization has been relatively underexplored. In this work, we point out that the traditional optimization of InfoNCE in GCL restricts the cross-domain pairs only to be negative samples, which inevitably enlarges the distribution gap between different domains. This violates the requirement of domain invariance under OOD scenario and consequently impairs the model's OOD generalization performance. To address this issue, we propose a novel strategy "Negative as Positive", where the most semantically similar crossdomain Figure 1: Left: Traditional GCLs perform badly under OOD negative pairs are treated as positive during GCL. Our scenario compared to IID one. Right: Pairwize-Domain-experimental results, spanning a wide array of datasets, confirm Discrepancy grows during GCL. that this method substantially improves the OOD generalization performance of GCL.

Accurate trajectory prediction is crucial for ensuring safe and efficient autonomous driving. However, most existing methods overlook complex interactions between traffic participants that often govern their future trajectories. In this paper, we propose SocialFormer, an agent interaction-aware trajectory prediction method that leverages the semantic relationship between the target vehicle and surrounding vehicles by making use of the road topology. We also introduce an edge-enhanced heterogeneous graph transformer (EHGT) as the aggregator in a graph neural network (GNN) to encode the semantic and spatial agent interaction information. Additionally, we introduce a temporal encoder based on gated recurrent units (GRU) to model the temporal social behavior of agent movements. Finally, we present an information fusion framework that integrates agent encoding, lane encoding, and agent interaction encoding for a holistic representation of the traffic scene. We evaluate SocialFormer for the trajectory prediction task on the popular nuScenes benchmark and achieve state-of-the-art performance.

This paper addresses the escalating challenge of redundant data transmission in networks. The surge in traffic has strained backhaul links and backbone networks, prompting the exploration of caching solutions at the edge router. Existing work primarily relies on Markov Decision Processes (MDP) for caching issues, assuming fixed-time interval decisions; however, real-world scenarios involve random request arrivals, and despite the critical role of various file characteristics in determining an optimal caching policy, none of the related existing work considers all these file characteristics in forming a caching policy. In this paper, first, we formulate the caching problem using a semi-Markov Decision Process (SMDP) to accommodate the continuous-time nature of real-world scenarios allowing for caching decisions at random times upon file requests. Then, we propose a double deep Q-learning-based caching approach that comprehensively accounts for file features such as lifetime, size, and importance. Simulation results demonstrate the superior performance of our approach compared to a recent Deep Reinforcement Learning-based method. Furthermore, we extend our work to include a Transfer Learning (TL) approach to account for changes in file request rates in the SMDP framework. The proposed TL approach exhibits fast convergence, even in scenarios with increased differences in request rates between source and target domains, presenting a promising solution to the dynamic challenges of caching in real-world environments. HE rapid growth of mobile device applications has led to a significant increase in redundant data transmission, problems, this information is not available beforehand. as many users inquire about contents from a data center. This Here, model-free Reinforcement Learning (RL) schemes come surge in traffic has placed a heavy burden on backhaul links into the picture. An agent exploiting an RL-based scheme is and backbone networks [1].

Trajectory prediction in traffic scenes involves accurately forecasting the behaviour of surrounding vehicles. To achieve this objective it is crucial to consider contextual information, including the driving path of vehicles, road topology, lane dividers, and traffic rules. Although studies demonstrated the potential of leveraging heterogeneous context for improving trajectory prediction, state-of-the-art deep learning approaches still rely on a limited subset of this information. This is mainly due to the limited availability of comprehensive representations. This paper presents an approach that utilizes knowledge graphs to model the diverse entities and their semantic connections within traffic scenes. Further, we present nuScenes Knowledge Graph (nSKG), a knowledge graph for the nuScenes dataset, that models explicitly all scene participants and road elements, as well as their semantic and spatial relationships. To facilitate the usage of the nSKG via graph neural networks for trajectory prediction, we provide the data in a format, ready-to-use by the PyG library. All artefacts can be found here: https://github.com/boschresearch/nuScenes_Knowledge_Graph

In traditional Visual Question Generation (VQG), most images have multiple concepts (e.g. objects and categories) for which a question could be generated, but models are trained to mimic an arbitrary choice of concept as given in their training data. This makes training difficult and also poses issues for evaluation -- multiple valid questions exist for most images but only one or a few are captured by the human references. We present Guiding Visual Question Generation - a variant of VQG which conditions the question generator on categorical information based on expectations on the type of question and the objects it should explore. We propose two variants: (i) an explicitly guided model that enables an actor (human or automated) to select which objects and categories to generate a question for; and (ii) an implicitly guided model that learns which objects and categories to condition on, based on discrete latent variables. The proposed models are evaluated on an answer-category augmented VQA dataset and our quantitative results show a substantial improvement over the current state of the art (over 9 BLEU-4 increase). Human evaluation validates that guidance helps the generation of questions that are grammatically coherent and relevant to the given image and objects.