Trajectory prediction is crucial for autonomous driving, enabling vehicles to navigate safely by anticipating the movements of surrounding road users. However, current deep learning models often lack trustworthiness as their predictions can be physically infeasible and illogical to humans. To make predictions more trustworthy, recent research has incorporated prior knowledge, like the social force model for modeling interactions and kinematic models for physical realism. However, these approaches focus on priors that suit either vehicles or pedestrians and do not generalize to traffic with mixed agent classes. We propose incorporating interaction and kinematic priors of all agent classes--vehicles, pedestrians, and cyclists with class-specific interaction layers to capture agent behavioral differences. To improve the interpretability of the agent interactions, we introduce DG-SFM, a rule-based interaction importance score that guides the interaction layer. To ensure physically feasible predictions, we proposed suitable kinematic models for all agent classes with a novel pedestrian kinematic model. We benchmark our approach on the Argoverse 2 dataset, using the state-of-the-art transformer HPTR as our baseline. Experiments demonstrate that our method improves interaction interpretability, revealing a correlation between incorrect predictions and divergence from our interaction prior. Even though incorporating the kinematic models causes a slight decrease in accuracy, they eliminate infeasible trajectories found in the dataset and the baseline model. Thus, our approach fosters trust in trajectory prediction as its interaction reasoning is interpretable, and its predictions adhere to physics.
Retrosynthesis, the process of breaking down a target molecule into simpler precursors through a series of valid reactions, stands at the core of organic chemistry and drug development. Although recent machine learning (ML) research has advanced single-step retrosynthetic modeling and subsequent route searches, these solutions remain restricted by the extensive combinatorial space of possible pathways. Concurrently, large language models (LLMs) have exhibited remarkable chemical knowledge, hinting at their potential to tackle complex decision-making tasks in chemistry. In this work, we explore whether LLMs can successfully navigate the highly constrained, multi-step retrosynthesis planning problem. We introduce an efficient scheme for encoding reaction pathways and present a new route-level search strategy, moving beyond the conventional step-by-step reactant prediction. Through comprehensive evaluations, we show that our LLM-augmented approach excels at retrosynthesis planning and extends naturally to the broader challenge of synthesizable molecular design.
The rapid evolution of artificial intelligence (AI) has shifted from static, data-driven models to dynamic systems capable of perceiving and interacting with real-world environments. Despite advancements in pattern recognition and symbolic reasoning, current AI systems, such as large language models, remain disembodied, unable to physically engage with the world. This limitation has driven the rise of embodied AI, where autonomous agents, such as humanoid robots, must navigate and manipulate unstructured environments with human-like adaptability. At the core of this challenge lies the concept of Neural Brain, a central intelligence system designed to drive embodied agents with human-like adaptability. A Neural Brain must seamlessly integrate multimodal sensing and perception with cognitive capabilities. Achieving this also requires an adaptive memory system and energy-efficient hardware-software co-design, enabling real-time action in dynamic environments. This paper introduces a unified framework for the Neural Brain of embodied agents, addressing two fundamental challenges: (1) defining the core components of Neural Brain and (2) bridging the gap between static AI models and the dynamic adaptability required for real-world deployment. To this end, we propose a biologically inspired architecture that integrates multimodal active sensing, perception-cognition-action function, neuroplasticity-based memory storage and updating, and neuromorphic hardware/software optimization. Furthermore, we also review the latest research on embodied agents across these four aspects and analyze the gap between current AI systems and human intelligence. By synthesizing insights from neuroscience, we outline a roadmap towards the development of generalizable, autonomous agents capable of human-level intelligence in real-world scenarios.
Developing broadly generalizable visual navigation policies for robots is a significant challenge, primarily constrained by the availability of large-scale, diverse training data. While curated datasets collected by researchers offer high quality, their limited size restricts policy generalization. To overcome this, we explore leveraging abundant, passively collected data sources, including large volumes of crowd-sourced teleoperation data and unlabeled YouTube videos, despite their potential for lower quality or missing action labels. We propose Model-Based ReAnnotation (MBRA), a framework that utilizes a learned short-horizon, model-based expert model to relabel or generate high-quality actions for these passive datasets. This relabeled data is then distilled into LogoNav, a long-horizon navigation policy conditioned on visual goals or GPS waypoints. We demonstrate that LogoNav, trained using MBRA-processed data, achieves state-of-the-art performance, enabling robust navigation over distances exceeding 300 meters in previously unseen indoor and outdoor environments. Our extensive real-world evaluations, conducted across a fleet of robots (including quadrupeds) in six cities on three continents, validate the policy's ability to generalize and navigate effectively even amidst pedestrians in crowded settings.
The strong planning and reasoning capabilities of Large Language Models (LLMs) have fostered the development of agent-based systems capable of leveraging external tools and interacting with increasingly complex environments. However, these powerful features also introduce a critical security risk: indirect prompt injection, a sophisticated attack vector that compromises the core of these agents, the LLM, by manipulating contextual information rather than direct user prompts. In this work, we propose a generic black-box fuzzing framework, AgentVigil, designed to automatically discover and exploit indirect prompt injection vulnerabilities across diverse LLM agents. Our approach starts by constructing a high-quality initial seed corpus, then employs a seed selection algorithm based on Monte Carlo Tree Search (MCTS) to iteratively refine inputs, thereby maximizing the likelihood of uncovering agent weaknesses. We evaluate AgentVigil on two public benchmarks, AgentDojo and VWA-adv, where it achieves 71% and 70% success rates against agents based on o3-mini and GPT-4o, respectively, nearly doubling the performance of baseline attacks. Moreover, AgentVigil exhibits strong transferability across unseen tasks and internal LLMs, as well as promising results against defenses. Beyond benchmark evaluations, we apply our attacks in real-world environments, successfully misleading agents to navigate to arbitrary URLs, including malicious sites.
Aerial vision-and-language navigation (VLN), requiring drones to interpret natural language instructions and navigate complex urban environments, emerges as a critical embodied AI challenge that bridges human-robot interaction, 3D spatial reasoning, and real-world deployment. Although existing ground VLN agents achieved notable results in indoor and outdoor settings, they struggle in aerial VLN due to the absence of predefined navigation graphs and the exponentially expanding action space in long-horizon exploration. In this work, we propose \textbf{CityNavAgent}, a large language model (LLM)-empowered agent that significantly reduces the navigation complexity for urban aerial VLN. Specifically, we design a hierarchical semantic planning module (HSPM) that decomposes the long-horizon task into sub-goals with different semantic levels. The agent reaches the target progressively by achieving sub-goals with different capacities of the LLM. Additionally, a global memory module storing historical trajectories into a topological graph is developed to simplify navigation for visited targets. Extensive benchmark experiments show that our method achieves state-of-the-art performance with significant improvement. Further experiments demonstrate the effectiveness of different modules of CityNavAgent for aerial VLN in continuous city environments. The code is available at \href{https://github.com/VinceOuti/CityNavAgent}{link}.
In the complex landscape of traditional futures trading, where vast data and variables like real-time Limit Order Books (LOB) complicate price predictions, we introduce the FutureQuant Transformer model, leveraging attention mechanisms to navigate these challenges. Unlike conventional models focused on point predictions, the FutureQuant model excels in forecasting the range and volatility of future prices, thus offering richer insights for trading strategies. Its ability to parse and learn from intricate market patterns allows for enhanced decision-making, significantly improving risk management and achieving a notable average gain of 0.1193% per 30-minute trade over state-of-the-art models with a simple algorithm using factors such as RSI, ATR, and Bollinger Bands. This innovation marks a substantial leap forward in predictive analytics within the volatile domain of futures trading.
Building codes are regulations that establish standards for the design, construction, and safety of buildings to ensure structural integrity, fire protection, and accessibility. They are often extensive, complex, and subject to frequent updates, making manual querying challenging and time-consuming. Key difficulties include navigating large volumes of text, interpreting technical language, and identifying relevant clauses across different sections. A potential solution is to build a Question-Answering (QA) system that answers user queries based on building codes. Among the various methods for building a QA system, Retrieval-Augmented Generation (RAG) stands out in performance. RAG consists of two components: a retriever and a language model. This study focuses on identifying a suitable retriever method for building codes and optimizing the generational capability of the language model using fine-tuning techniques. We conducted a detailed evaluation of various retrieval methods by performing the retrieval on the National Building Code of Canada (NBCC) and explored the impact of domain-specific fine-tuning on several language models using the dataset derived from NBCC. Our analysis included a comparative assessment of different retrievers and the performance of both pre-trained and fine-tuned models to determine the efficacy and domain-specific adaptation of language models using fine-tuning on the NBCC dataset. Experimental results showed that Elasticsearch proved to be the most robust retriever among all. The findings also indicate that fine-tuning language models on an NBCC-specific dataset can enhance their ability to generate contextually relevant responses. When combined with context retrieved by a powerful retriever like Elasticsearch, this improvement in LLM performance can optimize the RAG system, enabling it to better navigate the complexities of the NBCC.
Embodied artificial intelligence (Embodied AI) plays a pivotal role in the application of advanced technologies in the intelligent era, where AI systems are integrated with physical bodies that enable them to perceive, reason, and interact with their environments. Through the use of sensors for input and actuators for action, these systems can learn and adapt based on real-world feedback, allowing them to perform tasks effectively in dynamic and unpredictable environments. As techniques such as deep learning (DL), reinforcement learning (RL), and large language models (LLMs) mature, embodied AI has become a leading field in both academia and industry, with applications spanning robotics, healthcare, transportation, and manufacturing. However, most research has focused on single-agent systems that often assume static, closed environments, whereas real-world embodied AI must navigate far more complex scenarios. In such settings, agents must not only interact with their surroundings but also collaborate with other agents, necessitating sophisticated mechanisms for adaptation, real-time learning, and collaborative problem-solving. Despite increasing interest in multi-agent systems, existing research remains narrow in scope, often relying on simplified models that fail to capture the full complexity of dynamic, open environments for multi-agent embodied AI. Moreover, no comprehensive survey has systematically reviewed the advancements in this area. As embodied AI rapidly evolves, it is crucial to deepen our understanding of multi-agent embodied AI to address the challenges presented by real-world applications. To fill this gap and foster further development in the field, this paper reviews the current state of research, analyzes key contributions, and identifies challenges and future directions, providing insights to guide innovation and progress in this field.
This position paper argues that optimization problem solving can transition from expert-dependent to evolutionary agentic workflows. Traditional optimization practices rely on human specialists for problem formulation, algorithm selection, and hyperparameter tuning, creating bottlenecks that impede industrial adoption of cutting-edge methods. We contend that an evolutionary agentic workflow, powered by foundation models and evolutionary search, can autonomously navigate the optimization space, comprising problem, formulation, algorithm, and hyperparameter spaces. Through case studies in cloud resource scheduling and ADMM parameter adaptation, we demonstrate how this approach can bridge the gap between academic innovation and industrial implementation. Our position challenges the status quo of human-centric optimization workflows and advocates for a more scalable, adaptive approach to solving real-world optimization problems.
Autonomous driving has garnered significant attention for its potential to improve safety, traffic efficiency, and user convenience. However, the dynamic and complex nature of interactive driving poses significant challenges, including the need to navigate non-linear road geometries, handle dynamic obstacles, and meet stringent safety and comfort requirements. Traditional approaches, such as artificial potential fields (APF), often fall short in addressing these complexities independently, necessitating the development of integrated and adaptive frameworks. This paper presents a novel approach to autonomous vehicle navigation that integrates artificial potential fields, Frenet coordinates, and improved particle swarm optimization (IPSO). A dynamic risk field, adapted from traditional APF, is proposed to ensure interactive safety by quantifying risks and dynamically adjusting lane-changing intentions based on surrounding vehicle behavior. Frenet coordinates are utilized to simplify trajectory planning on non-straight roads, while an enhanced quintic polynomial trajectory generator ensures smooth and comfortable path transitions. Additionally, an IPSO algorithm optimizes trajectory selection in real time, balancing safety and user comfort within a feasible input range. The proposed framework is validated through extensive simulations and real-world scenarios, demonstrating its ability to navigate complex traffic environments, maintain safety margins, and generate smooth, dynamically feasible trajectories.
The increasingly challenging task of maintaining power grid security requires innovative solutions. Novel approaches using reinforcement learning (RL) agents have been proposed to help grid operators navigate the massive decision space and nonlinear behavior of these complex networks. However, applying RL to power grid security assessment, specifically for combinatorially troublesome contingency analysis problems, has proven difficult to scale. The integration of quantum computing into these RL frameworks helps scale by improving computational efficiency and boosting agent proficiency by leveraging quantum advantages in action exploration and model-based interdependence. To demonstrate a proof-of-concept use of quantum computing for RL agent training and simulation, we propose a hybrid agent that runs on quantum hardware using IBM's Qiskit Runtime. We also provide detailed insight into the construction of parameterized quantum circuits (PQCs) for generating relevant quantum output. This agent's proficiency at maintaining grid stability is demonstrated relative to a benchmark model without quantum enhancement using N-k contingency analysis. Additionally, we offer a comparative assessment of the training procedures for RL models integrated with a quantum backend.
The objective of canonical multi-armed bandits is to identify and repeatedly select an arm with the largest reward, often in the form of the expected value of the arm's probability distribution. Such a utilitarian perspective and focus on the probability models' first moments, however, is agnostic to the distributions' tail behavior and their implications for variability and risks in decision-making. This paper introduces a principled framework for shifting from expectation-based evaluation to an alternative reward formulation, termed a preference metric (PM). The PMs can place the desired emphasis on different reward realization and can encode a richer modeling of preferences that incorporate risk aversion, robustness, or other desired attitudes toward uncertainty. A fundamentally distinct observation in such a PM-centric perspective is that designing bandit algorithms will have a significantly different principle: as opposed to the reward-based models in which the optimal sampling policy converges to repeatedly sampling from the single best arm, in the PM-centric framework the optimal policy converges to selecting a mix of arms based on specific mixing weights. Designing such mixture policies departs from the principles for designing bandit algorithms in significant ways, primarily because of uncountable mixture possibilities. The paper formalizes the PM-centric framework and presents two algorithm classes (horizon-dependent and anytime) that learn and track mixtures in a regret-efficient fashion. These algorithms have two distinctions from their canonical counterparts: (i) they involve an estimation routine to form reliable estimates of optimal mixtures, and (ii) they are equipped with tracking mechanisms to navigate arm selection fractions to track the optimal mixtures. These algorithms' regret guarantees are investigated under various algebraic forms of the PMs.
As the US tax law evolves to adapt to ever-changing politico-economic realities, tax preparation software plays a significant role in helping taxpayers navigate these complexities. The dynamic nature of tax regulations poses a significant challenge to accurately and timely maintaining tax software artifacts. The state-of-the-art in maintaining tax prep software is time-consuming and error-prone as it involves manual code analysis combined with an expert interpretation of tax law amendments. We posit that the rigor and formality of tax amendment language, as expressed in IRS publications, makes it amenable to automatic translation to executable specifications (code). Our research efforts focus on identifying, understanding, and tackling technical challenges in leveraging Large Language Models (LLMs), such as ChatGPT and Llama, to faithfully extract code differentials from IRS publications and automatically integrate them with the prior version of the code to automate tax prep software maintenance.
Scripting interfaces enable users to automate tasks and customize software workflows, but creating scripts traditionally requires programming expertise and familiarity with specific APIs, posing barriers for many users. While Large Language Models (LLMs) can generate code from natural language queries, runtime code generation is severely limited due to unverified code, security risks, longer response times, and higher computational costs. To bridge the gap, we propose an offline simulation framework to curate a software-specific skillset, a collection of verified scripts, by exploiting LLMs and publicly available scripting guides. Our framework comprises two components: (1) task creation, using top-down functionality guidance and bottom-up API synergy exploration to generate helpful tasks; and (2) skill generation with trials, refining and validating scripts based on execution feedback. To efficiently navigate the extensive API landscape, we introduce a Graph Neural Network (GNN)-based link prediction model to capture API synergy, enabling the generation of skills involving underutilized APIs and expanding the skillset's diversity. Experiments with Adobe Illustrator demonstrate that our framework significantly improves automation success rates, reduces response time, and saves runtime token costs compared to traditional runtime code generation. This is the first attempt to use software scripting interfaces as a testbed for LLM-based systems, highlighting the advantages of leveraging execution feedback in a controlled environment and offering valuable insights into aligning AI capabilities with user needs in specialized software domains.
Since the emergence of autonomous driving technology, it has advanced rapidly over the past decade. It is becoming increasingly likely that autonomous vehicles (AVs) would soon coexist with human-driven vehicles (HVs) on the roads. Currently, safety and reliable decision-making remain significant challenges, particularly when AVs are navigating lane changes and interacting with surrounding HVs. Therefore, precise estimation of the intentions of surrounding HVs can assist AVs in making more reliable and safe lane change decision-making. This involves not only understanding their current behaviors but also predicting their future motions without any direct communication. However, distinguishing between the passing and yielding intentions of surrounding HVs still remains ambiguous. To address the challenge, we propose a social intention estimation algorithm rooted in Directed Acyclic Graph (DAG), coupled with a decision-making framework employing Deep Reinforcement Learning (DRL) algorithms. To evaluate the method's performance, the proposed framework can be tested and applied in a lane-changing scenario within a simulated environment. Furthermore, the experiment results demonstrate how our approach enhances the ability of AVs to navigate lane changes safely and efficiently on roads.
This paper introduces a novel trajectory planner for autonomous robots, specifically designed to enhance navigation by incorporating dynamic obstacle avoidance within the Robot Operating System 2 (ROS2) and Navigation 2 (Nav2) framework. The proposed method utilizes Model Predictive Control (MPC) with a focus on handling the uncertainties associated with the movement prediction of dynamic obstacles. Unlike existing Nav2 trajectory planners which primarily deal with static obstacles or react to the current position of dynamic obstacles, this planner predicts future obstacle positions using a stochastic Vector Auto-Regressive Model (VAR). The obstacles' future positions are represented by probability distributions, and collision avoidance is achieved through constraints based on the Mahalanobis distance, ensuring the robot avoids regions where obstacles are likely to be. This approach considers the robot's kinodynamic constraints, enabling it to track a reference path while adapting to real-time changes in the environment. The paper details the implementation, including obstacle prediction, tracking, and the construction of feasible sets for MPC. Simulation results in a Gazebo environment demonstrate the effectiveness of this method in scenarios where robots must navigate around each other, showing improved collision avoidance capabilities.
Vision-and-Language Navigation (VLN) is a challenging task where an agent must understand language instructions and navigate unfamiliar environments using visual cues. The agent must accurately locate the target based on visual information from the environment and complete tasks through interaction with the surroundings. Despite significant advancements in this field, two major limitations persist: (1) Many existing methods input complete language instructions directly into multi-layer Transformer networks without fully exploiting the detailed information within the instructions, thereby limiting the agent's language understanding capabilities during task execution; (2) Current approaches often overlook the modeling of object relationships across different modalities, failing to effectively utilize latent clues between objects, which affects the accuracy and robustness of navigation decisions. We propose a Dual Object Perception-Enhancement Network (DOPE) to address these issues to improve navigation performance. First, we design a Text Semantic Extraction (TSE) to extract relatively essential phrases from the text and input them into the Text Object Perception-Augmentation (TOPA) to fully leverage details such as objects and actions within the instructions. Second, we introduce an Image Object Perception-Augmentation (IOPA), which performs additional modeling of object information across different modalities, enabling the model to more effectively utilize latent clues between objects in images and text, enhancing decision-making accuracy. Extensive experiments on the R2R and REVERIE datasets validate the efficacy of the proposed approach.
This paper proposes an integrated approach for the safe and efficient control of mobile robots in dynamic and uncertain environments. The approach consists of two key steps: one-shot multimodal motion prediction to anticipate motions of dynamic obstacles and model predictive control to incorporate these predictions into the motion planning process. Motion prediction is driven by an energy-based neural network that generates high-resolution, multi-step predictions in a single operation. The prediction outcomes are further utilized to create geometric shapes formulated as mathematical constraints. Instead of treating each dynamic obstacle individually, predicted obstacles are grouped by proximity in an unsupervised way to improve performance and efficiency. The overall collision-free navigation is handled by model predictive control with a specific design for proactive dynamic obstacle avoidance. The proposed approach allows mobile robots to navigate effectively in dynamic environments. Its performance is accessed across various scenarios that represent typical warehouse settings. The results demonstrate that the proposed approach outperforms other existing dynamic obstacle avoidance methods.
Large reasoning models (LRMs), such as OpenAI-o1 and DeepSeek-R1, demonstrate impressive long-horizon reasoning capabilities. However, their reliance on static internal knowledge limits their performance on complex, knowledge-intensive tasks and hinders their ability to produce comprehensive research reports requiring synthesis of diverse web information. To address this, we propose \textbf{WebThinker}, a deep research agent that empowers LRMs to autonomously search the web, navigate web pages, and draft research reports during the reasoning process. WebThinker integrates a \textbf{Deep Web Explorer} module, enabling LRMs to dynamically search, navigate, and extract information from the web when encountering knowledge gaps. It also employs an \textbf{Autonomous Think-Search-and-Draft strategy}, allowing the model to seamlessly interleave reasoning, information gathering, and report writing in real time. To further enhance research tool utilization, we introduce an \textbf{RL-based training strategy} via iterative online Direct Preference Optimization (DPO). Extensive experiments on complex reasoning benchmarks (GPQA, GAIA, WebWalkerQA, HLE) and scientific report generation tasks (Glaive) demonstrate that WebThinker significantly outperforms existing methods and strong proprietary systems. Our approach enhances LRM reliability and applicability in complex scenarios, paving the way for more capable and versatile deep research systems. The code is available at https://github.com/RUC-NLPIR/WebThinker.