Retrosynthesis planning enables the discovery of viable synthetic routes for target molecules, playing a crucial role in domains like drug discovery and materials design. Multi-step retrosynthetic planning remains computationally challenging due to exponential search spaces and inference costs. While Large Language Models (LLMs) demonstrate chemical reasoning capabilities, their application to synthesis planning faces constraints on efficiency and cost. To address these challenges, we introduce AOT*, a framework that transforms retrosynthetic planning by integrating LLM-generated chemical synthesis pathways with systematic AND-OR tree search. To this end, AOT* atomically maps the generated complete synthesis routes onto AND-OR tree components, with a mathematically sound design of reward assignment strategy and retrieval-based context engineering, thus enabling LLMs to efficiently navigate in the chemical space. Experimental evaluation on multiple synthesis benchmarks demonstrates that AOT* achieves SOTA performance with significantly improved search efficiency. AOT* exhibits competitive solve rates using 3-5$\times$ fewer iterations than existing LLM-based approaches, with the efficiency advantage becoming more pronounced on complex molecular targets.
The goal of personalized medicine is to discover a treatment regimen that optimizes a patient's clinical outcome based on their personal genetic and environmental factors. However, candidate treatments cannot be arbitrarily administered to the patient to assess their efficacy; we often instead have access to an in silico surrogate model that approximates the true fitness of a proposed treatment. Unfortunately, such surrogate models have been shown to fail to generalize to previously unseen patient-treatment combinations. We hypothesize that domain-specific prior knowledge - such as medical textbooks and biomedical knowledge graphs - can provide a meaningful alternative signal of the fitness of proposed treatments. To this end, we introduce LLM-based Entropy-guided Optimization with kNowledgeable priors (LEON), a mathematically principled approach to leverage large language models (LLMs) as black-box optimizers without any task-specific fine-tuning, taking advantage of their ability to contextualize unstructured domain knowledge to propose personalized treatment plans in natural language. In practice, we implement LEON via 'optimization by prompting,' which uses LLMs as stochastic engines for proposing treatment designs. Experiments on real-world optimization tasks show LEON outperforms both traditional and LLM-based methods in proposing individualized treatments for patients.
Conventional SLAM pipelines for legged robot navigation are fragile under rapid motion, calibration demands, and sensor drift, while offering limited semantic reasoning for task-driven exploration. To deal with these issues, we propose a vision-only, SLAM-free navigation framework that replaces dense geometry with semantic reasoning and lightweight topological representations. A hierarchical vision-language perception module fuses scene-level context with object-level cues for robust semantic inference. And a semantic-probabilistic topological map supports coarse-to-fine planning: LLM-based global reasoning for subgoal selection and vision-based local planning for obstacle avoidance. Integrated with reinforcement-learning locomotion controllers, the framework is deployable across diverse legged robot platforms. Experiments in simulation and real-world settings demonstrate consistent improvements in semantic accuracy, planning quality, and navigation success, while ablation studies further showcase the necessity of both hierarchical perception and fine local planning. This work introduces a new paradigm for SLAM-free, vision-language-driven navigation, shifting robotic exploration from geometry-centric mapping to semantics-driven decision making.
Integrating natural language (NL) prompts into robotic mission planning has attracted significant interest in recent years. In the construction domain, Building Information Models (BIM) encapsulate rich NL descriptions of the environment. We present a novel framework that fuses NL directives with BIM-derived semantic maps via a Beta-Bernoulli Bayesian fusion by interpreting the LLM as a sensor: each obstacle's design-time repulsive coefficient is treated as a Beta(alpha, beta) random variable and LLM-returned danger scores are incorporated as pseudo-counts to update alpha and beta. The resulting posterior mean yields a continuous, context-aware repulsive gain that augments a Euclidean-distance-based potential field for cost heuristics. By adjusting gains based on sentiment and context inferred from user prompts, our method guides robots along safer, more context-aware paths. This provides a numerically stable method that can chain multiple natural commands and prompts from construction workers and foreman to enable planning while giving flexibility to be integrated in any learned or classical AI framework. Simulation results demonstrate that this Beta-Bernoulli fusion yields both qualitative and quantitative improvements in path robustness and validity.
Purpose: To develop a retrieval-augmented generation (RAG) system powered by LLaMA-4 109B for automated, protocol-aware, and interpretable evaluation of radiotherapy treatment plans. Methods and Materials: We curated a multi-protocol dataset of 614 radiotherapy plans across four disease sites and constructed a knowledge base containing normalized dose metrics and protocol-defined constraints. The RAG system integrates three core modules: a retrieval engine optimized across five SentenceTransformer backbones, a percentile prediction component based on cohort similarity, and a clinical constraint checker. These tools are directed by a large language model (LLM) using a multi-step prompt-driven reasoning pipeline to produce concise, grounded evaluations. Results: Retrieval hyperparameters were optimized using Gaussian Process on a scalarized loss function combining root mean squared error (RMSE), mean absolute error (MAE), and clinically motivated accuracy thresholds. The best configuration, based on all-MiniLM-L6-v2, achieved perfect nearest-neighbor accuracy within a 5-percentile-point margin and a sub-2pt MAE. When tested end-to-end, the RAG system achieved 100% agreement with the computed values by standalone retrieval and constraint-checking modules on both percentile estimates and constraint identification, confirming reliable execution of all retrieval, prediction and checking steps. Conclusion: Our findings highlight the feasibility of combining structured population-based scoring with modular tool-augmented reasoning for transparent, scalable plan evaluation in radiation therapy. The system offers traceable outputs, minimizes hallucination, and demonstrates robustness across protocols. Future directions include clinician-led validation, and improved domain-adapted retrieval models to enhance real-world integration.
Large Language Models (LLMs) have demonstrated remarkable capabilities in knowledge acquisition, reasoning, and tool use, making them promising candidates for autonomous agent applications. However, training LLM agents for complex multi-turn task planning faces significant challenges, including sparse episode-wise rewards, credit assignment across long horizons, and the computational overhead of reinforcement learning in multi-turn interaction settings. To this end, this paper introduces a novel approach that transforms multi-turn task planning into single-turn task reasoning problems, enabling efficient policy optimization through Group Relative Policy Optimization (GRPO) with dense and verifiable reward from expert trajectories. Our theoretical analysis shows that GRPO improvement on single-turn task reasoning results in higher multi-turn success probability under the minimal turns, as well as the generalization to subtasks with shorter horizons. Experimental evaluation on the complex task planning benchmark demonstrates that our 1.5B parameter model trained with single-turn GRPO achieves superior performance compared to larger baseline models up to 14B parameters, with success rates of 70% for long-horizon planning tasks with over 30 steps. We also theoretically and empirically validate the strong cross-task generalizability that the models trained on complex tasks can lead to the successful completion of all simpler subtasks.
Despite the rapid advancements in LLM agents, they still face the challenge of generating meaningful reflections due to inadequate error analysis and a reliance on rare successful trajectories, especially in complex tasks. In this work, we propose SAMULE, a new framework for self-learning agents powered by a retrospective language model that is trained based on Multi-Level Reflection Synthesis. It first synthesizes high-quality reflections across three complementary levels: Single-Trajectory Learning (micro-level) for detailed error correction; Intra-Task Learning (meso-level) to build error taxonomies across multiple trials of the same task, and Inter-Task Learning (macro-level) to extract transferable insights based on same typed errors from diverse task failures. Then we fine-tune a language model serving as the retrospective model to generate reflections during inference. We further extend our framework to interactive settings through a foresight-based reflection mechanism, enabling agents to proactively reflect and adapt during user interactions by comparing predicted and actual responses. Extensive experiments on three challenging benchmarks - TravelPlanner, NATURAL PLAN, and Tau-bench - demonstrate that our approach significantly outperforms reflection-based baselines. Our results highlight the critical role of well-designed reflection synthesis and failure-centric learning in building self-improving LLM agents.
As AI inference scales to billions of queries and emerging reasoning and agentic workflows increase token demand, reliable estimates of per-query energy use are increasingly important for capacity planning, emissions accounting, and efficiency prioritization. Many public estimates are inconsistent and overstate energy use, because they extrapolate from limited benchmarks and fail to reflect efficiency gains achievable at scale. In this perspective, we introduce a bottom-up methodology to estimate the per-query energy of large-scale LLM systems based on token throughput. For models running on an H100 node under realistic workloads, GPU utilization and PUE constraints, we estimate a median energy per query of 0.34 Wh (IQR: 0.18-0.67) for frontier-scale models (>200 billion parameters). These results are consistent with measurements using production-scale configurations and show that non-production estimates and assumptions can overstate energy use by 4-20x. Extending to test-time scaling scenarios with 15x more tokens per typical query, the median energy rises 13x to 4.32 Wh, indicating that targeting efficiency in this regime will deliver the largest fleet-wide savings. We quantify achievable efficiency gains at the model, serving platform, and hardware levels, finding individual median reductions of 1.5-3.5x in energy per query, while combined advances can plausibly deliver 8-20x reductions. To illustrate the system-level impact, we estimate the baseline daily energy use of a deployment serving 1 billion queries to be 0.8 GWh/day. If 10% are long queries, demand could grow to 1.8 GWh/day. With targeted efficiency interventions, it falls to 0.9 GWh/day, similar to the energy footprint of web search at that scale. This echoes how data centers historically tempered energy growth through efficiency gains during the internet and cloud build-up.
We present LLM Trainer, a fully automated pipeline that leverages the world knowledge of Large Language Models (LLMs) to transform a small number of human demonstrations (as few as one) into a large robot dataset for imitation learning. Our approach decomposes demonstration generation into two steps: (1) offline demonstration annotation that extracts keyframes, salient objects, and pose-object relations; and (2) online keypose retargeting that adapts those keyframes to a new scene, given an initial observation. Using these modified keypoints, our system warps the original demonstration to generate a new trajectory, which is then executed, and the resulting demo, if successful, is saved. Because the annotation is reusable across scenes, we use Thompson sampling to optimize the annotation, significantly improving generation success rate. We evaluate our method on a range of tasks, and find that our data annotation method consistently outperforms expert-engineered baselines. We further show an ensemble policy that combines the optimized LLM feed-forward plan with a learned feedback imitation learning controller. Finally, we demonstrate hardware feasibility on a Franka Emika Panda robot. For additional materials and demonstration videos, please see the project website: https://sites.google.com/andrew.cmu.edu/llm-trainer
Certain strong LLMs have shown promise for zero-shot formal planning by generating planning languages like PDDL. Yet, performance of most open-source models under 50B parameters has been reported to be close to zero due to the low-resource nature of these languages. We significantly improve their performance via a series of lightweight pipelines that integrates documentation retrieval with modular code generation and error refinement. With models like Llama-4-Maverick, our best pipeline improves plan correctness from 0\% to over 80\% on the common BlocksWorld domain. However, while syntactic errors are substantially reduced, semantic errors persist in more challenging domains, revealing fundamental limitations in current models' reasoning capabilities.\footnote{Our code and data can be found at https://github.com/Nangxxxxx/PDDL-RAG
Large Language Models (LLMs) have been widely adopted as task planners for AI agents in sequential decision-making problems, leveraging their extensive world knowledge. However, the gap between their general knowledge and environment-specific requirements often leads to inaccurate plans. To address this, existing approaches rely on frequent LLM queries to iteratively refine plans based on immediate environmental feedback, which incurs substantial query costs. However, this refinement is typically guided by short-term environmental feedback, limiting LLMs from developing plans aligned with long-term rewards. We propose Code Driven Planning with Domain-Adaptive Critic (CoPiC). Instead of relying on frequent queries, CoPiC employs LLMs to generate a diverse set of high-level planning programs, which iteratively produce and refine candidate plans. A trained domain-adaptive critic then evaluates these candidates and selects the one most aligned with long-term rewards for execution. Using high-level planning programs as planner and domain-adaptive critic as estimator, CoPiC improves planning while significantly reducing query costs. Results in ALFWorld, NetHack, and StarCraft II Unit Building show that CoPiC outperforms advanced LLM-based baselines, AdaPlanner and Reflexion, achieving an average (1) 23.33% improvement in success rate and (2) 91.27% reduction in query costs.
As data continues to grow in scale and complexity, preparing, transforming, and analyzing it remains labor-intensive, repetitive, and difficult to scale. Since data contains knowledge and AI learns knowledge from it, the alignment between AI and data is essential. However, data is often not structured in ways that are optimal for AI utilization. Moreover, an important question arises: how much knowledge can we pack into data through intensive data operations? Autonomous data agents (DataAgents), which integrate LLM reasoning with task decomposition, action reasoning and grounding, and tool calling, can autonomously interpret data task descriptions, decompose tasks into subtasks, reason over actions, ground actions into python code or tool calling, and execute operations. Unlike traditional data management and engineering tools, DataAgents dynamically plan workflows, call powerful tools, and adapt to diverse data tasks at scale. This report argues that DataAgents represent a paradigm shift toward autonomous data-to-knowledge systems. DataAgents are capable of handling collection, integration, preprocessing, selection, transformation, reweighing, augmentation, reprogramming, repairs, and retrieval. Through these capabilities, DataAgents transform complex and unstructured data into coherent and actionable knowledge. We first examine why the convergence of agentic AI and data-to-knowledge systems has emerged as a critical trend. We then define the concept of DataAgents and discuss their architectural design, training strategies, as well as the new skills and capabilities they enable. Finally, we call for concerted efforts to advance action workflow optimization, establish open datasets and benchmark ecosystems, safeguard privacy, balance efficiency with scalability, and develop trustworthy DataAgent guardrails to prevent malicious actions.
To assist users in complex tasks, LLMs generate plans: step-by-step instructions towards a goal. While alignment methods aim to ensure LLM plans are helpful, they train (RLHF) or evaluate (ChatbotArena) on what users prefer, assuming this reflects what helps them. We test this with Planorama: an interface where 126 users answer 300 multi-step questions with LLM plans. We get 4388 plan executions and 5584 comparisons to measure plan helpfulness (QA success) and user preferences on plans, and recreate the setup in agents and reward models to see if they simulate or prefer what helps users. We expose: 1) user/model preferences and agent success do not accurately predict which plans help users, so common alignment feedback can misalign with helpfulness; 2) this gap is not due to user-specific preferences, as users are similarly successful when using plans they prefer/disprefer; 3) surface-level cues like brevity and question similarity strongly link to preferences, but such biases fail to predict helpfulness. In all, we argue aligning helpful LLMs needs feedback from real user interactions, not just preferences of what looks helpful, so we discuss the plan NLP researchers can execute to solve this problem.
Large language models (LLMs)-based code generation for robotic manipulation has recently shown promise by directly translating human instructions into executable code, but existing methods remain noisy, constrained by fixed primitives and limited context windows, and struggle with long-horizon tasks. While closed-loop feedback has been explored, corrected knowledge is often stored in improper formats, restricting generalization and causing catastrophic forgetting, which highlights the need for learning reusable skills. Moreover, approaches that rely solely on LLM guidance frequently fail in extremely long-horizon scenarios due to LLMs' limited reasoning capability in the robotic domain, where such issues are often straightforward for humans to identify. To address these challenges, we propose a human-in-the-loop framework that encodes corrections into reusable skills, supported by external memory and Retrieval-Augmented Generation with a hint mechanism for dynamic reuse. Experiments on Ravens, Franka Kitchen, and MetaWorld, as well as real-world settings, show that our framework achieves a 0.93 success rate (up to 27% higher than baselines) and a 42% efficiency improvement in correction rounds. It can robustly solve extremely long-horizon tasks such as "build a house", which requires planning over 20 primitives.
Large language models (LLMs) can translate natural language instructions into executable action plans for robotics, autonomous driving, and other domains. Yet, deploying LLM-driven planning in the physical world demands strict adherence to safety and regulatory constraints, which current models often violate due to hallucination or weak alignment. Traditional data-driven alignment methods, such as Direct Preference Optimization (DPO), require costly human labeling, while recent formal-feedback approaches still depend on resource-intensive fine-tuning. In this paper, we propose LAD-VF, a fine-tuning-free framework that leverages formal verification feedback for automated prompt engineering. By introducing a formal-verification-informed text loss integrated with LLM-AutoDiff, LAD-VF iteratively refines prompts rather than model parameters. This yields three key benefits: (i) scalable adaptation without fine-tuning; (ii) compatibility with modular LLM architectures; and (iii) interpretable refinement via auditable prompts. Experiments in robot navigation and manipulation tasks demonstrate that LAD-VF substantially enhances specification compliance, improving success rates from 60% to over 90%. Our method thus presents a scalable and interpretable pathway toward trustworthy, formally-verified LLM-driven control systems.
We introduce Reasoning Core, a new scalable environment for Reinforcement Learning with Verifiable Rewards (RLVR), designed to advance foundational symbolic reasoning in Large Language Models (LLMs). Unlike existing benchmarks that focus on games or isolated puzzles, Reasoning Core procedurally generates problems across core formal domains, including PDDL planning, first-order logic, context-free grammar parsing, causal reasoning, and system equation solving. The environment is built on key design principles of high-generality problem distributions, verification via external tools, and continuous difficulty control, which together provide a virtually infinite supply of novel training instances. Initial zero-shot evaluations with frontier LLMs confirm the difficulty of Reasoning Core's tasks, positioning it as a promising resource to improve the reasoning capabilities of future models.
Security practitioners face growing challenges in exploit assessment, as public vulnerability repositories are increasingly populated with inconsistent and low-quality exploit artifacts. Existing scoring systems, such as CVSS and EPSS, offer limited support for this task. They either rely on theoretical metrics or produce opaque probability estimates without assessing whether usable exploit code exists. In practice, security teams often resort to manual triage of exploit repositories, which is time-consuming, error-prone, and difficult to scale. We present AEAS, an automated system designed to assess and prioritize actionable exploits through static analysis. AEAS analyzes both exploit code and associated documentation to extract a structured set of features reflecting exploit availability, functionality, and setup complexity. It then computes an actionability score for each exploit and produces ranked exploit recommendations. We evaluate AEAS on a dataset of over 5,000 vulnerabilities derived from 600+ real-world applications frequently encountered by red teams. Manual validation and expert review on representative subsets show that AEAS achieves a 100% top-3 success rate in recommending functional exploits and shows strong alignment with expert-validated rankings. These results demonstrate the effectiveness of AEAS in supporting exploit-driven vulnerability prioritization.
Large language models (LLMs) have advanced code generation from single-function tasks to competitive-programming problems, but existing multi-agent solutions either rely on costly large-scale ($>$ 30B) models or collapse when downsized to small open-source models. We present MapCoder-Lite, which upgrades a single 7B model into four role-specialised agents-retriever, planner, coder, and debugger-using only rank-32, role-specific LoRA adapters ($<3\%$ extra parameters). Three lightweight techniques make this possible: (i) trajectory distillation from strong LLMs fixes format fragility in retrieval and debugging, (ii) supervisor-guided correction strengthens planning and coding agents, and (iii) agent-wise LoRA fine-tuning delivers memory-efficient specialisation. Comprehensive evaluation on xCodeEval, APPS, and CodeContests shows that MapCoder-Lite more than doubles xCodeEval accuracy (from $13.2\%$ to $28.3\%$), eliminates all format failures, and closes to within six points of a 32B baseline while cutting GPU memory and token-generation time by $4\times$. These results demonstrate that careful agent-wise fine-tuning unleashes high-quality multi-agent coding on a small language model.
Dialogue agents based on large language models (LLMs) have shown promising performance in proactive dialogue, which requires effective strategy planning. However, existing approaches to strategy planning for proactive dialogue face several limitations: limited strategy coverage, preference bias in planning, and reliance on costly additional training. To address these, we propose PRINCIPLES: a synthetic strategy memory for proactive dialogue agents. PRINCIPLES is derived through offline self-play simulations and serves as reusable knowledge that guides strategy planning during inference, eliminating the need for additional training and data annotation. We evaluate PRINCIPLES in both emotional support and persuasion domains, demonstrating consistent improvements over strong baselines. Furthermore, PRINCIPLES maintains its robustness across extended and more diverse evaluation settings. See our project page at https://huggingface.co/spaces/kimnamssya/Principles.
Building compliance checking (BCC) is a critical process for ensuring that constructed facilities meet regulatory standards. A core component of BCC is the accurate enumeration of facility types and their spatial distribution. Despite its importance, this problem has been largely overlooked in the literature, posing a significant challenge for BCC and leaving a critical gap in existing workflows. Performing this task manually is time-consuming and labor-intensive. Recent advances in large language models (LLMs) offer new opportunities to enhance automation by combining visual recognition with reasoning capabilities. In this paper, we introduce a new task for BCC: automated facility enumeration, which involves validating the quantity of each facility type against statutory requirements. To address it, we propose a novel method that integrates door detection with LLM-based reasoning. We are the first to apply LLMs to this task and further enhance their performance through a Chain-of-Thought (CoT) pipeline. Our approach generalizes well across diverse datasets and facility types. Experiments on both real-world and synthetic floor plan data demonstrate the effectiveness and robustness of our method.
Modern signal processing (SP) pipelines, whether model-based or data-driven, often constrained by complex and fragmented workflow, rely heavily on expert knowledge and manual engineering, and struggle with adaptability and generalization under limited data. In contrast, Large Language Models (LLMs) offer strong reasoning capabilities, broad general-purpose knowledge, in-context learning, and cross-modal transfer abilities, positioning them as powerful tools for automating and generalizing SP workflows. Motivated by these potentials, we introduce SignalLLM, the first general-purpose LLM-based agent framework for general SP tasks. Unlike prior LLM-based SP approaches that are limited to narrow applications or tricky prompting, SignalLLM introduces a principled, modular architecture. It decomposes high-level SP goals into structured subtasks via in-context learning and domain-specific retrieval, followed by hierarchical planning through adaptive retrieval-augmented generation (RAG) and refinement; these subtasks are then executed through prompt-based reasoning, cross-modal reasoning, code synthesis, model invocation, or data-driven LLM-assisted modeling. Its generalizable design enables the flexible selection of problem solving strategies across different signal modalities, task types, and data conditions. We demonstrate the versatility and effectiveness of SignalLLM through five representative tasks in communication and sensing, such as radar target detection, human activity recognition, and text compression. Experimental results show superior performance over traditional and existing LLM-based methods, particularly in few-shot and zero-shot settings.
This paper introduces MCTS-EP, an online learning framework that combines large language models (LLM) with Monte Carlo Tree Search (MCTS) for training embodied agents. MCTS-EP integrates three key components: MCTS-guided exploration for preference data collection, efficient multi-modal reasoning mechanism, and iterative training pipeline based on preference optimization. We theoretically prove that MCTS-EP achieves better performance bounds than conventional on-policy algorithms when the loss function is strongly convex, and demonstrate that it can be formulated as a search-enhanced variant of GAIL. MCTS-EP achieves state-of-the-art performace across serval benchmarks. In ALFWorld, it achieves 92% and 87% success rates for textual and visual tasks. In WebShop, it reaches an average reward of 0.81. MTCS-EP also reduces average interaction steps from from 18.7/19.5 to 10.2/9.9 steps in visual ALFWorld.Code available at: https://github.com/xuhang-2/Embodied-Agent-Planning
As robots proliferate in manufacturing, Design for Robotic Assembly (DfRA), which is designing products for efficient automated assembly, is increasingly important. Traditional approaches to DfRA rely on manual planning, which is time-consuming, expensive and potentially impractical for complex objects. Large language models (LLM) have exhibited proficiency in semantic interpretation and robotic task planning, stimulating interest in their application to the automation of DfRA. But existing methodologies typically rely on heuristic strategies and rigid, hard-coded physics simulators that may not translate into real-world assembly contexts. In this work, we present Iterative Design for Robotic Assembly (IDfRA), a framework using iterative cycles of planning, execution, verification, and re-planning, each informed by self-assessment, to progressively enhance design quality within a fixed yet initially under-specified environment, thereby eliminating the physics simulation with the real world itself. The framework accepts as input a target structure together with a partial environmental representation. Through successive refinement, it converges toward solutions that reconcile semantic fidelity with physical feasibility. Empirical evaluation demonstrates that IDfRA attains 73.3\% top-1 accuracy in semantic recognisability, surpassing the baseline on this metric. Moreover, the resulting assembly plans exhibit robust physical feasibility, achieving an overall 86.9\% construction success rate, with design quality improving across iterations, albeit not always monotonically. Pairwise human evaluation further corroborates the advantages of IDfRA relative to alternative approaches. By integrating self-verification with context-aware adaptation, the framework evidences strong potential for deployment in unstructured manufacturing scenarios.
While Large Language Models (LLMs) have demonstrated impressive reasoning and planning abilities in textual domains and can effectively follow instructions for complex tasks, their capacity for spatial understanding and reasoning remains limited. Such capabilities, however, are critical for applications like content-aware graphic layout design, which demands precise placement, alignment, and structural organization of multiple elements within constrained visual spaces. To address this gap, we propose LaySPA, a reinforcement learning-based framework that augments LLM agents with explicit spatial reasoning capabilities. LaySPA leverages hybrid reward signals that capture geometric validity, structural fidelity, and visual quality, enabling agents to model inter-element relationships, navigate the canvas, and optimize spatial arrangements. Through iterative self-exploration and adaptive policy optimization, LaySPA produces both interpretable reasoning traces and structured layouts. Experimental results demonstrate that LaySPA generates structurally sound and visually appealing layouts, outperforming larger general-purpose LLMs and achieving results on par with state-of-the-art specialized layout models.
Large Language Models (LLMs) have enabled the emergence of autonomous agents capable of complex reasoning, planning, and interaction. However, coordinating such agents at scale remains a fundamental challenge, particularly in decentralized environments where communication lacks transparency and agent behavior cannot be shaped through centralized incentives. We propose a blockchain-based framework that enables transparent agent registration, verifiable task allocation, and dynamic reputation tracking through smart contracts. The core of our design lies in two mechanisms: a matching score-based task allocation protocol that evaluates agents by reputation, capability match, and workload; and a behavior-shaping incentive mechanism that adjusts agent behavior via feedback on performance and reward. Our implementation integrates GPT-4 agents with Solidity contracts and demonstrates, through 50-round simulations, strong task success rates, stable utility distribution, and emergent agent specialization. The results underscore the potential for trustworthy, incentive-compatible multi-agent coordination in open environments.
Reinforcement learning (RL) is a promising approach for robotic manipulation, but it can suffer from low sample efficiency and requires extensive exploration of large state-action spaces. Recent methods leverage the commonsense knowledge and reasoning abilities of large language models (LLMs) to guide exploration toward more meaningful states. However, LLMs can produce plans that are semantically plausible yet physically infeasible, yielding unreliable behavior. We introduce LLM-TALE, a framework that uses LLMs' planning to directly steer RL exploration. LLM-TALE integrates planning at both the task level and the affordance level, improving learning efficiency by directing agents toward semantically meaningful actions. Unlike prior approaches that assume optimal LLM-generated plans or rewards, LLM-TALE corrects suboptimality online and explores multimodal affordance-level plans without human supervision. We evaluate LLM-TALE on pick-and-place tasks in standard RL benchmarks, observing improvements in both sample efficiency and success rates over strong baselines. Real-robot experiments indicate promising zero-shot sim-to-real transfer. Code and supplementary material are available at https://llm-tale.github.io.
Human mobility forecasting is important for applications such as transportation planning, urban management, and personalized recommendations. However, existing methods often fail to generalize to unseen users or locations and struggle to capture dynamic intent due to limited labeled data and the complexity of mobility patterns. We propose ZHMF, a framework for zero-shot human mobility forecasting that combines a semantic enhanced retrieval and reflection mechanism with a hierarchical language model based reasoning system. The task is reformulated as a natural language question answering paradigm. Leveraging LLMs semantic understanding of user histories and context, our approach handles previously unseen prediction scenarios. We further introduce a hierarchical reflection mechanism for iterative reasoning and refinement by decomposing forecasting into an activity level planner and a location level selector, enabling collaborative modeling of long term user intentions and short term contextual preferences. Experiments on standard human mobility datasets show that our approach outperforms existing models. Ablation studies reveal the contribution of each module, and case studies illustrate how the method captures user intentions and adapts to diverse contextual scenarios.
Empowering large language models (LLMs) with chemical intelligence remains a challenge due to the scarcity of high-quality, domain-specific instruction-response datasets and the misalignment of existing synthetic data generation pipelines with the inherently hierarchical and rule-governed structure of chemical information. To address this, we propose ChemOrch, a framework that synthesizes chemically grounded instruction-response pairs through a two-stage process: task-controlled instruction generation and tool-aware response construction. ChemOrch enables controllable diversity and levels of difficulty for the generated tasks, and ensures response precision through tool planning and distillation, and tool-based self-repair mechanisms. The effectiveness of ChemOrch is evaluated based on: 1) the high quality of generated instruction data, demonstrating superior diversity and strong alignment with chemical constraints; 2) the reliable generation of evaluation tasks that more effectively reveal LLM weaknesses in chemistry; and 3) the significant improvement of LLM chemistry capabilities when the generated instruction data are used for fine-tuning. Our work thus represents a critical step toward scalable and verifiable chemical intelligence in LLMs.
Grounding large language models (LLMs) in external knowledge sources is a promising method for faithful prediction. While existing grounding approaches work well for simple queries, many real-world information needs require synthesizing multiple pieces of evidence. We introduce "integrative grounding" -- the challenge of retrieving and verifying multiple inter-dependent pieces of evidence to support a hypothesis query. To systematically study this problem, we repurpose data from four domains for evaluating integrative grounding capabilities. Our investigation reveals two critical findings: First, in groundedness verification, while LLMs are robust to redundant evidence, they tend to rationalize using internal knowledge when information is incomplete. Second, in examining retrieval planning strategies, we find that undirected planning can degrade performance through noise introduction, while premise abduction emerges as a promising approach due to its logical constraints. Additionally, LLMs' zero-shot self-reflection capabilities consistently improve grounding quality. These insights provide valuable direction for developing more effective integrative grounding systems.
Imagine AI assistants that enhance conversations without interrupting them: quietly providing relevant information during a medical consultation, seamlessly preparing materials as teachers discuss lesson plans, or unobtrusively scheduling meetings as colleagues debate calendars. While modern conversational LLM agents directly assist human users with tasks through a chat interface, we study this alternative paradigm for interacting with LLM agents, which we call "overhearing agents." Rather than demanding the user's attention, overhearing agents continuously monitor ambient activity and intervene only when they can provide contextual assistance. In this paper, we present the first analysis of overhearing LLM agents as a distinct paradigm in human-AI interaction and establish a taxonomy of overhearing agent interactions and tasks grounded in a survey of works on prior LLM-powered agents and exploratory HCI studies. Based on this taxonomy, we create a list of best practices for researchers and developers building overhearing agent systems. Finally, we outline the remaining research gaps and reveal opportunities for future research in the overhearing paradigm.