Abstract:Many real-world tasks require LLM agents to interact with their environments over long execution horizons. Errors that occur early in execution may propagate through both the agent context and environment state, and their effects may be difficult to reverse through subsequent actions. Existing methods mainly seek to reduce such errors through plan refinement and safety checks but provide little support after errors occur. To enable recovery during long-horizon execution, we present AgentRewind, a runtime recovery framework that records aligned checkpoints of the agent context and controlled environment, allowing agents to return to an earlier state and resume execution with information from previous attempts. We also construct MettleBench, a benchmark for evaluating task completion and partial progress on long-horizon engineering assignments containing a series of related requirements. Experiments across tasks, multiple models, execution strategies, and agent harnesses show that AgentRewind improves task success rate and average checklist progress over the compared baselines.
Abstract:Agents for long term reasoning require a memory that can be efficiently and effectively updated over time, as new facts and external feedback continue to arrive. Recently, graph memory has been adopted to offer structural organization for multi-hop retrieval and reasoning. However, existing methods store all memories in a flat graph, and accumulated historical memories can introduce irrelevant contexts and increase the cost of evidence selection during retrieval. Moreover, they typically update memory units independently, requiring repeated unit-wise rewrite to cover related changes. To address these issues, we propose HiGram, an evolving hierarchical graph memory framework with path-level localization and rewriting. Specifically, we first propose a hierarchical graph memory, which organizes the memory into coarse-to-fine architecture composed of upper-level nodes and MemoryUnits, thereby reducing the amount of irrelevant information during retrieval. We further propose MicroGraph-based path-level localization, which leverages query and update conditioned MicroGraphs to identify support subgraph and evidence path before rewrite. Finally, we propose a coordinated rewriting method that jointly revises intra-unit memory and inter-unit dependencies, enable valid dependency structures updating in the localized evidence path. Experiments on benchmarks for long-term conversational question answering and conflict-aware memory evaluation demonstrate that our method demonstrate substantial improvements over baselines in answer quality and token efficiency. Besides, our method improves answer accuracy and query-valid evidence selection under dynamic, static, and conditional conflicts.
Abstract:Complex tasks often decompose into parallelizable yet interdependent subtasks, making orchestration critical to the performance of multi-agent systems (MAS). Existing evaluations typically rely on end-to-end execution, which conflates orchestration-plan quality with worker capabilities, tool reliability, and environmental noise. Moreover, the time and token costs of real execution grow rapidly with workflow scale, making systematic evaluation expensive. We present OrchBench, a simulation-based benchmark for evaluating multi-agent orchestration plans in isolation. Starting from real-world tasks, OrchBench constructs directed acyclic graphs (DAGs) that encode task dependencies, with controlled sizes and degrees of parallelism. Given a DAG, a per-agent context limit, and an agent budget, the evaluated planner assigns subtasks to agents and specifies cross-agent information transfers and their retention ratios. A deterministic simulator evaluates the resulting plan without invoking worker agents and returns interpretable measures of result quality, makespan, and token cost. The simulated scores produced by OrchBench correlate strongly with quality scores from Claude Code executions, achieving a Pearson correlation of \(r=0.816\), while requiring only \(1.3\%\) of the tokens and \(10.3\%\) of the wall-clock time. Across diverse planners and workflow scales, we find that preserving task-critical information is more important than simply increasing the number of agents, and the benefits of parallelism diminish as coordination failures accumulate. These results establish OrchBench as an efficient and interpretable benchmark for comparing and diagnosing multi-agent orchestration plans.
Abstract:GUI agents enable end-to-end automation through direct perception of and interaction with on-screen interfaces. However, these agents frequently access interfaces containing sensitive personal information, and screenshots are often transmitted to remote models, creating substantial privacy risks. These risks are particularly severe in GUI workflows: GUIs expose richer, more accessible private information, and privacy risks depend on interaction trajectories across sequential scenes. We propose GUIGuard, a three-stage framework for privacy-preserving GUI agents: (1) privacy recognition, (2) privacy protection, and (3) task execution under protection. We further construct GUIGuard-Bench, a cross-platform benchmark with 630 trajectories and 13,830 screenshots, annotated with region-level privacy grounding and fine-grained labels of risk level, privacy category, and task necessity. Evaluations reveal that existing agents exhibit limited privacy recognition, with state-of-the-art models achieving only 13.3% accuracy on Android and 1.4% on PC. Under privacy protection, task-planning semantics can still be maintained, with closed-source models showing stronger semantic consistency than open-source ones. Case studies on MobileWorld show that carefully designed protection strategies achieve higher task accuracy while preserving privacy. Our results highlight privacy recognition as a critical bottleneck for practical GUI agents. Project: https://futuresis.github.io/GUIGuard-page/
Abstract:Test-time scaling has emerged as a promising direction for enhancing the reasoning capabilities of Large Language Models in last few years. In this work, we propose Population-Evolve, a training-free method inspired by Genetic Algorithms to optimize LLM reasoning. Our approach maintains a dynamic population of candidate solutions for each problem via parallel reasoning. By incorporating an evolve prompt, the LLM self-evolves its population in all iterations. Upon convergence, the final answer is derived via majority voting. Furthermore, we establish a unification framework that interprets existing test-time scaling strategies through the lens of genetic algorithms. Empirical results demonstrate that Population-Evolve achieves superior accuracy with low performance variance and computational efficiency. Our findings highlight the potential of evolutionary strategies to unlock the reasoning power of LLMs during inference.
Abstract:We introduce a finance & accounting benchmark (Finch) for evaluating AI agents on real-world, enterprise-grade professional workflows -- interleaving data entry, structuring, formatting, web search, cross-file retrieval, calculation, modeling, validation, translation, visualization, and reporting. Finch is sourced from authentic enterprise workspaces at Enron (15,000 spreadsheets and 500,000 emails from 150 employees) and other financial institutions, preserving in-the-wild messiness across multimodal artifacts (text, tables, formulas, charts, code, and images) and spanning diverse domains such as budgeting, trading, and asset management. We propose a workflow construction process that combines LLM-assisted discovery with expert annotation: (1) LLM-assisted, expert-verified derivation of workflows from real-world email threads and version histories of spreadsheet files, and (2) meticulous expert annotation for workflows, requiring over 700 hours of domain-expert effort. This yields 172 composite workflows with 384 tasks, involving 1,710 spreadsheets with 27 million cells, along with PDFs and other artifacts, capturing the intrinsically messy, long-horizon, knowledge-intensive, and collaborative nature of real-world enterprise work. We conduct both human and automated evaluations of frontier AI systems including GPT 5.1, Claude Sonnet 4.5, Gemini 3 Pro, Grok 4, and Qwen 3 Max, and GPT 5.1 Pro spends 48 hours in total yet passes only 38.4% of workflows, while Claude Sonnet 4.5 passes just 25.0%. Comprehensive case studies further surface the challenges that real-world enterprise workflows pose for AI agents.




Abstract:Foundation models have revolutionized natural language processing and artificial intelligence, significantly enhancing how machines comprehend and generate human languages. Inspired by the success of these foundation models, researchers have developed foundation models for individual scientific domains, including small molecules, materials, proteins, DNA, and RNA. However, these models are typically trained in isolation, lacking the ability to integrate across different scientific domains. Recognizing that entities within these domains can all be represented as sequences, which together form the "language of nature", we introduce Nature Language Model (briefly, NatureLM), a sequence-based science foundation model designed for scientific discovery. Pre-trained with data from multiple scientific domains, NatureLM offers a unified, versatile model that enables various applications including: (i) generating and optimizing small molecules, proteins, RNA, and materials using text instructions; (ii) cross-domain generation/design, such as protein-to-molecule and protein-to-RNA generation; and (iii) achieving state-of-the-art performance in tasks like SMILES-to-IUPAC translation and retrosynthesis on USPTO-50k. NatureLM offers a promising generalist approach for various scientific tasks, including drug discovery (hit generation/optimization, ADMET optimization, synthesis), novel material design, and the development of therapeutic proteins or nucleotides. We have developed NatureLM models in different sizes (1 billion, 8 billion, and 46.7 billion parameters) and observed a clear improvement in performance as the model size increases.




Abstract:The accurate prediction of geometric state evolution in complex systems is critical for advancing scientific domains such as quantum chemistry and material modeling. Traditional experimental and computational methods face challenges in terms of environmental constraints and computational demands, while current deep learning approaches still fall short in terms of precision and generality. In this work, we introduce the Geometric Diffusion Bridge (GDB), a novel generative modeling framework that accurately bridges initial and target geometric states. GDB leverages a probabilistic approach to evolve geometric state distributions, employing an equivariant diffusion bridge derived by a modified version of Doob's $h$-transform for connecting geometric states. This tailored diffusion process is anchored by initial and target geometric states as fixed endpoints and governed by equivariant transition kernels. Moreover, trajectory data can be seamlessly leveraged in our GDB framework by using a chain of equivariant diffusion bridges, providing a more detailed and accurate characterization of evolution dynamics. Theoretically, we conduct a thorough examination to confirm our framework's ability to preserve joint distributions of geometric states and capability to completely model the underlying dynamics inducing trajectory distributions with negligible error. Experimental evaluations across various real-world scenarios show that GDB surpasses existing state-of-the-art approaches, opening up a new pathway for accurately bridging geometric states and tackling crucial scientific challenges with improved accuracy and applicability.
Abstract:Molecular modeling, a central topic in quantum mechanics, aims to accurately calculate the properties and simulate the behaviors of molecular systems. The molecular model is governed by physical laws, which impose geometric constraints such as invariance and equivariance to coordinate rotation and translation. While numerous deep learning approaches have been developed to learn molecular representations under these constraints, most of them are built upon heuristic and costly modules. We argue that there is a strong need for a general and flexible framework for learning both invariant and equivariant features. In this work, we introduce a novel Transformer-based molecular model called GeoMFormer to achieve this goal. Using the standard Transformer modules, two separate streams are developed to maintain and learn invariant and equivariant representations. Carefully designed cross-attention modules bridge the two streams, allowing information fusion and enhancing geometric modeling in each stream. As a general and flexible architecture, we show that many previous architectures can be viewed as special instantiations of GeoMFormer. Extensive experiments are conducted to demonstrate the power of GeoMFormer. All empirical results show that GeoMFormer achieves strong performance on both invariant and equivariant tasks of different types and scales. Code and models will be made publicly available at https://github.com/c-tl/GeoMFormer.




Abstract:Large language models (LLMs) have demonstrated impressive performance on many tasks. However, to achieve optimal performance, specially designed prompting methods are still needed. These methods either rely on task-specific few-shot examples that require a certain level of domain knowledge, or are designed to be simple but only perform well on a few types of tasks. In this work, we attempt to introduce the concept of generalist prompting, which operates on the design principle of achieving optimal or near-optimal performance on a wide range of tasks while eliminating the need for manual selection and customization of prompts tailored to specific problems. Furthermore, we propose MeMo (Mental Models), an innovative prompting method that is simple-designed yet effectively fulfills the criteria of generalist prompting. MeMo distills the cores of various prompting methods into individual mental models and allows LLMs to autonomously select the most suitable mental models for the problem, achieving or being near to the state-of-the-art results on diverse tasks such as STEM, logical reasoning, and commonsense reasoning in zero-shot settings. We hope that the insights presented herein will stimulate further exploration of generalist prompting methods for LLMs.