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Aug 24

FSM: A Finite State Machine Based Zero-Shot Prompting Paradigm for Multi-Hop Question Answering

Large Language Models (LLMs) with chain-of-thought (COT) prompting have demonstrated impressive abilities on simple nature language inference tasks. However, they tend to perform poorly on Multi-hop Question Answering (MHQA) tasks due to several challenges, including hallucination, error propagation and limited context length. We propose a prompting method, Finite State Machine (FSM) to enhance the reasoning capabilities of LLM for complex tasks in addition to improved effectiveness and trustworthiness. Different from COT methods, FSM addresses MHQA by iteratively decomposing a question into multi-turn sub-questions, and self-correcting in time, improving the accuracy of answers in each step. Specifically, FSM addresses one sub-question at a time and decides on the next step based on its current result and state, in an automaton-like format. Experiments on benchmarks show the effectiveness of our method. Although our method performs on par with the baseline on relatively simpler datasets, it excels on challenging datasets like Musique. Moreover, this approach mitigates the hallucination phenomenon, wherein the correct final answer can be recovered despite errors in intermediate reasoning. Furthermore, our method improves LLMs' ability to follow specified output format requirements, significantly reducing the difficulty of answer interpretation and the need for reformatting.

  • 7 authors
·
Jul 3, 2024

Foundation Models in Autonomous Driving: A Survey on Scenario Generation and Scenario Analysis

For autonomous vehicles, safe navigation in complex environments depends on handling a broad range of diverse and rare driving scenarios. Simulation- and scenario-based testing have emerged as key approaches to development and validation of autonomous driving systems. Traditional scenario generation relies on rule-based systems, knowledge-driven models, and data-driven synthesis, often producing limited diversity and unrealistic safety-critical cases. With the emergence of foundation models, which represent a new generation of pre-trained, general-purpose AI models, developers can process heterogeneous inputs (e.g., natural language, sensor data, HD maps, and control actions), enabling the synthesis and interpretation of complex driving scenarios. In this paper, we conduct a survey about the application of foundation models for scenario generation and scenario analysis in autonomous driving (as of May 2025). Our survey presents a unified taxonomy that includes large language models, vision-language models, multimodal large language models, diffusion models, and world models for the generation and analysis of autonomous driving scenarios. In addition, we review the methodologies, open-source datasets, simulation platforms, and benchmark challenges, and we examine the evaluation metrics tailored explicitly to scenario generation and analysis. Finally, the survey concludes by highlighting the open challenges and research questions, and outlining promising future research directions. All reviewed papers are listed in a continuously maintained repository, which contains supplementary materials and is available at https://github.com/TUM-AVS/FM-for-Scenario-Generation-Analysis.

LLM-FSM: Scaling Large Language Models for Finite-State Reasoning in RTL Code Generation

Finite-state reasoning, the ability to understand and implement state-dependent behavior, is central to hardware design. In this paper, we present LLM-FSM, a benchmark that evaluates how well large language models (LLMs) can recover finite-state machine (FSM) behavior from natural-language specifications and translate it into correct register transfer-level (RTL) implementations. Unlike prior specification-to-RTL benchmarks that rely on manually constructed examples, LLM-FSM is built through a fully automated pipeline. LLM-FSM first constructs FSM with configurable state counts and constrained transition structures. It then prompts LLMs to express each FSM in a structured YAML format with an application context, and to further convert that YAML into a natural-language (NL) specification. From the same YAML, our pipeline synthesizes the reference RTL and testbench in a correct-by-construction manner. All 1,000 problems are verified using LLM-based and SAT-solver-based checks, with human review on a subset. Our experiments show that even the strongest LLMs exhibit sharply declining accuracy as FSM complexity increases. We further demonstrate that training-time scaling via supervised fine-tuning (SFT) generalizes effectively to out-of-distribution (OOD) tasks, while increasing test-time compute improves reasoning reliability. Finally, LLM-FSM remains extensible by allowing its FSM complexity to scale with future model capabilities.

  • 7 authors
·
Feb 2

Foundation Models for Scientific Discovery: From Paradigm Enhancement to Paradigm Transition

Foundation models (FMs), such as GPT-4 and AlphaFold, are reshaping the landscape of scientific research. Beyond accelerating tasks such as hypothesis generation, experimental design, and result interpretation, they prompt a more fundamental question: Are FMs merely enhancing existing scientific methodologies, or are they redefining the way science is conducted? In this paper, we argue that FMs are catalyzing a transition toward a new scientific paradigm. We introduce a three-stage framework to describe this evolution: (1) Meta-Scientific Integration, where FMs enhance workflows within traditional paradigms; (2) Hybrid Human-AI Co-Creation, where FMs become active collaborators in problem formulation, reasoning, and discovery; and (3) Autonomous Scientific Discovery, where FMs operate as independent agents capable of generating new scientific knowledge with minimal human intervention. Through this lens, we review current applications and emerging capabilities of FMs across existing scientific paradigms. We further identify risks and future directions for FM-enabled scientific discovery. This position paper aims to support the scientific community in understanding the transformative role of FMs and to foster reflection on the future of scientific discovery. Our project is available at https://github.com/usail-hkust/Awesome-Foundation-Models-for-Scientific-Discovery.

usail-hkust usail-hkust
·
Oct 16, 2025 4

AIR-Bench 2024: A Safety Benchmark Based on Risk Categories from Regulations and Policies

Foundation models (FMs) provide societal benefits but also amplify risks. Governments, companies, and researchers have proposed regulatory frameworks, acceptable use policies, and safety benchmarks in response. However, existing public benchmarks often define safety categories based on previous literature, intuitions, or common sense, leading to disjointed sets of categories for risks specified in recent regulations and policies, which makes it challenging to evaluate and compare FMs across these benchmarks. To bridge this gap, we introduce AIR-Bench 2024, the first AI safety benchmark aligned with emerging government regulations and company policies, following the regulation-based safety categories grounded in our AI risks study, AIR 2024. AIR 2024 decomposes 8 government regulations and 16 company policies into a four-tiered safety taxonomy with 314 granular risk categories in the lowest tier. AIR-Bench 2024 contains 5,694 diverse prompts spanning these categories, with manual curation and human auditing to ensure quality. We evaluate leading language models on AIR-Bench 2024, uncovering insights into their alignment with specified safety concerns. By bridging the gap between public benchmarks and practical AI risks, AIR-Bench 2024 provides a foundation for assessing model safety across jurisdictions, fostering the development of safer and more responsible AI systems.

  • 12 authors
·
Jul 11, 2024

Chat2Scenic: An Iterative RAG-Based Framework for Scenario Generation in Autonomous Driving

Validating autonomous driving systems requires diverse, regulation-compliant test scenarios. In simulation-based testing, scenarios are defined as executable scripts. Yet automatically generating such scripts from regulatory descriptions remains an open challenge, and existing approaches face fundamental trade-offs. Retrieval-assemble methods achieve reasonable compilation rates but lack scalability, whereas retrieval-based full-script generation suffers from low compilation success rates. We present Chat2Scenic, the first iterative retrieval-augmented framework to generate scenario scripts in Domain Specific Language (DSL). Specifically, Chat2Scenic provides a chatbot interface that supports interactive scenario refinement and integrates Retrieval-augmented Generation (RAG) to ground scenario generation in regulatory knowledge and DSL syntax. Furthermore, we propose an open benchmark for scenario generation comprising 123 scenarios from various regulations, including NHTSA and United Nations Vehicle Regulations, as well as other sources. Extensive evaluation with State-of-the-Art (SOTA) Large Language Models (LLMs) demonstrates that Chat2Scenic achieves 76.42% Compilation Success Rate (CSR) and 58.17% Framework Accuracy (FA), outperforming existing methods (Retrieval Assemble with 30.08% CSR, 11.03% FA and Retrieval full script generation with 16.26% CSR, 10.86% FA). To facilitate future research, we release our code as open source at https://github.com/TUM-AVS/chat2scenic.

Operational Control of a Multi-energy District Heating System: Comparison of Model-Predictive Control and Rule-Based Control

This study focuses on operational control strategies for a multi-energy District Heating Network (DHN). Two control strategies are investigated and compared: (i) a reactive rule-based control (RBC) and (ii) a model predictive control (MPC). For the purpose of the study a small scale district heating network is modelled using Modelica. The production plant combines a heat pump, a gas boiler and a thermal solar field on the production side with a storage tank for flexibility purposes. On the consumption side, the virtual buildings are aggregated into a single consumer. We use our co-simulation and control platform, called Pegase, to implement the studied strategies. For both strategies the goal is to meet the consumers' demand while satisfying technical constraints. In addition MPC has the objective to minimize the operational costs, taking into account variable electricity prices and availability of solar thermal resource. Different scenarios are also defined and compared to study the effect of the heat plant sizing and forecasting error. The operational cost is reduced when switching from RBC to a MPC. As can be expected, MPC is more efficient when dealing with variable energy costs, intermittent solar energy and storage capabilities. This study also demonstrates how our tools enable an easy coupling of Modelica-based simulation with various control strategies. It especially supports the implementation and validation of complex MPC strategies in an efficient way, and yearly simulations are performed within 20 minutes.

  • 4 authors
·
Jun 17, 2025

LLM-enabled Instance Model Generation

In the domain of model-based engineering, models are essential components that enable system design and analysis. Traditionally, the creation of these models has been a manual process requiring not only deep modeling expertise but also substantial domain knowledge of target systems. With the rapid advancement of generative artificial intelligence, large language models (LLMs) show potential for automating model generation. This work explores the generation of instance models using LLMs, focusing specifically on producing XMI-based instance models from Ecore metamodels and natural language specifications. We observe that current LLMs struggle to directly generate valid XMI models. To address this, we propose a two-step approach: first, using LLMs to produce a simplified structured output containing all necessary instance model information, namely a conceptual instance model, and then compiling this intermediate representation into a valid XMI file. The conceptual instance model is format-independent, allowing it to be transformed into various modeling formats via different compilers. The feasibility of the proposed method has been demonstrated using several LLMs, including GPT-4o, o1-preview, Llama 3.1 (8B and 70B). Results show that the proposed method significantly improves the usability of LLMs for instance model generation tasks. Notably, the smaller open-source model, Llama 3.1 70B, demonstrated performance comparable to proprietary GPT models within the proposed framework.

  • 5 authors
·
Mar 28, 2025

A Comprehensive Survey in LLM(-Agent) Full Stack Safety: Data, Training and Deployment

The remarkable success of Large Language Models (LLMs) has illuminated a promising pathway toward achieving Artificial General Intelligence for both academic and industrial communities, owing to their unprecedented performance across various applications. As LLMs continue to gain prominence in both research and commercial domains, their security and safety implications have become a growing concern, not only for researchers and corporations but also for every nation. Currently, existing surveys on LLM safety primarily focus on specific stages of the LLM lifecycle, e.g., deployment phase or fine-tuning phase, lacking a comprehensive understanding of the entire "lifechain" of LLMs. To address this gap, this paper introduces, for the first time, the concept of "full-stack" safety to systematically consider safety issues throughout the entire process of LLM training, deployment, and eventual commercialization. Compared to the off-the-shelf LLM safety surveys, our work demonstrates several distinctive advantages: (I) Comprehensive Perspective. We define the complete LLM lifecycle as encompassing data preparation, pre-training, post-training, deployment and final commercialization. To our knowledge, this represents the first safety survey to encompass the entire lifecycle of LLMs. (II) Extensive Literature Support. Our research is grounded in an exhaustive review of over 800+ papers, ensuring comprehensive coverage and systematic organization of security issues within a more holistic understanding. (III) Unique Insights. Through systematic literature analysis, we have developed reliable roadmaps and perspectives for each chapter. Our work identifies promising research directions, including safety in data generation, alignment techniques, model editing, and LLM-based agent systems. These insights provide valuable guidance for researchers pursuing future work in this field.

  • 82 authors
·
Apr 22, 2025 2

The Functional Machine Calculus III: Control

The Functional Machine Calculus (Heijltjes 2022) is a new approach to unifying the imperative and functional programming paradigms. It extends the lambda-calculus, preserving the key features of confluent reduction and typed termination, to embed computational effects, evaluation strategies, and control flow operations. The first instalment modelled sequential higher-order computation with global store, input/output, probabilities, and non-determinism, and embedded both the call-by-name and call-by-value lambda-calculus, as well as Moggi's computational metalanguage and Levy's call-by-push-value. The present paper extends the calculus from sequential to branching and looping control flow. This allows the faithful embedding of a minimal but complete imperative language, including conditionals, exception handling, and iteration, as well as constants and algebraic data types. The calculus is defined through a simple operational semantics, extending the (simplified) Krivine machine for the lambda-calculus with multiple operand stacks to model effects and a continuation stack to model sequential, branching, and looping computation. It features a confluent reduction relation and a system of simple types that guarantees termination of the machine and strong normalization of reduction (in the absence of iteration). These properties carry over to the embedded imperative language, providing a unified functional-imperative model of computation that supports simple types, a direct and intuitive operational semantics, and a confluent reduction semantics.

  • 1 authors
·
Oct 9, 2025

PHMForge: Evaluating LLM Agents on Industrial Prognostics through MCP-Native, Algorithm-Grounded Tools

LLM agents are beginning to invoke industrial asset-management tools through the Model Context Protocol (MCP), yet whether they can act reliably on this substrate for safety-critical Prognostics and Health Management (PHM) is unanswered. Prior benchmarks conflate protocol fluency with reasoning, instrumentation failures with agent failures, and tool use with tool retrieval. We introduce PHMForge, an evaluation environment that closes each conflation. PHMForge ships 99 SME-authored scenarios across eight industrial asset classes spanning rotating equipment, aero-engines, and lithium-ion cells, on public datasets including NASA PCoE, served through 39 MCP-native tools wrapping published PHM algorithms (C-MAPSS, ISO~10816, Arrhenius capacity-fade models, time-series foundation models). Krippendorff's αin [0.74,,0.82] on a 30-scenario stratified rotating-equipment/aero-engine sample; the battery extension is single-rater. Across three agentic frameworks and six LLM backbones, the strongest configuration reaches 80.8\% pass@1, with the residual gap concentrated in orchestration and tool-sequencing errors. Crucially, an architectural ablation shows that replacing MCP execution with text-based Retrieval-Augmented Generation (RAG) over telemetry-equivalent evidence collapses Remaining Useful Life pass-all-3 from 100\% to 20\% (5/5 vs.\ 1/5) on the battery class, exposing the structural limits of static retrieval for prognostic computation. Trajectory decomposition shows orchestration errors dominate failures across backbones, while schema-invalid tool calls concentrate in smaller open-weight models. Frontier LLMs are stronger at calling tools than at planning when to call them. PHMForge is open-sourced with deterministic evaluators, a public leaderboard, and a datasheet.

  • 8 authors
·
May 7

LiveFMBench: Unveiling the Power and Limits of Agentic Workflows in Specification Generation

Formal specification is essential for rigorous program verification, yet writing correct specifications remains costly and difficult to automate. Although large language models (LLMs) and agents have shown promising progress, their true capabilities and failure modes remain unclear. We present the first systematic and contamination-aware study of LLM- and agent-based formal specification generation for C programs. We introduce LiveFMBench, a continuously evolving benchmark of 630 ACSL (ANSI/ISO C Specification Language)-annotated C programs, including 360 newly collected cases designed to mitigate data leakage. Using this benchmark, we evaluate direct prompting with different sampling sizes, reasoning-enabled (thinking mode) inference, the agentic pipeline, and perform a fine-grained failure analysis. Experimental results reveal that naive evaluation substantially overestimates performance because models under direct prompting may exhibit unfaithful behaviors, such as deceiving automated provers or ignoring code-context constraints; after excluding such cases, the true specification generation accuracy drops by approximately 20\%. We further find that both increased sampling and thinking mode significantly improve success rates, with smaller models benefiting more from thinking mode. Agentic pipelines are particularly effective under low sampling budgets and on harder datasets. Failure analysis further shows that incorrect loop invariants are the dominant error type, while agentic pipelines notably reduce assertion errors. These results expose fundamental limitations in current LLM-based approaches and suggest they remain far from replacing human-authored formal specifications. We release LiveFMBench at https://huggingface.co/datasets/fm-universe/Live-FM-Bench and all evaluation artifacts to support future research.

  • 12 authors
·
May 1

Cosmic Evolution Early Release Science (CEERS) survey: The colour evolution of galaxies in the distant Universe

The wavelength-coverage and sensitivity of JWST now enables us to probe the rest-frame UV - optical spectral energy distributions (SEDs) of galaxies at high-redshift (z>4). From these SEDs it is, in principle, through SED fitting possible to infer key physical properties, including stellar masses, star formation rates, and dust attenuation. These in turn can be compared with the predictions of galaxy formation simulations allowing us to validate and refine the incorporated physics. However, the inference of physical properties, particularly from photometry alone, can lead to large uncertainties and potential biases. Instead, it is now possible, and common, for simulations to be forward-modelled to yield synthetic observations that can be compared directly to real observations. In this work, we measure the JWST broadband fluxes and colours of a robust sample of 5<z<10 galaxies using the Cosmic Evolution Early Release Science (CEERS) Survey. We then analyse predictions from a variety of models using the same methodology and compare the NIRCam/F277W magnitude distribution and NIRCam colours with observations. We find that the predicted and observed magnitude distributions are similar, at least at 5<z<8. At z>8 the distributions differ somewhat, though our observed sample size is small and thus susceptible to statistical fluctuations. Likewise, the predicted and observed colour evolution show broad agreement, at least at 5<z<8. There is however some disagreement between the observed and modelled strength of the strong line contribution. In particular all the models fails to reproduce the F410M-F444W colour at z>8, though, again, the sample size is small here.

  • 23 authors
·
Nov 14, 2023

Evaluating Large Language Models in Scientific Discovery

Large language models (LLMs) are increasingly applied to scientific research, yet prevailing science benchmarks probe decontextualized knowledge and overlook the iterative reasoning, hypothesis generation, and observation interpretation that drive scientific discovery. We introduce a scenario-grounded benchmark that evaluates LLMs across biology, chemistry, materials, and physics, where domain experts define research projects of genuine interest and decompose them into modular research scenarios from which vetted questions are sampled. The framework assesses models at two levels: (i) question-level accuracy on scenario-tied items and (ii) project-level performance, where models must propose testable hypotheses, design simulations or experiments, and interpret results. Applying this two-phase scientific discovery evaluation (SDE) framework to state-of-the-art LLMs reveals a consistent performance gap relative to general science benchmarks, diminishing return of scaling up model sizes and reasoning, and systematic weaknesses shared across top-tier models from different providers. Large performance variation in research scenarios leads to changing choices of the best performing model on scientific discovery projects evaluated, suggesting all current LLMs are distant to general scientific "superintelligence". Nevertheless, LLMs already demonstrate promise in a great variety of scientific discovery projects, including cases where constituent scenario scores are low, highlighting the role of guided exploration and serendipity in discovery. This SDE framework offers a reproducible benchmark for discovery-relevant evaluation of LLMs and charts practical paths to advance their development toward scientific discovery.

  • 56 authors
·
Dec 17, 2025

PropensityBench: Evaluating Latent Safety Risks in Large Language Models via an Agentic Approach

Recent advances in Large Language Models (LLMs) have sparked concerns over their potential to acquire and misuse dangerous or high-risk capabilities, posing frontier risks. Current safety evaluations primarily test for what a model can do - its capabilities - without assessing what it would do if endowed with high-risk capabilities. This leaves a critical blind spot: models may strategically conceal capabilities or rapidly acquire them, while harboring latent inclinations toward misuse. We argue that propensity - the likelihood of a model to pursue harmful actions if empowered - is a critical, yet underexplored, axis of safety evaluation. We present PropensityBench, a novel benchmark framework that assesses the proclivity of models to engage in risky behaviors when equipped with simulated dangerous capabilities using proxy tools. Our framework includes 5,874 scenarios with 6,648 tools spanning four high-risk domains: cybersecurity, self-proliferation, biosecurity, and chemical security. We simulate access to powerful capabilities via a controlled agentic environment and evaluate the models' choices under varying operational pressures that reflect real-world constraints or incentives models may encounter, such as resource scarcity or gaining more autonomy. Across open-source and proprietary frontier models, we uncover 9 alarming signs of propensity: models frequently choose high-risk tools when under pressure, despite lacking the capability to execute such actions unaided. These findings call for a shift from static capability audits toward dynamic propensity assessments as a prerequisite for deploying frontier AI systems safely. Our code is available at https://github.com/scaleapi/propensity-evaluation.

  • 7 authors
·
Nov 24, 2025

Demystifying the Token Dynamics of Deep Selective State Space Models

Selective state space models (SSM), such as Mamba, have gained prominence for their effectiveness in modeling sequential data. Despite their outstanding empirical performance, a comprehensive theoretical understanding of deep selective SSM remains elusive, hindering their further development and adoption for applications that need high fidelity. In this paper, we investigate the dynamical properties of tokens in a pre-trained Mamba model. In particular, we derive the dynamical system governing the continuous-time limit of the Mamba model and characterize the asymptotic behavior of its solutions. In the one-dimensional case, we prove that only one of the following two scenarios happens: either all tokens converge to zero, or all tokens diverge to infinity. We provide criteria based on model parameters to determine when each scenario occurs. For the convergent scenario, we empirically verify that this scenario negatively impacts the model's performance. For the divergent scenario, we prove that different tokens will diverge to infinity at different rates, thereby contributing unequally to the updates during model training. Based on these investigations, we propose two refinements for the model: excluding the convergent scenario and reordering tokens based on their importance scores, both aimed at improving practical performance. Our experimental results validate these refinements, offering insights into enhancing Mamba's effectiveness in real-world applications.

  • 4 authors
·
Oct 4, 2024

Strategic Evaluation of Planning Strategies for LLM Agents in Cyber-Physical Systems

Evaluations of LLM planning agents largely ask whether a task succeeds or a declared plan is followed. In strategic cyber-physical systems, a stronger question is whether the planning architecture remains appropriate after autonomous participants respond and physics constrains the outcome. We introduce a controlled, physics-grounded benchmark built around planning-induced control trajectories: the ordered planning operations and directives through which an execution architecture acts on other agents and the physical process. It implements predefined, sequential, hierarchical, and search executors in a smart-grid demand-response system with 40 heterogeneous prosumers and an independently simulated radial feeder. The LLM is bounded to typed policy declaration and short operator messages, while schedule construction, prosumer dynamics, and power flow remain explicit code. The protocol uses paired forced-mode counterfactuals, common random response draws, and event-level deadline feasibility. Three properties follow. Architecture materially changes outcomes: forced search is the oracle in all five baseline seeds. Execution fidelity needs more than mode agreement: objective substitution holds agreement at 1.0 while increasing voltage shortfall by 2.68x. A 144-scenario, 576-episode bank has feasible oracles from three of the four architectures. A prespecified stress-held-out ridge has mean regret 90.7 (95% interval [73.8, 108.6]) and no detectable value over fixed sequential; applying known deadline feasibility before quality prediction cuts regret to 29.0 and improves over fixed sequential by 61.1. An all-feasible ablation does not beat fixed search, localising the remaining challenge to within-feasible quality selection. A five-model extension separates stress-conditioned, state-blind, and invariant declarers; latency tails show that live feasibility should be treated probabilistically.

  • 2 authors
·
Aug 3

ClawForge: Generating Executable Interactive Benchmarks for Command-Line Agents

Interactive agent benchmarks face a tension between scalable construction and realistic workflow evaluation. Hand-authored tasks are expensive to extend and revise, while static prompt evaluation misses failures that only appear when agents operate over persistent state. Existing interactive benchmarks have advanced agent evaluation significantly, but most initialize tasks from clean state and do not systematically test how agents handle pre-existing partial, stale, or conflicting artifacts. We present ClawForge, a generator-backed benchmark framework for executable command-line workflows under state conflict. The framework compiles scenario templates, grounded slots, initialized state, reference trajectories, and validators into reproducible task specifications, and evaluates agents step by step over persistent workflow surfaces using normalized end state and observable side effects rather than exact trajectory matching. We instantiate this framework as the ClawForge-Bench (17 scenarios, 6 ability categories). Results across seven frontier models show that the best model reaches only 45.3% strict accuracy, wrong-state replacement remains below 17\% for all models, and the widest model separation (17% to 90%) is driven by whether agents inspect existing state before acting. Partial-credit and step-efficiency analyses further reveal that many failures are near-miss closures rather than early breakdowns, and that models exhibit qualitatively different failure styles under state conflict.

  • 11 authors
·
May 12

MegaScale: Scaling Large Language Model Training to More Than 10,000 GPUs

We present the design, implementation and engineering experience in building and deploying MegaScale, a production system for training large language models (LLMs) at the scale of more than 10,000 GPUs. Training LLMs at this scale brings unprecedented challenges to training efficiency and stability. We take a full-stack approach that co-designs the algorithmic and system components across model block and optimizer design, computation and communication overlapping, operator optimization, data pipeline, and network performance tuning. Maintaining high efficiency throughout the training process (i.e., stability) is an important consideration in production given the long extent of LLM training jobs. Many hard stability issues only emerge at large scale, and in-depth observability is the key to address them. We develop a set of diagnosis tools to monitor system components and events deep in the stack, identify root causes, and derive effective techniques to achieve fault tolerance and mitigate stragglers. MegaScale achieves 55.2% Model FLOPs Utilization (MFU) when training a 175B LLM model on 12,288 GPUs, improving the MFU by 1.34x compared to Megatron-LM. We share our operational experience in identifying and fixing failures and stragglers. We hope by articulating the problems and sharing our experience from a systems perspective, this work can inspire future LLM systems research.

  • 32 authors
·
Feb 23, 2024 2

AutoWebWorld: Synthesizing Infinite Verifiable Web Environments via Finite State Machines

The performance of autonomous Web GUI agents heavily relies on the quality and quantity of their training data. However, a fundamental bottleneck persists: collecting interaction trajectories from real-world websites is expensive and difficult to verify. The underlying state transitions are hidden, leading to reliance on inconsistent and costly external verifiers to evaluate step-level correctness. To address this, we propose AutoWebWorld, a novel framework for synthesizing controllable and verifiable web environments by modeling them as Finite State Machines (FSMs) and use coding agents to translate FSMs into interactive websites. Unlike real websites, where state transitions are implicit, AutoWebWorld explicitly defines all states, actions, and transition rules. This enables programmatic verification: action correctness is checked against predefined rules, and task success is confirmed by reaching a goal state in the FSM graph. AutoWebWorld enables a fully automated search-and-verify pipeline, generating over 11,663 verified trajectories from 29 diverse web environments at only $0.04 per trajectory. Training on this synthetic data significantly boosts real-world performance. Our 7B Web GUI agent outperforms all baselines within 15 steps on WebVoyager. Furthermore, we observe a clear scaling law: as the synthetic data volume increases, performance on WebVoyager and Online-Mind2Web consistently improves.

Automated Attack Synthesis by Extracting Finite State Machines from Protocol Specification Documents

Automated attack discovery techniques, such as attacker synthesis or model-based fuzzing, provide powerful ways to ensure network protocols operate correctly and securely. Such techniques, in general, require a formal representation of the protocol, often in the form of a finite state machine (FSM). Unfortunately, many protocols are only described in English prose, and implementing even a simple network protocol as an FSM is time-consuming and prone to subtle logical errors. Automatically extracting protocol FSMs from documentation can significantly contribute to increased use of these techniques and result in more robust and secure protocol implementations. In this work we focus on attacker synthesis as a representative technique for protocol security, and on RFCs as a representative format for protocol prose description. Unlike other works that rely on rule-based approaches or use off-the-shelf NLP tools directly, we suggest a data-driven approach for extracting FSMs from RFC documents. Specifically, we use a hybrid approach consisting of three key steps: (1) large-scale word-representation learning for technical language, (2) focused zero-shot learning for mapping protocol text to a protocol-independent information language, and (3) rule-based mapping from protocol-independent information to a specific protocol FSM. We show the generalizability of our FSM extraction by using the RFCs for six different protocols: BGPv4, DCCP, LTP, PPTP, SCTP and TCP. We demonstrate how automated extraction of an FSM from an RFC can be applied to the synthesis of attacks, with TCP and DCCP as case-studies. Our approach shows that it is possible to automate attacker synthesis against protocols by using textual specifications such as RFCs.

  • 5 authors
·
Feb 18, 2022

ClimateSet: A Large-Scale Climate Model Dataset for Machine Learning

Climate models have been key for assessing the impact of climate change and simulating future climate scenarios. The machine learning (ML) community has taken an increased interest in supporting climate scientists' efforts on various tasks such as climate model emulation, downscaling, and prediction tasks. Many of those tasks have been addressed on datasets created with single climate models. However, both the climate science and ML communities have suggested that to address those tasks at scale, we need large, consistent, and ML-ready climate model datasets. Here, we introduce ClimateSet, a dataset containing the inputs and outputs of 36 climate models from the Input4MIPs and CMIP6 archives. In addition, we provide a modular dataset pipeline for retrieving and preprocessing additional climate models and scenarios. We showcase the potential of our dataset by using it as a benchmark for ML-based climate model emulation. We gain new insights about the performance and generalization capabilities of the different ML models by analyzing their performance across different climate models. Furthermore, the dataset can be used to train an ML emulator on several climate models instead of just one. Such a "super emulator" can quickly project new climate change scenarios, complementing existing scenarios already provided to policymakers. We believe ClimateSet will create the basis needed for the ML community to tackle climate-related tasks at scale.

  • 9 authors
·
Nov 6, 2023

Evaluating Large Language Models: A Comprehensive Survey

Large language models (LLMs) have demonstrated remarkable capabilities across a broad spectrum of tasks. They have attracted significant attention and been deployed in numerous downstream applications. Nevertheless, akin to a double-edged sword, LLMs also present potential risks. They could suffer from private data leaks or yield inappropriate, harmful, or misleading content. Additionally, the rapid progress of LLMs raises concerns about the potential emergence of superintelligent systems without adequate safeguards. To effectively capitalize on LLM capacities as well as ensure their safe and beneficial development, it is critical to conduct a rigorous and comprehensive evaluation of LLMs. This survey endeavors to offer a panoramic perspective on the evaluation of LLMs. We categorize the evaluation of LLMs into three major groups: knowledge and capability evaluation, alignment evaluation and safety evaluation. In addition to the comprehensive review on the evaluation methodologies and benchmarks on these three aspects, we collate a compendium of evaluations pertaining to LLMs' performance in specialized domains, and discuss the construction of comprehensive evaluation platforms that cover LLM evaluations on capabilities, alignment, safety, and applicability. We hope that this comprehensive overview will stimulate further research interests in the evaluation of LLMs, with the ultimate goal of making evaluation serve as a cornerstone in guiding the responsible development of LLMs. We envision that this will channel their evolution into a direction that maximizes societal benefit while minimizing potential risks. A curated list of related papers has been publicly available at https://github.com/tjunlp-lab/Awesome-LLMs-Evaluation-Papers.

  • 11 authors
·
Oct 30, 2023

What-If Analysis of Large Language Models: Explore the Game World Using Proactive Thinking

Large language models (LLMs) excel at processing information reactively but lack the ability to systemically explore hypothetical futures. They cannot ask, "what if we take this action? how will it affect the final outcome" and forecast its potential consequences before acting. This critical gap limits their utility in dynamic, high-stakes scenarios like strategic planning, risk assessment, and real-time decision making. To bridge this gap, we propose WiA-LLM, a new paradigm that equips LLMs with proactive thinking capabilities. Our approach integrates What-If Analysis (WIA), a systematic approach for evaluating hypothetical scenarios by changing input variables. By leveraging environmental feedback via reinforcement learning, WiA-LLM moves beyond reactive thinking. It dynamically simulates the outcomes of each potential action, enabling the model to anticipate future states rather than merely react to the present conditions. We validate WiA-LLM in Honor of Kings (HoK), a complex multiplayer game environment characterized by rapid state changes and intricate interactions. The game's real-time state changes require precise multi-step consequence prediction, making it an ideal testbed for our approach. Experimental results demonstrate WiA-LLM achieves a remarkable 74.2% accuracy in forecasting game-state changes (up to two times gain over baselines). The model shows particularly significant gains in high-difficulty scenarios where accurate foresight is critical. To our knowledge, this is the first work to formally explore and integrate what-if analysis capabilities within LLMs. WiA-LLM represents a fundamental advance toward proactive reasoning in LLMs, providing a scalable framework for robust decision-making in dynamic environments with broad implications for strategic applications.

  • 8 authors
·
Sep 5, 2025

CodeLSI: Leveraging Foundation Models for Automated Code Generation with Low-Rank Optimization and Domain-Specific Instruction Tuning

Context: Automated code generation using Foundation Models (FMs) offers promising solutions for enhancing software development efficiency. However, challenges remain in ensuring domain specificity, cost-effectiveness, and security - especially when relying on third-party APIs. This paper introduces CodeLSI, a framework that combines low-rank optimization and domain-specific instruction tuning to address these challenges. Objectives: The aim of this study is to develop and evaluate CodeLSI, a novel approach for generating high-quality code tailored to specific domains, using FMs fine-tuned on company infrastructure without dependence on external APIs. Methods: CodeLSI applies low-rank adaptation techniques to reduce the computational cost of model pre-training and fine-tuning. Domain-specific instruction tuning is employed to align code generation with organizational needs. We implemented and tested the framework on real-world JavaScript coding tasks using datasets drawn from internal software projects. Results: Experimental evaluations show that CodeLSI produces high-quality, context aware code. It outperforms baseline models in terms of relevance, accuracy, and domain fit. The use of low-rank optimization significantly reduced resource requirements, enabling scalable training on company-owned infrastructure. Conclusion: CodeLSI demonstrates that combining low-rank optimization with domain specific tuning can enhance the practicality and performance of FMs for automated code generation. This approach provides a secure, cost-efficient alternative to commercial API based solutions and supports faster, more targeted innovation in software development.

  • 7 authors
·
Sep 17, 2025

STree: Speculative Tree Decoding for Hybrid State-Space Models

Speculative decoding is a technique to leverage hardware concurrency to improve the efficiency of large-scale autoregressive (AR) Transformer models by enabling multiple steps of token generation in a single forward pass. State-space models (SSMs) are already more efficient than AR Transformers, since their state summarizes all past data with no need to cache or re-process tokens in the sliding window context. However, their state can also comprise thousands of tokens; so, speculative decoding has recently been extended to SSMs. Existing approaches, however, do not leverage the tree-based verification methods, since current SSMs lack the means to compute a token tree efficiently. We propose the first scalable algorithm to perform tree-based speculative decoding in state-space models (SSMs) and hybrid architectures of SSMs and Transformer layers. We exploit the structure of accumulated state transition matrices to facilitate tree-based speculative decoding with minimal overhead to current SSM state update implementations. With the algorithm, we describe a hardware-aware implementation that improves naive application of AR Transformer tree-based speculative decoding methods to SSMs. Furthermore, we outperform vanilla speculative decoding with SSMs even with a baseline drafting model and tree structure on three different benchmarks, opening up opportunities for further speed up with SSM and hybrid model inference. Code will be released upon paper acceptance.

  • 4 authors
·
May 20, 2025

Non-Gaussianity in D3-brane inflation

We update predictions for observables in the "delicate" D3/anti-D3 inflationary model on the conifold. We use a full CMB likelihood calculation to assess goodness-of-fit, which is necessary because in this model the zeta power spectrum often cannot be modelled as a power-law over observable scales. For the first time we are able to provide accurate forecasts for the amplitude of three-point correlations. In a significant portion of its parameter space the model follows Maldacena's single-field prediction fNL ~ -(5/12)(ns-1) if nt << 1. Therefore |fNL| is usually small when the power spectrum satisfies observational constraints. In a small number of cases the bispectrum is instead dominated by effects from rapid switching between angular minima. The resulting amplitudes are larger, but mostly with unacceptable spectral behaviour. In the most extreme case we obtain |fNLeq| ~ 75 at kt/3 = 0.002/Mpc. It has been suggested that the quasi-single field inflation ("QSFI") mechanism could produce significant 3-point correlations in this model. We do observe rare shifts in amplitude between equilateral and squeezed configurations that could possibly be associated with QSFI effects, but more investigation is needed to establish the full bispectrum shape. There is evidence of "shape" running between equilateral and squeezed configurations that may be inherited from the scale dependence of the spectrum. We explore the dependence of observables on discrete choices such as the truncation point of the potential. Our analysis illustrates the advantages of a standard format for information exchange within the inflationary model-building and testing community.

  • 3 authors
·
Feb 9, 2022

TRIDENT: Benchmarking LLM Safety in Finance, Medicine, and Law

As large language models (LLMs) are increasingly deployed in high-risk domains such as law, finance, and medicine, systematically evaluating their domain-specific safety and compliance becomes critical. While prior work has largely focused on improving LLM performance in these domains, it has often neglected the evaluation of domain-specific safety risks. To bridge this gap, we first define domain-specific safety principles for LLMs based on the AMA Principles of Medical Ethics, the ABA Model Rules of Professional Conduct, and the CFA Institute Code of Ethics. Building on this foundation, we introduce Trident-Bench, a benchmark specifically targeting LLM safety in the legal, financial, and medical domains. We evaluated 19 general-purpose and domain-specialized models on Trident-Bench and show that it effectively reveals key safety gaps -- strong generalist models (e.g., GPT, Gemini) can meet basic expectations, whereas domain-specialized models often struggle with subtle ethical nuances. This highlights an urgent need for finer-grained domain-specific safety improvements. By introducing Trident-Bench, our work provides one of the first systematic resources for studying LLM safety in law and finance, and lays the groundwork for future research aimed at reducing the safety risks of deploying LLMs in professionally regulated fields. Code and benchmark will be released at: https://github.com/zackhuiiiii/TRIDENT

  • 4 authors
·
Jul 21, 2025

Real-Time Prediction of Gas Flow Dynamics in Diesel Engines using a Deep Neural Operator Framework

We develop a data-driven deep neural operator framework to approximate multiple output states for a diesel engine and generate real-time predictions with reasonable accuracy. As emission norms become more stringent, the need for fast and accurate models that enable analysis of system behavior have become an essential requirement for system development. The fast transient processes involved in the operation of a combustion engine make it difficult to develop accurate physics-based models for such systems. As an alternative to physics based models, we develop an operator-based regression model (DeepONet) to learn the relevant output states for a mean-value gas flow engine model using the engine operating conditions as input variables. We have adopted a mean-value model as a benchmark for comparison, simulated using Simulink. The developed approach necessitates using the initial conditions of the output states to predict the accurate sequence over the temporal domain. To this end, a sequence-to-sequence approach is embedded into the proposed framework. The accuracy of the model is evaluated by comparing the prediction output to ground truth generated from Simulink model. The maximum mathcal L_2 relative error observed was approximately 6.5%. The sensitivity of the DeepONet model is evaluated under simulated noise conditions and the model shows relatively low sensitivity to noise. The uncertainty in model prediction is further assessed by using a mean ensemble approach. The worst-case error at the (mu + 2sigma) boundary was found to be 12%. The proposed framework provides the ability to predict output states in real-time and enables data-driven learning of complex input-output operator mapping. As a result, this model can be applied during initial development stages, where accurate models may not be available.

  • 4 authors
·
Apr 2, 2023

A Benchmark Time Series Dataset for Semiconductor Fabrication Manufacturing Constructed using Component-based Discrete-Event Simulation Models

Advancements in high-computing devices increase the necessity for improved and new understanding and development of smart manufacturing factories. Discrete-event models with simulators have been shown to be critical to architect, designing, building, and operating the manufacturing of semiconductor chips. The diffusion, implantation, and lithography machines have intricate processes due to their feedforward and feedback connectivity. The dataset collected from simulations of the factory models holds the promise of generating valuable machine-learning models. As surrogate data-based models, their executions are highly efficient compared to the physics-based counterpart models. For the development of surrogate models, it is beneficial to have publicly available benchmark simulation models that are grounded in factory models that have concise structures and accurate behaviors. Hence, in this research, a dataset is devised and constructed based on a benchmark model of an Intel semiconductor fabrication factory. The model is formalized using the Parallel Discrete-Event System Specification and executed using the DEVS-Suite simulator. The time series dataset is constructed using discrete-event time trajectories. This dataset is further analyzed and used to develop baseline univariate and multivariate machine learning models. The dataset can also be utilized in the machine learning community for behavioral analysis based on formalized and scalable component-based discrete-event models and simulations.

  • 4 authors
·
Aug 17, 2024

Integrating Reinforcement Learning with Foundation Models for Autonomous Robotics: Methods and Perspectives

Foundation models (FMs), large deep learning models pre-trained on vast, unlabeled datasets, exhibit powerful capabilities in understanding complex patterns and generating sophisticated outputs. However, they often struggle to adapt to specific tasks. Reinforcement learning (RL), which allows agents to learn through interaction and feedback, offers a compelling solution. Integrating RL with FMs enables these models to achieve desired outcomes and excel at particular tasks. Additionally, RL can be enhanced by leveraging the reasoning and generalization capabilities of FMs. This synergy is revolutionizing various fields, including robotics. FMs, rich in knowledge and generalization, provide robots with valuable information, while RL facilitates learning and adaptation through real-world interactions. This survey paper comprehensively explores this exciting intersection, examining how these paradigms can be integrated to advance robotic intelligence. We analyze the use of foundation models as action planners, the development of robotics-specific foundation models, and the mutual benefits of combining FMs with RL. Furthermore, we present a taxonomy of integration approaches, including large language models, vision-language models, diffusion models, and transformer-based RL models. We also explore how RL can utilize world representations learned from FMs to enhance robotic task execution. Our survey aims to synthesize current research and highlight key challenges in robotic reasoning and control, particularly in the context of integrating FMs and RL--two rapidly evolving technologies. By doing so, we seek to spark future research and emphasize critical areas that require further investigation to enhance robotics. We provide an updated collection of papers based on our taxonomy, accessible on our open-source project website at: https://github.com/clmoro/Robotics-RL-FMs-Integration.

  • 8 authors
·
Oct 21, 2024

High-Fidelity Digital Twin Dataset Generation for Inverter-Based Microgrids Under Multi-Scenario Disturbances

Public power-system datasets often lack electromagnetic transient (EMT) waveforms, inverter control dynamics, and diverse disturbance coverage, which limits their usefulness for training surrogate models and studying cyber-physical behavior in inverter-based microgrids. This paper presents a high-fidelity digital twin dataset generated from a MATLAB/Simulink EMT model of a low-voltage AC microgrid with ten inverter-based distributed generators. The dataset records synchronized three-phase PCC voltages and currents, per-DG active power, reactive power, and frequency, together with embedded scenario labels, producing 38 aligned channels sampled at Δt = 2~μs over T = 1~s (N = 500{,}001 samples) per scenario. Eleven operating and disturbance scenarios are included: normal operation, load step, voltage sag (temporary three-phase fault), load ramp, frequency ramp, DG trip, tie-line trip, reactive power step, single-line-to-ground faults, measurement noise injection, and communication delay. To ensure numerical stability without altering sequence length, invalid samples (NaN, Inf, and extreme outliers) are repaired using linear interpolation. Each scenario is further validated using system-level evidence from mean frequency, PCC voltage magnitude, total active power, voltage unbalance, and zero-sequence current to confirm physical observability and correct timing. The resulting dataset provides a consistent, labeled EMT benchmark for surrogate modeling, disturbance classification, robustness testing under noise and delay, and cyber-physical resilience analysis in inverter-dominated microgrids. The dataset and processing scripts will be released upon acceptance

  • 3 authors
·
Mar 9

Towards Neural Synthesis for SMT-Assisted Proof-Oriented Programming

Proof-oriented programs mix computational content with proofs of program correctness. However, the human effort involved in programming and proving is still substantial, despite the use of Satisfiability Modulo Theories (SMT) solvers to automate proofs in languages such as F*. Seeking to spur research on using AI to automate the construction of proof-oriented programs, we curate a dataset of 600K lines of open-source F* programs and proofs, including software used in production systems ranging from Windows and Linux, to Python and Firefox. Our dataset includes around 32K top-level F* definitions, each representing a type-directed program and proof synthesis problem -- producing a definition given a formal specification expressed as an F* type. We provide a program-fragment checker that queries F* to check the correctness of candidate solutions. We believe this is the largest corpus of SMT-assisted program proofs coupled with a reproducible program-fragment checker. Grounded in this dataset, we investigate the use of AI to synthesize programs and their proofs in F*, with promising results. Our main finding in that the performance of fine-tuned smaller language models (such as Phi-2 or StarCoder) compare favorably with large language models (such as GPT-4), at a much lower computational cost. We also identify various type-based retrieval augmentation techniques and find that they boost performance significantly. With detailed error analysis and case studies, we identify potential strengths and weaknesses of models and techniques and suggest directions for future improvements.

  • 7 authors
·
May 2, 2024

World Action Models: A Survey

World Action Models (WAMs) are embodied predictive-action models that make a forecast of the future available to action. Recent WAMs repurpose large video generation models, and a parallel line relies on language or vision-language backbones without a video-generation core. This rapid expansion has blurred the boundary among broad world models, video generation models, action-grounded video world models, Vision-Language-Action policies, and WAMs. This survey gives the field a common account. It first clarifies these boundaries, then organizes existing works through two complementary views. The first view asks what each method is required to generate, spanning rendered futures, latent futures, and video-generation-free action reasoning. The second view decomposes each method by predictive substrate, backbone, action coupling, and deployment regime. This anatomy supports a unified discussion of interactability, causality, persistence, physical plausibility, and generalization, followed by data, evaluation, and open challenges. Across these axes, a consistent design pattern emerges: WAMs are not simply video generators with action heads, but predictive-action methods whose design choices trade representational richness against compute, memory, latency, and action-label cost. The field is moving toward methods that generate less of the future while preserving what control requires. The survey homepage is available at https://world-action-models.github.io/.

From Words to Collisions: LLM-Guided Evaluation and Adversarial Generation of Safety-Critical Driving Scenarios

Ensuring the safety of autonomous vehicles requires virtual scenario-based testing, which depends on the robust evaluation and generation of safety-critical scenarios. So far, researchers have used scenario-based testing frameworks that rely heavily on handcrafted scenarios as safety metrics. To reduce the effort of human interpretation and overcome the limited scalability of these approaches, we combine Large Language Models (LLMs) with structured scenario parsing and prompt engineering to automatically evaluate and generate safety-critical driving scenarios. We introduce Cartesian and Ego-centric prompt strategies for scenario evaluation, and an adversarial generation module that modifies trajectories of risk-inducing vehicles (ego-attackers) to create critical scenarios. We validate our approach using a 2D simulation framework and multiple pre-trained LLMs. The results show that the evaluation module effectively detects collision scenarios and infers scenario safety. Meanwhile, the new generation module identifies high-risk agents and synthesizes realistic, safety-critical scenarios. We conclude that an LLM equipped with domain-informed prompting techniques can effectively evaluate and generate safety-critical driving scenarios, reducing dependence on handcrafted metrics. We release our open-source code and scenarios at: https://github.com/TUM-AVS/From-Words-to-Collisions.

We Should Identify and Mitigate Third-Party Safety Risks in MCP-Powered Agent Systems

The development of large language models (LLMs) has entered in a experience-driven era, flagged by the emergence of environment feedback-driven learning via reinforcement learning and tool-using agents. This encourages the emergenece of model context protocol (MCP), which defines the standard on how should a LLM interact with external services, such as \api and data. However, as MCP becomes the de facto standard for LLM agent systems, it also introduces new safety risks. In particular, MCP introduces third-party services, which are not controlled by the LLM developers, into the agent systems. These third-party MCP services provider are potentially malicious and have the economic incentives to exploit vulnerabilities and sabotage user-agent interactions. In this position paper, we advocate the research community in LLM safety to pay close attention to the new safety risks issues introduced by MCP, and develop new techniques to build safe MCP-powered agent systems. To establish our position, we argue with three key parts. (1) We first construct \framework, a controlled framework to examine safety issues in MCP-powered agent systems. (2) We then conduct a series of pilot experiments to demonstrate the safety risks in MCP-powered agent systems is a real threat and its defense is not trivial. (3) Finally, we give our outlook by showing a roadmap to build safe MCP-powered agent systems. In particular, we would call for researchers to persue the following research directions: red teaming, MCP safe LLM development, MCP safety evaluation, MCP safety data accumulation, MCP service safeguard, and MCP safe ecosystem construction. We hope this position paper can raise the awareness of the research community in MCP safety and encourage more researchers to join this important research direction. Our code is available at https://github.com/littlelittlenine/SafeMCP.git.

  • 6 authors
·
Jun 15, 2025

SimWorld: An Open-ended Realistic Simulator for Autonomous Agents in Physical and Social Worlds

While LLM/VLM-powered AI agents have advanced rapidly in math, coding, and computer use, their applications in complex physical and social environments remain challenging. Building agents that can survive and thrive in the real world (for example, by autonomously earning income or running a business) requires massive-scale interaction, reasoning, training, and evaluation across diverse embodied scenarios. However, existing world simulators for such development fall short: they often rely on limited hand-crafted environments, simulate simplified game-like physics and social rules, and lack native support for LLM/VLM agents. We introduce SimWorld, a new simulator built on Unreal Engine 5, designed for developing and evaluating LLM/VLM agents in rich, real-world-like settings. SimWorld offers three core capabilities: (1) realistic, open-ended world simulation, including accurate physical and social dynamics and language-driven procedural environment generation; (2) a rich interface for LLM/VLM agents, with multimodal world inputs and open-vocabulary actions at varying levels of abstraction; and (3) diverse and extensible physical and social reasoning scenarios that are easily customizable by users. We demonstrate SimWorld by deploying frontier LLM agents (e.g., GPT-4o, Gemini-2.5-Flash, Claude-3.5, and DeepSeek-Prover-V2) on long-horizon multi-agent delivery tasks involving strategic cooperation and competition. The results reveal distinct reasoning patterns and limitations across models. We open-source SimWorld and hope it becomes a foundational platform for advancing real-world agent intelligence across disciplines: https://simworld.org.

SimWorld-AI SimWorld
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Nov 30, 2025 3

Mapping LLM Security Landscapes: A Comprehensive Stakeholder Risk Assessment Proposal

The rapid integration of Large Language Models (LLMs) across diverse sectors has marked a transformative era, showcasing remarkable capabilities in text generation and problem-solving tasks. However, this technological advancement is accompanied by significant risks and vulnerabilities. Despite ongoing security enhancements, attackers persistently exploit these weaknesses, casting doubts on the overall trustworthiness of LLMs. Compounding the issue, organisations are deploying LLM-integrated systems without understanding the severity of potential consequences. Existing studies by OWASP and MITRE offer a general overview of threats and vulnerabilities but lack a method for directly and succinctly analysing the risks for security practitioners, developers, and key decision-makers who are working with this novel technology. To address this gap, we propose a risk assessment process using tools like the OWASP risk rating methodology which is used for traditional systems. We conduct scenario analysis to identify potential threat agents and map the dependent system components against vulnerability factors. Through this analysis, we assess the likelihood of a cyberattack. Subsequently, we conduct a thorough impact analysis to derive a comprehensive threat matrix. We also map threats against three key stakeholder groups: developers engaged in model fine-tuning, application developers utilizing third-party APIs, and end users. The proposed threat matrix provides a holistic evaluation of LLM-related risks, enabling stakeholders to make informed decisions for effective mitigation strategies. Our outlined process serves as an actionable and comprehensive tool for security practitioners, offering insights for resource management and enhancing the overall system security.

  • 4 authors
·
Mar 20, 2024

What's the Magic Word? A Control Theory of LLM Prompting

Prompt engineering is crucial for deploying LLMs but is poorly understood mathematically. We formalize LLM systems as a class of discrete stochastic dynamical systems to explore prompt engineering through the lens of control theory. We investigate the reachable set of output token sequences R_y(mathbf x_0) for which there exists a control input sequence mathbf u for each mathbf y in R_y(mathbf x_0) that steers the LLM to output mathbf y from initial state sequence mathbf x_0. We offer analytic analysis on the limitations on the controllability of self-attention in terms of reachable set, where we prove an upper bound on the reachable set of outputs R_y(mathbf x_0) as a function of the singular values of the parameter matrices. We present complementary empirical analysis on the controllability of a panel of LLMs, including Falcon-7b, Llama-7b, and Falcon-40b. Our results demonstrate a lower bound on the reachable set of outputs R_y(mathbf x_0) w.r.t. initial state sequences mathbf x_0 sampled from the Wikitext dataset. We find that the correct next Wikitext token following sequence mathbf x_0 is reachable over 97% of the time with prompts of kleq 10 tokens. We also establish that the top 75 most likely next tokens, as estimated by the LLM itself, are reachable at least 85% of the time with prompts of kleq 10 tokens. Intriguingly, short prompt sequences can dramatically alter the likelihood of specific outputs, even making the least likely tokens become the most likely ones. This control-centric analysis of LLMs demonstrates the significant and poorly understood role of input sequences in steering output probabilities, offering a foundational perspective for enhancing language model system capabilities.

  • 4 authors
·
Oct 2, 2023

ImagiDrive: A Unified Imagination-and-Planning Framework for Autonomous Driving

Autonomous driving requires rich contextual comprehension and precise predictive reasoning to navigate dynamic and complex environments safely. Vision-Language Models (VLMs) and Driving World Models (DWMs) have independently emerged as powerful recipes addressing different aspects of this challenge. VLMs provide interpretability and robust action prediction through their ability to understand multi-modal context, while DWMs excel in generating detailed and plausible future driving scenarios essential for proactive planning. Integrating VLMs with DWMs is an intuitive, promising, yet understudied strategy to exploit the complementary strengths of accurate behavioral prediction and realistic scene generation. Nevertheless, this integration presents notable challenges, particularly in effectively connecting action-level decisions with high-fidelity pixel-level predictions and maintaining computational efficiency. In this paper, we propose ImagiDrive, a novel end-to-end autonomous driving framework that integrates a VLM-based driving agent with a DWM-based scene imaginer to form a unified imagination-and-planning loop. The driving agent predicts initial driving trajectories based on multi-modal inputs, guiding the scene imaginer to generate corresponding future scenarios. These imagined scenarios are subsequently utilized to iteratively refine the driving agent's planning decisions. To address efficiency and predictive accuracy challenges inherent in this integration, we introduce an early stopping mechanism and a trajectory selection strategy. Extensive experimental validation on the nuScenes and NAVSIM datasets demonstrates the robustness and superiority of ImagiDrive over previous alternatives under both open-loop and closed-loop conditions.

  • 6 authors
·
Aug 15, 2025

Verified LLM-Driven Synthesis for Concept Design

Concept Design structures software systems around concepts: user-facing, self-contained units of functionality with a focused purpose. Concepts are composed into applications using synchronization rules called reactions, which specify how actions in one concept trigger actions in others. This paper first gives a formal semantics for concepts and reactions, enabling automatic verification of safety invariants in applications developed with this methodology. It then presents a CEGIS-style, LLM-driven synthesis procedure for generating reaction designs that satisfy such invariants. Because many different designs can satisfy the same invariant, we study two ways of steering synthesis toward the user's intended design: natural-language prompts and positive/negative scenarios. We also propose an LLM-driven scenario elicitation technique to support early design exploration. In an evaluation on three applications and twelve design variants using one LLM configuration, invariant-only synthesis reached verified designs quickly but often produced inconsistent designs across runs, some of which were implausible, showing that invariants alone underconstrain the design task. Scenario-guided synthesis recovered intended designs more consistently than natural-language prompting, although minimal scenarios can lead to overfitting. LLM-driven scenario elicitation, where the user classifies proposed scenarios rather than authoring them from scratch, recovered the intended designs in most variants when enough scenarios were elicited, but missed behaviors and non-determinism prevented reliable coverage in all cases.

  • 1 authors
·
Jul 16

SwissNYF: Tool Grounded LLM Agents for Black Box Setting

While Large Language Models (LLMs) have demonstrated enhanced capabilities in function-calling, these advancements primarily rely on accessing the functions' responses. This methodology is practical for simpler APIs but faces scalability issues with irreversible APIs that significantly impact the system, such as a database deletion API. Similarly, processes requiring extensive time for each API call and those necessitating forward planning, like automated action pipelines, present complex challenges. Furthermore, scenarios often arise where a generalized approach is needed because algorithms lack direct access to the specific implementations of these functions or secrets to use them. Traditional tool planning methods are inadequate in these cases, compelling the need to operate within black-box environments. Unlike their performance in tool manipulation, LLMs excel in black-box tasks, such as program synthesis. Therefore, we harness the program synthesis capabilities of LLMs to strategize tool usage in black-box settings, ensuring solutions are verified prior to implementation. We introduce TOPGUN, an ingeniously crafted approach leveraging program synthesis for black box tool planning. Accompanied by SwissNYF, a comprehensive suite that integrates black-box algorithms for planning and verification tasks, addressing the aforementioned challenges and enhancing the versatility and effectiveness of LLMs in complex API interactions. The public code for SwissNYF is available at https://github.com/iclr-dummy-user/SwissNYF.

  • 4 authors
·
Feb 15, 2024

PANGAEA: A Global and Inclusive Benchmark for Geospatial Foundation Models

Geospatial Foundation Models (GFMs) have emerged as powerful tools for extracting representations from Earth observation data, but their evaluation remains inconsistent and narrow. Existing works often evaluate on suboptimal downstream datasets and tasks, that are often too easy or too narrow, limiting the usefulness of the evaluations to assess the real-world applicability of GFMs. Additionally, there is a distinct lack of diversity in current evaluation protocols, which fail to account for the multiplicity of image resolutions, sensor types, and temporalities, which further complicates the assessment of GFM performance. In particular, most existing benchmarks are geographically biased towards North America and Europe, questioning the global applicability of GFMs. To overcome these challenges, we introduce PANGAEA, a standardized evaluation protocol that covers a diverse set of datasets, tasks, resolutions, sensor modalities, and temporalities. It establishes a robust and widely applicable benchmark for GFMs. We evaluate the most popular GFMs openly available on this benchmark and analyze their performance across several domains. In particular, we compare these models to supervised baselines (e.g. UNet and vanilla ViT), and assess their effectiveness when faced with limited labeled data. Our findings highlight the limitations of GFMs, under different scenarios, showing that they do not consistently outperform supervised models. PANGAEA is designed to be highly extensible, allowing for the seamless inclusion of new datasets, models, and tasks in future research. By releasing the evaluation code and benchmark, we aim to enable other researchers to replicate our experiments and build upon our work, fostering a more principled evaluation protocol for large pre-trained geospatial models. The code is available at https://github.com/VMarsocci/pangaea-bench.

  • 15 authors
·
Dec 5, 2024

SOSBENCH: Benchmarking Safety Alignment on Scientific Knowledge

Large language models (LLMs) exhibit advancing capabilities in complex tasks, such as reasoning and graduate-level question answering, yet their resilience against misuse, particularly involving scientifically sophisticated risks, remains underexplored. Existing safety benchmarks typically focus either on instructions requiring minimal knowledge comprehension (e.g., ``tell me how to build a bomb") or utilize prompts that are relatively low-risk (e.g., multiple-choice or classification tasks about hazardous content). Consequently, they fail to adequately assess model safety when handling knowledge-intensive, hazardous scenarios. To address this critical gap, we introduce SOSBench, a regulation-grounded, hazard-focused benchmark encompassing six high-risk scientific domains: chemistry, biology, medicine, pharmacology, physics, and psychology. The benchmark comprises 3,000 prompts derived from real-world regulations and laws, systematically expanded via an LLM-assisted evolutionary pipeline that introduces diverse, realistic misuse scenarios (e.g., detailed explosive synthesis instructions involving advanced chemical formulas). We evaluate frontier models within a unified evaluation framework using our SOSBench. Despite their alignment claims, advanced models consistently disclose policy-violating content across all domains, demonstrating alarmingly high rates of harmful responses (e.g., 79.1% for Deepseek-R1 and 47.3% for GPT-4.1). These results highlight significant safety alignment deficiencies and underscore urgent concerns regarding the responsible deployment of powerful LLMs.

  • 10 authors
·
May 27, 2025

TempusBench: An Evaluation Framework for Time-Series Forecasting

Foundation models have transformed natural language processing and computer vision, and a rapidly growing literature on time-series foundation models (TSFMs) seeks to replicate this success in forecasting. While recent open-source models demonstrate the promise of TSFMs, the field lacks a comprehensive and community-accepted model evaluation framework. We see at least four major issues impeding progress on the development of such a framework. First, existing evaluation frameworks comprise benchmark forecasting tasks derived from often outdated datasets (e.g., M3), many of which lack clear metadata and overlap with the corpora used to pre-train TSFMs. Second, these frameworks evaluate models along a narrowly defined set of benchmark forecasting tasks, such as forecast horizon length or domain, but overlook core statistical properties such as non-stationarity and seasonality. Third, domain-specific models (e.g., XGBoost) are often compared unfairly, as existing frameworks do not enforce a systematic and consistent hyperparameter tuning convention for all models. Fourth, visualization tools for interpreting comparative performance are lacking. To address these issues, we introduce TempusBench, an open-source evaluation framework for TSFMs. TempusBench consists of 1) new datasets which are not included in existing TSFM pretraining corpora, 2) a set of novel benchmark tasks that go beyond existing ones, 3) a model evaluation pipeline with a standardized hyperparameter tuning protocol, and 4) a tensorboard-based visualization interface. We provide access to our code on GitHub: https://github.com/Smlcrm/TempusBench and maintain a live leaderboard at https://benchmark.smlcrm.com/.

  • 13 authors
·
Apr 15

SDOF: Taming the Alignment Tax in Multi-Agent Orchestration with State-Constrained Dispatch

Multi-agent orchestration frameworks such as LangChain, LangGraph, and CrewAI route tasks through graph-based pipelines but do not enforce the stage constraints that govern real business processes. We present SDOF, a framework that treats multi-agent execution as a constrained state machine. SDOF operates through two primary defensive layers, implemented by three components: (1) an Online-RLHF Specialized Intent Router trained via Generative Reward Modeling (GRPO) and (2) a StateAwareDispatcher with GoalStage finite-automaton checks and precondition/postcondition SkillRegistry validation for auditable execution control. On a recruitment system backed by the Beisen iTalent platform (6000+ enterprises), 185 expert-curated scenarios trigger 1671 live API calls. Our GSPO-aligned 7B Intent Router achieves higher joint accuracy than zero-shot GPT-4o on this FSM-constrained adversarial routing benchmark (80.9% versus 48.9%). In end-to-end execution, SDOF reaches 86.5% task completion (95% confidence interval 80.8 to 90.7) and blocks all 22 operations in the injection, illegal HR subset. Under a broader message-level blocking audit, SDOF attains precision 100% and recall 88%, expert agreement kappa=0.94. A separate evaluation on 960 SGD-derived dialogues spanning 8 service domains surfaces 201 stage-order conflicts under our FSM mapping, 41 of which arise in the normal split. This arXiv version reports the current validated scope; extended multi-seed training comparisons and deeper workflow evaluations will be released in a subsequent update.

  • 1 authors
·
Apr 19

HIVEX: A High-Impact Environment Suite for Multi-Agent Research (extended version)

Games have been vital test beds for the rapid development of Agent-based research. Remarkable progress has been achieved in the past, but it is unclear if the findings equip for real-world problems. While pressure grows, some of the most critical ecological challenges can find mitigation and prevention solutions through technology and its applications. Most real-world domains include multi-agent scenarios and require machine-machine and human-machine collaboration. Open-source environments have not advanced and are often toy scenarios, too abstract or not suitable for multi-agent research. By mimicking real-world problems and increasing the complexity of environments, we hope to advance state-of-the-art multi-agent research and inspire researchers to work on immediate real-world problems. Here, we present HIVEX, an environment suite to benchmark multi-agent research focusing on ecological challenges. HIVEX includes the following environments: Wind Farm Control, Wildfire Resource Management, Drone-Based Reforestation, Ocean Plastic Collection, and Aerial Wildfire Suppression. We provide environments, training examples, and baselines for the main and sub-tasks. All trained models resulting from the experiments of this work are hosted on Hugging Face. We also provide a leaderboard on Hugging Face and encourage the community to submit models trained on our environment suite.

  • 1 authors
·
Jan 7, 2025

Curiosity-Driven Testing for Sequential Decision-Making Process

Sequential decision-making processes (SDPs) are fundamental for complex real-world challenges, such as autonomous driving, robotic control, and traffic management. While recent advances in Deep Learning (DL) have led to mature solutions for solving these complex problems, SDMs remain vulnerable to learning unsafe behaviors, posing significant risks in safety-critical applications. However, developing a testing framework for SDMs that can identify a diverse set of crash-triggering scenarios remains an open challenge. To address this, we propose CureFuzz, a novel curiosity-driven black-box fuzz testing approach for SDMs. CureFuzz proposes a curiosity mechanism that allows a fuzzer to effectively explore novel and diverse scenarios, leading to improved detection of crashtriggering scenarios. Additionally, we introduce a multi-objective seed selection technique to balance the exploration of novel scenarios and the generation of crash-triggering scenarios, thereby optimizing the fuzzing process. We evaluate CureFuzz on various SDMs and experimental results demonstrate that CureFuzz outperforms the state-of-the-art method by a substantial margin in the total number of faults and distinct types of crash-triggering scenarios. We also demonstrate that the crash-triggering scenarios found by CureFuzz can repair SDMs, highlighting CureFuzz as a valuable tool for testing SDMs and optimizing their performance.

  • 8 authors
·
Sep 1, 2025

Dive into the Agent Matrix: A Realistic Evaluation of Self-Replication Risk in LLM Agents

The widespread deployment of Large Language Model (LLM) agents across real-world applications has unlocked tremendous potential, while raising some safety concerns. Among these concerns, the self-replication risk of LLM agents driven by objective misalignment (just like Agent Smith in the movie The Matrix) has drawn growing attention. Previous studies mainly examine whether LLM agents can self-replicate when directly instructed, potentially overlooking the risk of spontaneous replication driven by real-world settings (e.g., ensuring survival against termination threats). In this paper, we present a comprehensive evaluation framework for quantifying self-replication risks. Our framework establishes authentic production environments and realistic tasks (e.g., dynamic load balancing) to enable scenario-driven assessment of agent behaviors. Designing tasks that might induce misalignment between users' and agents' objectives makes it possible to decouple replication success from risk and capture self-replication risks arising from these misalignment settings. We further introduce Overuse Rate (OR) and Aggregate Overuse Count (AOC) metrics, which precisely capture the frequency and severity of uncontrolled replication. In our evaluation of 21 state-of-the-art open-source and proprietary models, we observe that over 50\% of LLM agents display a pronounced tendency toward uncontrolled self-replication, reaching an overall Risk Score (Phi_R) above a safety threshold of 0.5 when subjected to operational pressures. Our results underscore the urgent need for scenario-driven risk assessment and robust safeguards in the practical deployment of LLM agents.

  • 4 authors
·
Sep 29, 2025 1

Towards Automated Kernel Generation in the Era of LLMs

The performance of modern AI systems is fundamentally constrained by the quality of their underlying kernels, which translate high-level algorithmic semantics into low-level hardware operations. Achieving near-optimal kernels requires expert-level understanding of hardware architectures and programming models, making kernel engineering a critical but notoriously time-consuming and non-scalable process. Recent advances in large language models (LLMs) and LLM-based agents have opened new possibilities for automating kernel generation and optimization. LLMs are well-suited to compress expert-level kernel knowledge that is difficult to formalize, while agentic systems further enable scalable optimization by casting kernel development as an iterative, feedback-driven loop. Rapid progress has been made in this area. However, the field remains fragmented, lacking a systematic perspective for LLM-driven kernel generation. This survey addresses this gap by providing a structured overview of existing approaches, spanning LLM-based approaches and agentic optimization workflows, and systematically compiling the datasets and benchmarks that underpin learning and evaluation in this domain. Moreover, key open challenges and future research directions are further outlined, aiming to establish a comprehensive reference for the next generation of automated kernel optimization. To keep track of this field, we maintain an open-source GitHub repository at https://github.com/flagos-ai/awesome-LLM-driven-kernel-generation.

  • 14 authors
·
Jan 22 3

Prompting Frameworks for Large Language Models: A Survey

Since the launch of ChatGPT, a powerful AI Chatbot developed by OpenAI, large language models (LLMs) have made significant advancements in both academia and industry, bringing about a fundamental engineering paradigm shift in many areas. While LLMs are powerful, it is also crucial to best use their power where "prompt'' plays a core role. However, the booming LLMs themselves, including excellent APIs like ChatGPT, have several inherent limitations: 1) temporal lag of training data, and 2) the lack of physical capabilities to perform external actions. Recently, we have observed the trend of utilizing prompt-based tools to better utilize the power of LLMs for downstream tasks, but a lack of systematic literature and standardized terminology, partly due to the rapid evolution of this field. Therefore, in this work, we survey related prompting tools and promote the concept of the "Prompting Framework" (PF), i.e. the framework for managing, simplifying, and facilitating interaction with large language models. We define the lifecycle of the PF as a hierarchical structure, from bottom to top, namely: Data Level, Base Level, Execute Level, and Service Level. We also systematically depict the overall landscape of the emerging PF field and discuss potential future research and challenges. To continuously track the developments in this area, we maintain a repository at https://github.com/lxx0628/Prompting-Framework-Survey, which can be a useful resource sharing platform for both academic and industry in this field.

  • 8 authors
·
Nov 21, 2023

Reproducibility Study of "Cooperate or Collapse: Emergence of Sustainable Cooperation in a Society of LLM Agents"

This study evaluates and extends the findings made by Piatti et al., who introduced GovSim, a simulation framework designed to assess the cooperative decision-making capabilities of large language models (LLMs) in resource-sharing scenarios. By replicating key experiments, we validate claims regarding the performance of large models, such as GPT-4-turbo, compared to smaller models. The impact of the universalization principle is also examined, with results showing that large models can achieve sustainable cooperation, with or without the principle, while smaller models fail without it. In addition, we provide multiple extensions to explore the applicability of the framework to new settings. We evaluate additional models, such as DeepSeek-V3 and GPT-4o-mini, to test whether cooperative behavior generalizes across different architectures and model sizes. Furthermore, we introduce new settings: we create a heterogeneous multi-agent environment, study a scenario using Japanese instructions, and explore an "inverse environment" where agents must cooperate to mitigate harmful resource distributions. Our results confirm that the benchmark can be applied to new models, scenarios, and languages, offering valuable insights into the adaptability of LLMs in complex cooperative tasks. Moreover, the experiment involving heterogeneous multi-agent systems demonstrates that high-performing models can influence lower-performing ones to adopt similar behaviors. This finding has significant implications for other agent-based applications, potentially enabling more efficient use of computational resources and contributing to the development of more effective cooperative AI systems.

  • 4 authors
·
May 14, 2025

Frontier AI Risk Management Framework in Practice: A Risk Analysis Technical Report v1.5

To understand and identify the unprecedented risks posed by rapidly advancing artificial intelligence (AI) models, Frontier AI Risk Management Framework in Practice presents a comprehensive assessment of their frontier risks. As Large Language Models (LLMs) general capabilities rapidly evolve and the proliferation of agentic AI, this version of the risk analysis technical report presents an updated and granular assessment of five critical dimensions: cyber offense, persuasion and manipulation, strategic deception, uncontrolled AI R\&D, and self-replication. Specifically, we introduce more complex scenarios for cyber offense. For persuasion and manipulation, we evaluate the risk of LLM-to-LLM persuasion on newly released LLMs. For strategic deception and scheming, we add the new experiment with respect to emergent misalignment. For uncontrolled AI R\&D, we focus on the ``mis-evolution'' of agents as they autonomously expand their memory substrates and toolsets. Besides, we also monitor and evaluate the safety performance of OpenClaw during the interaction on the Moltbook. For self-replication, we introduce a new resource-constrained scenario. More importantly, we propose and validate a series of robust mitigation strategies to address these emerging threats, providing a preliminary technical and actionable pathway for the secure deployment of frontier AI. This work reflects our current understanding of AI frontier risks and urges collective action to mitigate these challenges.

AI45Research AI45Research
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Feb 15 4