Early-stage engineering design involves complex, iterative reasoning, yet existing large language model (LLM) workflows struggle to maintain task continuity and generate executable models. We evaluate whether a structured multi-agent system (MAS) can more effectively manage requirements extraction, functional decomposition, and simulator code generation than a simpler two-agent system (2AS). The target application is a solar-powered water filtration system as described in a cahier des charges. We introduce the Design-State Graph (DSG), a JSON-serializable representation that bundles requirements, physical embodiments, and Python-based physics models into graph nodes. A nine-role MAS iteratively builds and refines the DSG, while the 2AS collapses the process to a Generator-Reflector loop. Both systems run a total of 60 experiments (2 LLMs - Llama 3.3 70B vs reasoning-distilled DeepSeek R1 70B x 2 agent configurations x 3 temperatures x 5 seeds). We report a JSON validity, requirement coverage, embodiment presence, code compatibility, workflow completion, runtime, and graph size. Across all runs, both MAS and 2AS maintained perfect JSON integrity and embodiment tagging. Requirement coverage remained minimal (less than 20%). Code compatibility peaked at 100% under specific 2AS settings but averaged below 50% for MAS. Only the reasoning-distilled model reliably flagged workflow completion. Powered by DeepSeek R1 70B, the MAS generated more granular DSGs (average 5-6 nodes) whereas 2AS mode-collapsed. Structured multi-agent orchestration enhanced design detail. Reasoning-distilled LLM improved completion rates, yet low requirements and fidelity gaps in coding persisted.

We present HySemRAG, a framework that combines Extract, Transform, Load (ETL) pipelines with Retrieval-Augmented Generation (RAG) to automate large-scale literature synthesis and identify methodological research gaps. The system addresses limitations in existing RAG architectures through a multi-layered approach: hybrid retrieval combining semantic search, keyword filtering, and knowledge graph traversal; an agentic self-correction framework with iterative quality assurance; and post-hoc citation verification ensuring complete traceability. Our implementation processes scholarly literature through eight integrated stages: multi-source metadata acquisition, asynchronous PDF retrieval, custom document layout analysis using modified Docling architecture, bibliographic management, LLM-based field extraction, topic modeling, semantic unification, and knowledge graph construction. The system creates dual data products - a Neo4j knowledge graph enabling complex relationship queries and Qdrant vector collections supporting semantic search - serving as foundational infrastructure for verifiable information synthesis. Evaluation across 643 observations from 60 testing sessions demonstrates structured field extraction achieving 35.1% higher semantic similarity scores (0.655 $\pm$ 0.178) compared to PDF chunking approaches (0.485 $\pm$ 0.204, p < 0.000001). The agentic quality assurance mechanism achieves 68.3% single-pass success rates with 99.0% citation accuracy in validated responses. Applied to geospatial epidemiology literature on ozone exposure and cardiovascular disease, the system identifies methodological trends and research gaps, demonstrating broad applicability across scientific domains for accelerating evidence synthesis and discovery.

Causal reasoning is essential for understanding decision-making about the behaviour of complex `ecosystems' of systems that underpin modern society, with security -- including issues around correctness, safety, resilience, etc. -- typically providing critical examples. We present a theory of strategic reasoning about system modelling based on minimal structural assumptions and employing the methods of transition systems, supported by a modal logic of system states in the tradition of van Benthem, Hennessy, and Milner, and validated through equivalence theorems. Our framework introduces an intervention operator and a separating conjunction to capture actual causal relationships between component systems of the ecosystem, aligning naturally with Halpern and Pearl's counterfactual approach based on Structural Causal Models. We illustrate the applicability through examples of of decision-making about microservices in distributed systems. We discuss localized decision-making through a separating conjunction. This work unifies a formal, minimalistic notion of system behaviour with a Halpern--Pearl-compatible theory of counterfactual reasoning, providing a logical foundation for studying decision making about causality in complex interacting systems.

We introduce AegisLLM, a cooperative multi-agent defense against adversarial attacks and information leakage. In AegisLLM, a structured workflow of autonomous agents - orchestrator, deflector, responder, and evaluator - collaborate to ensure safe and compliant LLM outputs, while self-improving over time through prompt optimization. We show that scaling agentic reasoning system at test-time - both by incorporating additional agent roles and by leveraging automated prompt optimization (such as DSPy)- substantially enhances robustness without compromising model utility. This test-time defense enables real-time adaptability to evolving attacks, without requiring model retraining. Comprehensive evaluations across key threat scenarios, including unlearning and jailbreaking, demonstrate the effectiveness of AegisLLM. On the WMDP unlearning benchmark, AegisLLM achieves near-perfect unlearning with only 20 training examples and fewer than 300 LM calls. For jailbreaking benchmarks, we achieve 51% improvement compared to the base model on StrongReject, with false refusal rates of only 7.9% on PHTest compared to 18-55% for comparable methods. Our results highlight the advantages of adaptive, agentic reasoning over static defenses, establishing AegisLLM as a strong runtime alternative to traditional approaches based on model modifications. Code is available at https://github.com/zikuicai/aegisllm

Large language model (LLM) agents have shown impressive reasoning capabilities in interactive decision-making tasks. These agents interact with environment through intermediate interfaces, such as predefined action spaces and interaction rules, which mediate the perception and action. However, mismatches often happen between the internal expectations of the agent regarding the influence of its issued actions and the actual state transitions in the environment, a phenomenon referred to as \textbf{agent-environment misalignment}. While prior work has invested substantially in improving agent strategies and environment design, the critical role of the interface still remains underexplored. In this work, we empirically demonstrate that agent-environment misalignment poses a significant bottleneck to agent performance. To mitigate this issue, we propose \textbf{ALIGN}, an \underline{A}uto-A\underline{l}igned \underline{I}nterface \underline{G}e\underline{n}eration framework that alleviates the misalignment by enriching the interface. Specifically, the ALIGN-generated interface enhances both the static information of the environment and the step-wise observations returned to the agent. Implemented as a lightweight wrapper, this interface achieves the alignment without modifying either the agent logic or the environment code. Experiments across multiple domains including embodied tasks, web navigation and tool-use, show consistent performance improvements, with up to a 45.67\% success rate improvement observed in ALFWorld. Meanwhile, ALIGN-generated interface can generalize across different agent architectures and LLM backbones without interface regeneration. Code and experimental results are available at https://github.com/THUNLP-MT/ALIGN.

Robotic research is inherently challenging, requiring expertise in diverse environments and control algorithms. Adapting algorithms to new environments often poses significant difficulties, compounded by the need for extensive hyper-parameter tuning in data-driven methods. To address these challenges, we present Agent-Arena, a Python framework designed to streamline the integration, replication, development, and testing of decision-making policies across a wide range of benchmark environments. Unlike existing frameworks, Agent-Arena is uniquely generalised to support all types of control algorithms and is adaptable to both simulation and real-robot scenarios. Please see our GitHub repository https://github.com/halid1020/agent-arena-v0.

Despite the surge of interest in autonomous scientific discovery (ASD) of software artifacts (e.g., improved ML algorithms), current ASD systems face two key limitations: (1) they largely explore variants of existing codebases or similarly constrained design spaces, and (2) they produce large volumes of research artifacts (such as automatically generated papers and code) that are typically evaluated using conference-style paper review with limited evaluation of code. In this work we introduce CodeScientist, a novel ASD system that frames ideation and experiment construction as a form of genetic search jointly over combinations of research articles and codeblocks defining common actions in a domain (like prompting a language model). We use this paradigm to conduct hundreds of automated experiments on machine-generated ideas broadly in the domain of agents and virtual environments, with the system returning 19 discoveries, 6 of which were judged as being both at least minimally sound and incrementally novel after a multi-faceted evaluation beyond that typically conducted in prior work, including external (conference-style) review, code review, and replication attempts. Moreover, the discoveries span new tasks, agents, metrics, and data, suggesting a qualitative shift from benchmark optimization to broader discoveries.

The prototyping of computer games, particularly card games, requires extensive human effort in creative ideation and gameplay evaluation. Recent advances in Large Language Models (LLMs) offer opportunities to automate and streamline these processes. However, it remains challenging for LLMs to design novel game mechanics beyond existing databases, generate consistent gameplay environments, and develop scalable gameplay AI for large-scale evaluations. This paper addresses these challenges by introducing a comprehensive automated card game prototyping framework. The approach highlights a graph-based indexing method for generating novel game designs, an LLM-driven system for consistent game code generation validated by gameplay records, and a gameplay AI constructing method that uses an ensemble of LLM-generated action-value functions optimized through self-play. These contributions aim to accelerate card game prototyping, reduce human labor, and lower barriers to entry for game developers.

This article introduces a new symbolic regression algorithm based on the SPINEX (Similarity-based Predictions with Explainable Neighbors Exploration) family. This new algorithm (SPINEX_SymbolicRegression) adopts a similarity-based approach to identifying high-merit expressions that satisfy accuracy- and structural similarity metrics. We conducted extensive benchmarking tests comparing SPINEX_SymbolicRegression to over 180 mathematical benchmarking functions from international problem sets that span randomly generated expressions and those based on real physical phenomena. Then, we evaluated the performance of the proposed algorithm in terms of accuracy, expression similarity in terms of presence operators and variables (as compared to the actual expressions), population size, and number of generations at convergence. The results indicate that SPINEX_SymbolicRegression consistently performs well and can, in some instances, outperform leading algorithms. In addition, the algorithm's explainability capabilities are highlighted through in-depth experiments.

Developing efficient traffic models is essential for optimizing transportation systems, yet current approaches remain time-intensive and susceptible to human errors due to their reliance on manual processes. Traditional workflows involve exhaustive literature reviews, formula optimization, and iterative testing, leading to inefficiencies in research. In response, we introduce the Traffic Research Agent (TR-Agent), an AI-driven system designed to autonomously develop and refine traffic models through an iterative, closed-loop process. Specifically, we divide the research pipeline into four key stages: idea generation, theory formulation, theory evaluation, and iterative optimization; and construct TR-Agent with four corresponding modules: Idea Generator, Code Generator, Evaluator, and Analyzer. Working in synergy, these modules retrieve knowledge from external resources, generate novel ideas, implement and debug models, and finally assess them on the evaluation datasets. Furthermore, the system continuously refines these models based on iterative feedback, enhancing research efficiency and model performance. Experimental results demonstrate that TR-Agent achieves significant performance improvements across multiple traffic models, including the Intelligent Driver Model (IDM) for car following, the MOBIL lane-changing model, and the Lighthill-Whitham-Richards (LWR) traffic flow model. Additionally, TR-Agent provides detailed explanations for its optimizations, allowing researchers to verify and build upon its improvements easily. This flexibility makes the framework a powerful tool for researchers in transportation and beyond. To further support research and collaboration, we have open-sourced both the code and data used in our experiments, facilitating broader access and enabling continued advancements in the field.