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Evaluating mathematical capabilities is critical for assessing the overall performance of large language models (LLMs). However, existing evaluation methods often focus solely on final answers, resulting in highly inaccurate and…
We introduce LEGOMem, a modular procedural memory framework for multi-agent large language model (LLM) systems in workflow automation. LEGOMem decomposes past task trajectories into reusable memory units and flexibly allocates them across…
To fully expedite AI-powered chemical research, high-quality chemical databases are the foundation. Automatic extraction of chemical information from the literature is essential for constructing reaction databases, but it is currently…
Large Language Models (LLMs) have demonstrated the ability to solve a wide range of practical tasks within multi-agent systems. However, existing human-designed multi-agent frameworks are typically limited to a small set of pre-defined…
Large language models (LLMs) have shown great progress in responding to user questions, allowing for a multitude of diverse applications. Yet, the quality of LLM outputs heavily depends on the prompt design, where a good prompt might enable…
Large Language Model agents are reshaping the industrial landscape. However, most practical agents remain human-designed because tasks differ widely, making them labor-intensive to build. This situation poses a central question: can we…
Traditional Data+AI systems utilize data-driven techniques to optimize performance, but they rely heavily on human experts to orchestrate system pipelines, enabling them to adapt to changes in data, queries, tasks, and environments. For…
This paper introduces a multi-agent application system designed to enhance office collaboration efficiency and work quality. The system integrates artificial intelligence, machine learning, and natural language processing technologies,…
Workflows play a crucial role in enhancing enterprise efficiency by orchestrating complex processes with multiple tools or components. However, hand-crafted workflow construction requires expert knowledge, presenting significant technical…
We introduce ColPackAgent, an agent framework that autonomously runs Monte Carlo simulations of colloidal packing through a Model Context Protocol (MCP) tool server and an agent skill, whether as a standalone agent or inside an existing…
Artificial intelligence is reshaping scientific exploration, but most methods automate procedural tasks without engaging in scientific reasoning, limiting autonomy in discovery. We introduce Materials Agents for Simulation and Theory in…
We introduce SWE-Bench Pro, a substantially more challenging benchmark that builds upon the best practices of SWE-BENCH [25], but is explicitly designed to capture realistic, complex, enterprise-level problems beyond the scope of SWE-BENCH.…
Computational materials science and chemistry span vast knowledge domains and fractured software ecosystems. Although large language models (LLMs) have demonstrated research capabilities, scaling monolithic agents to manage the rigor and…
Hierarchical Multi-Agent Systems provide convenient and relevant ways to analyze, model, and simulate complex systems composed of a large number of entities that interact at different levels of abstraction. In this paper, we introduce…
Algorithm selection and hyperparameter tuning are critical steps in both academic and applied machine learning. On the other hand, these steps are becoming ever increasingly delicate due to the extensive rise in the number, diversity, and…
Engineering problem solving is central to real-world decision-making, requiring mathematical formulations that not only represent complex problems but also produce feasible solutions under data and physical constraints. Unlike mathematical…
Large Language Model (LLM) based multi-agent systems (MAS) have shown promise in tackling complex tasks, but often rely on predefined roles and centralized coordination, limiting their adaptability to evolving challenges. This paper…
Developing machine learning interatomic potentials (MLIPs) for complex materials systems remains challenging because it requires expertise in atomistic simulations, machine learning, and workflow design, as well as iterative active learning…
Agentic systems enable the intelligent use of research tooling, augmenting a researcher's ability to investigate and propose novel solutions to existing problems. Within Additive Manufacturing (AM), alloy selection and evaluation remains a…
In flexible assembly systems, existing task planning methods require a time-consuming configuration process by multiple experts to establish a production line for a new product. To address this challenge, we propose a multi-agent based task…