$A^2E$ : An End-to-End Agent Auditing Engine

With the rapid advancement of large language models (LLMs), harnesses have become essential infrastructure for deploying agents across a wide range of domains. The fast-evolving harness ecosystem has also made rigorous capability evaluation increasingly important. However, efficiently building an end-to-end, systematic, and comprehensive evaluation pipeline remains a significant challenge. To address this challenge, we introduce $A^2E$ (Agent Auditing Engine), an end-to-end evaluation engine designed for agent harnesses. $A^2E$ leverages our newly proposed Agent Task Protocol (ATP) to enable the rapid integration of evaluation tasks with different harnesses. Through an automatically instrumented Monitor, it captures and generates standardized execution traces during experiments. In the Evaluation stage, $A^2E$ systematically assesses harness capabilities using a suite of multidimensional metrics. Compared with correctness alone, these metrics provide a more fine-grained characterization of differences among harnesses in execution efficiency, tool use, task planning, and error recovery. Experiments conducted with $A^2E$ further reveal that model-harness combinations exhibit substantial performance variation across different types of tasks, and that no single combination consistently outperforms all others across every task. These findings not only demonstrate the necessity of systematic evaluation but also provide useful guidance for the co-evolving of models and harnesses. Our code is available at https://github.com/datamllab/A2E.

An End-to-End Agent Auditing Engine

With the rapid advancement of large language models (LLMs), harnesses have become essential infrastructure for deploying agents across a wide range of domains. The fast-evolving harness ecosystem has also made rigorous capability evaluation increasingly important. However, efficiently building an end-to-end, systematic, and comprehensive evaluation pipeline remains a significant challenge. To address this challenge, we introduce $A^2E$ (Agent Auditing Engine), an end-to-end evaluation engine designed for agent harnesses. $A^2E$ leverages our newly proposed Agent Task Protocol (ATP) to enable the rapid integration of evaluation tasks with different harnesses. Through an automatically instrumented Monitor, it captures and generates standardized execution traces during experiments. In the Evaluation stage, $A^2E$ systematically assesses harness capabilities using a suite of multidimensional metrics. Compared with correctness alone, these metrics provide a more fine-grained characterization of differences among harnesses in execution efficiency, tool use, task planning, and error recovery. Experiments conducted with $A^2E$ further reveal that model-harness combinations exhibit substantial performance variation across different types of tasks, and that no single combination consistently outperforms all others across every task. These findings not only demonstrate the necessity of systematic evaluation but also provide useful guidance for the co-evolving of models and harnesses. Our code is available at https://github.com/datamllab/A2E.

CAi Copilot: Reducing Operational Workload in Molecular Design through Intent-Driven Agentic Workflows

Early-stage molecular design is an iterative process, not just a task of generating molecules. Researchers turn broad goals into design strategies, refine candidates, assess many properties, and gather evidence before synthesis and tests. AI methods can generate molecules, optimize several goals, predict properties, dock compounds, and account for synthesis. Yet these functions are spread across specialized tools. Experts must still coordinate each step, judge interim results, and integrate evidence. The central challenge is thus to turn research intent into adaptive, traceable runs grounded in scientific tools. We cast this challenge as intent-to-evidence molecular design workflow execution and present CAi Copilot, an expert-oriented agent with three linked layers. The Research Interface Layer turns intent into an executable plan. The Agent Reasoning Layer uses interim results to guide each run. The Execution Substrate supplies molecular tools, metrics, reusable utilities, and backend services. Across 45 tasks, CAi achieves the strongest overall performance, with an outcome score of 84.59, exceeding the next-best result by 18.07 points. Additional benchmarks test how CAi coordinates generation, screening, and multi-criteria evaluation, while exposing limits in long-horizon execution. These results show that CAi turns broad molecular-design intent into transparent, traceable workflows that connect interim decisions to candidate-level evidence.