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Dec 10

Building a Foundational Guardrail for General Agentic Systems via Synthetic Data

While LLM agents can plan multi-step tasks, intervening at the planning stage-before any action is executed-is often the safest way to prevent harm, since certain risks can lead to severe consequences once carried out. However, existing guardrails mostly operate post-execution, which is difficult to scale and leaves little room for controllable supervision at the plan level. To address this challenge, we highlight three critical gaps in current research: data gap, model gap, and evaluation gap. To close the data gap, we introduce AuraGen, a controllable engine that (i) synthesizes benign trajectories, (ii) injects category-labeled risks with calibrated difficulty, and (iii) filters outputs via an automated reward model, producing large and reliable corpora for pre-execution safety. To close the guardian model gap, we propose a foundational guardrail Safiron, combining a cross-planner adapter with a compact guardian model. The adapter unifies different input formats, while Safiron flags risky cases, assigns risk types, and generates rationales; trained in two stages with a broadly explored data recipe, Safiron achieves robust transfer across settings. To close the evaluation gap, we release Pre-Exec Bench, a realistic benchmark covering diverse tools and branching trajectories, which measures detection, fine-grained categorization, explanation, and cross-planner generalization in human-verified scenarios. Extensive experiments demonstrate consistent gains of the proposed guardrail over strong baselines on Pre-Exec Bench, and ablations further distill actionable practices, providing a practical template for safer agentic systems.

GenPRM: Scaling Test-Time Compute of Process Reward Models via Generative Reasoning

Recent advancements in Large Language Models (LLMs) have shown that it is promising to utilize Process Reward Models (PRMs) as verifiers to enhance the performance of LLMs. However, current PRMs face three key challenges: (1) limited process supervision and generalization capabilities, (2) dependence on scalar value prediction without leveraging the generative abilities of LLMs, and (3) inability to scale the test-time compute of PRMs. In this work, we introduce GenPRM, a generative process reward model that performs explicit Chain-of-Thought (CoT) reasoning with code verification before providing judgment for each reasoning step. To obtain high-quality process supervision labels and rationale data, we propose Relative Progress Estimation (RPE) and a rationale synthesis framework that incorporates code verification. Experimental results on ProcessBench and several mathematical reasoning tasks show that GenPRM significantly outperforms prior PRMs with only 23K training data from MATH dataset. Through test-time scaling, a 1.5B GenPRM outperforms GPT-4o, and a 7B GenPRM surpasses Qwen2.5-Math-PRM-72B on ProcessBench. Additionally, GenPRM demonstrates strong abilities to serve as a critic model for policy model refinement. This work establishes a new paradigm for process supervision that bridges the gap between PRMs and critic models in LLMs. Our code, model, and data will be available in https://ryanliu112.github.io/GenPRM.

Psyche-R1: Towards Reliable Psychological LLMs through Unified Empathy, Expertise, and Reasoning

Amidst a shortage of qualified mental health professionals, the integration of large language models (LLMs) into psychological applications offers a promising way to alleviate the growing burden of mental health disorders. Recent reasoning-augmented LLMs have achieved remarkable performance in mathematics and programming, while research in the psychological domain has predominantly emphasized emotional support and empathetic dialogue, with limited attention to reasoning mechanisms that are beneficial to generating reliable responses. Therefore, in this paper, we propose Psyche-R1, the first Chinese psychological LLM that jointly integrates empathy, psychological expertise, and reasoning, built upon a novel data curation pipeline. Specifically, we design a comprehensive data synthesis pipeline that produces over 75k high-quality psychological questions paired with detailed rationales, generated through chain-of-thought (CoT) reasoning and iterative prompt-rationale optimization, along with 73k empathetic dialogues. Subsequently, we employ a hybrid training strategy wherein challenging samples are identified through a multi-LLM cross-selection strategy for group relative policy optimization (GRPO) to improve reasoning ability, while the remaining data is used for supervised fine-tuning (SFT) to enhance empathetic response generation and psychological domain knowledge. Extensive experiment results demonstrate the effectiveness of the Psyche-R1 across several psychological benchmarks, where our 7B Psyche-R1 achieves comparable results to 671B DeepSeek-R1.

  • 6 authors
·
Aug 14

Constrained composite Bayesian optimization for rational synthesis of polymeric particles

Polymeric nano- and micro-scale particles have critical roles in tackling critical healthcare and energy challenges with their miniature characteristics. However, tailoring their synthesis process to meet specific design targets has traditionally depended on domain expertise and costly trial-and-errors. Recently, modeling strategies, particularly Bayesian optimization (BO), have been proposed to aid materials discovery for maximized/minimized properties. Coming from practical demands, this study for the first time integrates constrained and composite Bayesian optimization (CCBO) to perform efficient target value optimization under black-box feasibility constraints and limited data for laboratory experimentation. Using a synthetic problem that simulates electrospraying, a model nanomanufacturing process, CCBO strategically avoided infeasible conditions and efficiently optimized particle production towards predefined size targets, surpassing standard BO pipelines and providing decisions comparable to human experts. Further laboratory experiments validated CCBO capability to guide the rational synthesis of poly(lactic-co-glycolic acid) (PLGA) particles with diameters of 300 nm and 3.0 mum via electrospraying. With minimal initial data and unknown experiment constraints, CCBO reached the design targets within 4 iterations. Overall, the CCBO approach presents a versatile and holistic optimization paradigm for next-generation target-driven particle synthesis empowered by artificial intelligence (AI).

  • 4 authors
·
Nov 6, 2024