Rubing Chen

Rubing Chen, Xulu Zhang, Jiaxin Wu et al.

This paper addresses the need for improved precision in existing knowledge-enhanced question-answering frameworks, specifically Retrieval-Augmented Generation (RAG) methods that primarily focus on enhancing recall. We propose a multi-layer knowledge pyramid approach within the RAG framework to achieve a better balance between precision and recall. The knowledge pyramid consists of three layers: Ontologies, Knowledge Graphs (KGs), and chunk-based raw text. We employ cross-layer augmentation techniques for comprehensive knowledge coverage and dynamic updates of the Ontology schema and instances. To ensure compactness, we utilize cross-layer filtering methods for knowledge condensation in KGs. Our approach, named PolyRAG, follows a waterfall model for retrieval, starting from the top of the pyramid and progressing down until a confident answer is obtained. We introduce two benchmarks for domain-specific knowledge retrieval, one in the academic domain and the other in the financial domain. The effectiveness of the methods has been validated through comprehensive experiments by outperforming 19 SOTA methods. An encouraging observation is that the proposed method has augmented the GPT-4, providing 395% F1 gain by improving its performance from 0.1636 to 0.8109.

Youkang Wang, Jian Wang, Rubing Chen et al.

Inference-time scaling has emerged as a powerful technique for enhancing the reasoning performance of Large Language Models (LLMs). However, existing approaches often rely on heuristic strategies for parallel sampling, lacking a principled foundation. To address this gap, we propose a probabilistic framework that formalizes the optimality of inference-time scaling under the assumption that parallel samples are independently and identically distributed (i.i.d.), and where the Best-of-N selection strategy follows a probability distribution that can be estimated. Within this framework, we derive a theoretical lower bound on the required number of samples to achieve a target performance level, providing the first principled guidance for compute-efficient scaling. Leveraging this insight, we develop \textsc{OptScale}, a practical algorithm that dynamically determines the optimal number of sampled responses. \textsc{OptScale} employs a language model-based predictor to estimate probabilistic prior parameters, enabling the decision of the minimal number of samples needed that satisfy predefined performance thresholds and confidence levels. Extensive experiments on representative reasoning benchmarks (including MATH-500, GSM8K, AIME, and AMC) demonstrate that \textsc{OptScale} significantly reduces sampling overhead while remaining better or on par with state-of-the-art reasoning performance. Our work offers both a theoretical foundation and a practical solution for principled inference-time scaling, addressing a critical gap in the efficient deployment of LLMs for complex reasoning. The source code is publicly available at https://github.com/Albertwyk/OptScale.

Rubing Chen, Jiaxin Wu, Jian Wang et al.

The increasing demand for domain-specific evaluation of large language models (LLMs) has led to the development of numerous benchmarks. These efforts often adhere to the principle of data scaling, relying on large corpora or extensive question-answer (QA) sets to ensure broad coverage. However, the impact of corpus and QA set design on the precision and recall of domain-specific LLM performance remains poorly understood. In this paper, we argue that data scaling is not always the optimal principle for domain-specific benchmark construction. Instead, we introduce Comp-Comp, an iterative benchmarking framework grounded in the principle of comprehensiveness and compactness. Comprehensiveness ensures semantic recall by covering the full breadth of the domain, while compactness improves precision by reducing redundancy and noise. To demonstrate the effectiveness of our approach, we present a case study conducted at a well-renowned university, resulting in the creation of PolyBench, a large-scale, high-quality academic benchmark. Although this study focuses on academia, the Comp-Comp framework is domain-agnostic and readily adaptable to a wide range of specialized fields. The source code and datasets can be accessed at https://github.com/Anya-RB-Chen/COMP-COMP.

Rubing Chen, Jian Wang, Wenjie Li et al.

Current context augmentation methods, such as retrieval-augmented generation, are essential for solving knowledge-intensive reasoning tasks. However, they typically adhere to a rigid, brute-force strategy that executes retrieval at every step. This indiscriminate approach not only incurs unnecessary computational costs but also degrades performance by saturating the context with irrelevant noise. To address these limitations, we introduce Agentic Context Evolution (ACE), a framework inspired by human metacognition that dynamically determines whether to seek new evidence or reason with existing knowledge. ACE employs a central orchestrator agent to make decisions strategically via majority voting. It aims to alternate between activating a retriever agent for external retrieval and a reasoner agent for internal analysis and refinement. By eliminating redundant retrieval steps, ACE maintains a concise and evolved context. Extensive experiments on challenging multi-hop QA benchmarks demonstrate that ACE significantly outperforms competitive baselines in accuracy while achieving efficient token consumption. Our work provides valuable insights into advancing context-evolved generation for complex, knowledge-intensive tasks.

Youkang Wang, Jian Wang, Rubing Chen et al.

Test-time policy optimization enables large language models (LLMs) to adapt to distribution shifts by leveraging feedback from self-generated rollouts. However, existing methods rely on fixed-budget majority voting to estimate rewards, incurring substantial computational redundancy. We propose Optimal Rollout Allocation for Test-time Policy Optimization (OptPO), a principled framework that adaptively allocates inference budgets. By formulating the voting process as a Bayesian sequential probability ratio test, OptPO dynamically halts sampling once the posterior confidence in a consensus answer exceeds a specified threshold. Crucially, it utilizes the retained rollouts for on-policy updates, seamlessly integrating with algorithms like PPO or GRPO without requiring ground-truth labels. Across diverse reasoning benchmarks, OptPO significantly reduces rollout overhead compared to fixed-sample baselines while preserving or improving accuracy. By unifying statistically optimal stopping with test-time learning, OptPO offers a computationally efficient paradigm for test-time adaptation. The source code will be open upon acceptance at https://open-upon-acceptance.

Jiaxin Wu, Ting Zhang, Rubing Chen et al.

Current molecular understanding approaches predominantly focus on the descriptive aspect of human perception, providing broad, topic-level insights. However, the referential aspect -- linking molecular concepts to specific structural components -- remains largely unexplored. To address this gap, we propose a molecular grounding benchmark designed to evaluate a model's referential abilities. We align molecular grounding with established conventions in NLP, cheminformatics, and molecular science, showcasing the potential of NLP techniques to advance molecular understanding within the AI for Science movement. Furthermore, we constructed the largest molecular understanding benchmark to date, comprising 117k QA pairs, and developed a multi-agent grounding prototype as proof of concept. This system outperforms existing models, including GPT-4o, and its grounding outputs have been integrated to enhance traditional tasks such as molecular captioning and ATC (Anatomical, Therapeutic, Chemical) classification.

Youkang Wang, Jian Wang, Rubing Chen et al.

Sequential scaling is a prominent inference-time scaling paradigm, yet its performance improvements are typically modest and not well understood, largely due to the prevalence of heuristic, non-principled approaches that obscure clear optimality bounds. To address this, we propose a principled framework that models sequential scaling as a two-state Markov process. This approach reveals the underlying properties of sequential scaling and yields closed-form solutions for essential aspects, such as the specific conditions under which accuracy is improved and the theoretical upper, neutral, and lower performance bounds. Leveraging this formulation, we develop MarkovScale, a practical system that applies these optimality criteria to achieve a theoretically grounded balance between accuracy and efficiency. Comprehensive experiments across 3 backbone LLMs, 5 benchmarks, and over 20 configurations show that MarkovScale consistently outperforms state-of-the-art parallel and sequential scaling methods, representing a significant step toward optimal and resource-efficient inference in LLMs. The source code will be open upon acceptance at https://open-upon-acceptance.