Reinforcement learning (RL) has become a central post-training tool for improving the reasoning abilities of large language models (LLMs). In these systems, the rollout, the trajectory sampled from a prompt to termination, including intermediate reasoning steps and optional tool or environment interactions, determines the data the optimizer learns from, yet rollout design is often underreported. This survey provides an optimizer-agnostic view of rollout strategies for RL-based post-training of reasoning LLMs. We formalize rollout pipelines with unified notation and introduce Generate-Filter-Control-Replay (GFCR), a lifecycle taxonomy that decomposes rollout pipelines into four modular stages: Generate proposes candidate trajectories and topologies; Filter constructs intermediate signals via verifiers, judges, critics; Control allocates compute and makes continuation/branching/stopping decisions under budgets; and Replay retains and reuses artifacts across rollouts without weight updates, including self-evolving curricula that autonomously generate new training tasks. We complement GFCR with a criterion taxonomy of reliability, coverage, and cost sensitivity that characterizes rollout trade-offs. Using this framework, we synthesize methods spanning RL with verifiable rewards, process supervision, judge-based gating, guided and tree/segment rollouts, adaptive compute allocation, early-exit and partial rollouts, throughput optimization, and replay/recomposition for self-improvement. We ground the framework with case studies in math, code/SQL, multimodal reasoning, tool-using agents, and agentic skill benchmarks that evaluate skill induction, reuse, and cross-task transfer. Finally, we provide a diagnostic index that maps common rollout pathologies to GFCR modules and mitigation levers, alongside open challenges for building reproducible, compute-efficient, and trustworthy rollout pipelines.
Traditional retrieval pipelines optimize utility through stages of candidate retrieval and reranking, where ranking operates over a predefined candidate set. Large Language Models (LLMs) broaden this into a generative process: given a candidate pool, an LLM can generate a subset and order it within a single autoregressive pass. However, this flexibility introduces a new optimization challenge: the model must search a combinatorial output space while receiving utility feedback only after the full ranked list is generated. Because this feedback is defined over the completed sequence, it cannot distinguish whether a poor result arises from failing to generate a relevant subset or from failing to rank that subset correctly. This credit assignment gap makes end-to-end optimization unstable and sample-inefficient. Existing systems often address this by separating candidate generation from ranking. However, such decoupling remains misaligned with downstream utility because ranking is limited by the candidate set it receives. To bridge this gap, we propose a unified framework that performs both within a single autoregressive rollout and optimizes them end-to-end via factorized group-relative policy optimization (F-GRPO). Our framework factorizes the policy into candidate generation and ranking while sharing a single LLM backbone, and jointly trains them with an order-invariant coverage reward and a position-aware utility reward. To address the resulting phase-specific credit assignment problem, we use separate group-relative advantages for generation and ranking within a two-phase sequence-level objective. Across sequential recommendation and multi-hop question answering benchmarks, F-GRPO improves top-ranked performance over GRPO and decoupled baselines, outperforms supervised alternatives, and remains competitive with strong zero-shot rerankers, with no architectural changes at inference time.
Scientific retrieval is essential for advancing scientific knowledge discovery. Within this process, document reranking plays a critical role in refining first-stage retrieval results. However, standard LLM listwise reranking faces challenges in the scientific domain. First-stage retrieval is often suboptimal in the scientific domain, so relevant documents are ranked lower. Meanwhile, conventional listwise reranking places the full text of candidates into the context window, limiting the number of candidates that can be considered. As a result, many relevant documents are excluded before reranking, constraining overall retrieval performance. To address these challenges, we explore semantic-feature-based compact document representations (e.g., categories, sections, and keywords) and propose CoRank, a training-free, model-agnostic reranking framework for scientific retrieval. It presents a three-stage solution: (i) offline extraction of document features, (ii) coarse-grained reranking using these compact representations, and (iii) fine-grained reranking on full texts of the top candidates from (ii). This integrated process addresses suboptimal first-stage retrieval: Compact representations allow more documents to fit within the context window, improving candidate set coverage, while the final fine-grained ranking ensures a more accurate ordering. Experiments on 5 academic retrieval datasets show that CoRank significantly improves reranking performance across different LLM backbones (average nDCG@10 from 50.6 to 55.5). Overall, these results underscore the synergistic interaction between information extraction and information retrieval, demonstrating how structured semantic features can enhance reranking in the scientific domain.
Code generation is typically trained in the primal space of programs: a model produces a candidate solution and receives sparse execution feedback, often a single pass/fail bit. Test-time scaling enriches the inference procedure by sampling multiple candidates and judging among them, but the comparative information this process reveals is discarded after inference. We argue that this information defines a dual judgment space that provides a far richer training signal: the model learns not from an isolated success or failure, but from the relative correctness structure across its own plausible attempts, identifying which succeed, which fail, and what distinguishes them. We introduce DuST (Dual Self-Training), a framework for self-training from the dual judgment space. DuST samples candidate programs from the model's own distribution, labels them through sandbox execution, retains groups containing both successes and failures, and trains the model to rank candidates by execution correctness using GRPO. The objective is purely discriminative: the model is never directly rewarded for generating correct programs. Dual self-training improves both judgment and generation. Across five models spanning two families and three scales (4B to 30B), DuST consistently improves Best-of-4 test-time scaling on LiveCodeBench. For Qwen3-30B-Thinking on LiveCodeBench v6, judgment quality improves by +6.2 NDCG, single-sample pass@1 improves by +3.1, and Best-of-4 accuracy improves by +4.1. The trained model's single rollout matches the base model's Best-of-4 performance. SFT on the same ranking data improves judgment without improving generation, confirming that on-policy RL is the mechanism that transfers dual-space learning back into primal generation.
Scientific document retrieval is a critical task for enabling knowledge discovery and supporting research across diverse domains. However, existing dense retrieval methods often struggle to capture fine-grained scientific concepts in texts due to their reliance on holistic embeddings and limited domain understanding. Recent approaches leverage large language models (LLMs) to extract fine-grained semantic entities and enhance semantic matching, but they typically treat entities as independent fragments, overlooking the multi-faceted nature of scientific concepts. To address this limitation, we propose Pairwise Semantic Matching (PairSem), a framework that represents relevant semantics as entity-aspect pairs, capturing complex, multi-faceted scientific concepts. PairSem is unsupervised, base retriever-agnostic, and plug-and-play, enabling precise and context-aware matching without requiring query-document labels or entity annotations. Extensive experiments on multiple datasets and retrievers demonstrate that PairSem significantly improves retrieval performance, highlighting the importance of modeling multi-aspect semantics in scientific information retrieval.
Retrieval-augmented generation (RAG) for language model (LM) systems fundamentally has two failure modes: retrieval failure and reading failure. The former fails to recall the right pieces of information from the external corpus, and the latter fails to produce the correct answer although the right information is retrieved. Some methods perform structured indexing for retrieval failure, but may suffer from limited generalization of the fixed structures. Some methods perform query-time structuring for reading failure, but typically require a lot of LM calls and rely heavily on the LM's capability. To this end, we propose Select-ANd-Extract (SANE), a simple yet effective plugin for RAG. For the retrieval failure, we retrieve a wide set of candidates with a semantic retriever, and leverage the LM to select the top candidates based on their synopses, which yields better recall than the original retriever. For the reading failure, we perform blueprint-guided query-time evidence extraction, which allows the generator LM to use only compact and structured key information so that it can perform better reasoning. Empirical results confirm that SANE brings solid improvements, while only introducing modest extra overhead. As a lightweight plugin for RAG, SANE offers a simple alternative to heavier approaches, and suggests a high-performance RAG framework need not be overly complex.
Current biomedical question answering (QA) systems often assume that medical knowledge applies uniformly, yet real-world clinical reasoning is inherently conditional: nearly every decision depends on patient-specific factors such as comorbidities and contraindications. Existing benchmarks do not evaluate such conditional reasoning, and retrieval-augmented or graph-based methods lack explicit mechanisms to ensure that retrieved knowledge is applicable to given context. To address this gap, we propose CondMedQA, the first benchmark for conditional biomedical QA, consisting of multi-hop questions whose answers vary with patient conditions. Furthermore, we propose Condition-Gated Reasoning (CGR), a novel framework that constructs condition-aware knowledge graphs and selectively activates or prunes reasoning paths based on query conditions. Our findings show that CGR more reliably selects condition-appropriate answers while matching or exceeding state-of-the-art performance on biomedical QA benchmarks, highlighting the importance of explicitly modeling conditionality for robust medical reasoning.
Entity structure extraction, which aims to extract entities and their associated attribute-value structures from text, is an essential task for text understanding and knowledge graph construction. Existing methods based on large language models (LLMs) typically rely heavily on predefined entity attribute schemas or annotated datasets, often leading to incomplete extraction results. To address these challenges, we introduce Zero-Shot Open-schema Entity Structure Discovery (ZOES), a novel approach to entity structure extraction that does not require any schema or annotated samples. ZOES operates via a principled mechanism of enrichment, refinement, and unification, based on the insight that an entity and its associated structure are mutually reinforcing. Experiments demonstrate that ZOES consistently enhances LLMs' ability to extract more complete entity structures across three different domains, showcasing both the effectiveness and generalizability of the method. These findings suggest that such an enrichment, refinement, and unification mechanism may serve as a principled approach to improving the quality of LLM-based entity structure discovery in various scenarios.
Understanding how computational effort is allocated across individual chain-of-thought (CoT) reasoning steps remains an open challenge: existing interpretability methods rely on output-level signals or collapse processing depth into a single trajectory-level scalar, leaving step-wise effort opaque. We propose Step-Aware Reasoning Energy (SARE), a geometric framework that quantifies effort at the granularity of individual CoT steps via Centered Kernel Alignment (CKA) between Gram matrices of token hidden states across adjacent transformer layers, capturing inter-token relational structure without requiring eigenvector alignment or cluster correspondence. SARE further contextualizes this energy within reasoning's semantic progression by modeling CoT trajectories as transitions among latent semantic states. Across six reasoning benchmarks and three open-weight LLMs, we find that reasoning energy is highly non-uniform across step types, exhibiting phase-like transitions invisible to trajectory-level metrics; incorrect trajectories show systematically lower energy at critical reasoning junctions; and SARE-based features match or outperform output-based confidence baselines in most settings, indicating that internal geometric dynamics encode predictive information beyond surface-level signals.
Large language models (LLMs) have achieved impressive performance on knowledge-intensive tasks, yet they often struggle with multi-step reasoning due to the unstructured nature of retrieved context. While retrieval-augmented generation (RAG) methods provide external information, the lack of explicit organization among retrieved passages limits their effectiveness, leading to brittle reasoning pathways. Recent interpretability studies highlighting the importance of structured intermediate reasoning further align with this perspective. We propose Retrieval-And-Structuring (RAS), a framework that dynamically constructs question-specific knowledge graphs through iterative retrieval and structured knowledge building. RAS interleaves targeted retrieval planning with incremental graph construction, enabling models to assemble and reason over evolving knowledge structures tailored to each query. On seven knowledge-intensive benchmarks, RAS consistently outperforms strong baselines, achieving up to 8.7\% and 7.0\% gains with proprietary and open-source LLMs, respectively. Our results demonstrate that dynamic, question-specific knowledge structuring offers a robust path to improving reasoning accuracy and robustness in language model generation.
Retrieval-Augmented Generation (RAG) has become a standard approach for knowledge-intensive question answering, but existing systems remain brittle on multi-hop questions, where solving the task requires chaining multiple retrieval and reasoning steps. Key challenges are that current methods represent reasoning through free-form natural language, where intermediate states are implicit, retrieval queries can drift from intended entities, and errors are detected by the same model that produces them making self-reflection an unreliable, ungrounded signal. We observe that multi-hop question answering is a typical form of step-by-step computation, and that this structured process aligns closely with how code-specialized language models are trained to operate. Motivated by this, we introduce , a framework that reformulates multi-hop RAG as program synthesis and execution. Instead of free-form reasoning trajectories, represents the reasoning process as an executable Python program over retrieval and QA tools, exposing intermediate states as variables, producing deterministic feedback through execution, and yielding an inspectable trace of the entire reasoning process. This formulation further enables compiler-grounded self-repair and execution-driven adaptive retrieval without any additional training. Experiments on five QA benchmarks (PopQA, HotpotQA, 2WikiMultihopQA, MuSiQue, and Bamboogle) show that consistently outperforms strong baselines under both training-free and RL-trained settings, with especially large gains on compositional multi-hop datasets. Our code, data and models are publicly available at https://github.com/GasolSun36/PyRAG.
Numerical weather prediction (NWP) models remain the cornerstone of atmospheric sciences. Yet, deep learning (DL) is challenging this paradigm by its ability to capture intricate spatio-temporal patterns and deliver ultra-fast predictions. Analogous to the foundation models (e.g., ChatGPT) in natural language processing, foundation models in the weather/climate domain have also been developed. This paper reviews DL and foundation models for weather prediction by highlighting their strengths and limitations. In particular, we carefully examine them from the perspective of their training paradigms: deterministic predictive learning, probabilistic generative learning, and pre-training & fine-tuning. For each paradigm, we summarize the underlying model architectures, training methods, and respective features. To facilitate further study, we provide a curated repository featuring categorized papers, open-source code, and benchmark datasets. Finally, we discuss and suggest potential research directions across new tasks and models in weather data storage and management, and operational deployment, further inspiring innovations in this rapidly evolving field. GitHub: https://github.com/JimengShi/DL-Foundation-Models-Weather.
Retrieval-Augmented Generation (RAG) systems remain brittle under realistic retrieval noise, even when the required evidence appears in the top-K results. A key reason is that retrievers and rerankers optimize solely for relevance, often selecting either trivial, answer-revealing passages or evidence that lacks the critical information required to answer the question, without considering whether the evidence is suitable for the generator. We propose BAR-RAG, which reframes the reranker as a boundary-aware evidence selector that targets the generator's Goldilocks Zone -- evidence that is neither trivially easy nor fundamentally unanswerable for the generator, but is challenging yet sufficient for inference and thus provides the strongest learning signal. BAR-RAG trains the selector with reinforcement learning using generator feedback, and adopts a two-stage pipeline that fine-tunes the generator under the induced evidence distribution to mitigate the distribution mismatch between training and inference. Experiments on knowledge-intensive question answering benchmarks show that BAR-RAG consistently improves end-to-end performance under noisy retrieval, achieving an average gain of 10.3 percent over strong RAG and reranking baselines while substantially improving robustness. Code is publicly avaliable at https://github.com/GasolSun36/BAR-RAG.
The validation of promising clinical biomarkers, molecular mechanisms, and novel drug targets in cardiovascular disease (CVD) is hindered by a vast and fragmented biomedical literature, which now exceeds 38 million publications indexed in PubMed. To address the central challenge of navigating and synthesizing a huge fragmented biomedical literature base, we applied our validated machine learning-based text-mining algorithm containing natural language processing (NLP) and incorporated this into a ValIdated Text-mining using Advanced Language model (VITAL) as a complementary framework. Using this approach, we analyzed more than 38 million PubMed abstracts and identified over 5.5 million relevant to six major CVD groups. These curated data then enabled a deep-dive case study on heart failure with preserved ejection fraction (HFpEF). Our computational framework systematically queried, quantified, mapped, and prioritized protein-disease associations, confirming established CVD biomarkers, such as BNP, troponin-I, galectin-3, and renin, and revealing novel protein signatures with potential diagnostic and therapeutic relevance. Ischemic heart disease (IHD, heart attacks), cardiomyopathy (CM, leading to heart failure), and cerebrovascular accidents (CVA, strokes and brain hemorrhages) exhibited the highest protein attribution densities and overlap, suggesting shared molecular pathways. Using HFpEF as a focused case study, our framework identified 5124 proteins associated with this condition, 4879 of which were shared across its major comorbidities (aging, type 2 diabetes/obesity, hypertension, and hyperlipidemia). Additionally, 4991 proteins were co-shared across key pathological mechanisms, including inflammation, mitochondrial dysfunction, and fibrosis, implicating convergent biological networks spanning these domains. To further characterize and prioritize these molecular associations, we performed a series of data science-driven analyses involving HFpEF-associated proteins. The top computationally ranked HFpEF protein candidates were the same top ranked proteins in the comorbidity-domains and in the pathology-domains suggesting that these proteins are important drivers with convergent molecular networks underlying HFpEF. Cross-referencing and validating top-ranked computational HFpEF protein candidates with clinical myocardial and extracardiac biopsy data from HFpEF patients and corresponding controls revealed that most of these proteins are predominantly expressed in the liver, pancreas, adipose tissue, and lymph nodes, rather than in cardiac tissue. This finding supports the emerging concept that HFpEF is fundamentally a multisystemic disorder mediated by inter-organ signaling rather than a disease confined to the heart. Our computational study demonstrates the capacity of text mining to annotate, integrate, and prioritize protein-disease relationships from large-scale textual data, thereby providing a complementary framework to traditional omics approaches for biomarker discovery and drug target identification in CVDs.
LLM-based agents are increasingly deployed to handle streaming tasks, yet they often remain one-off problem solvers that fail to learn from past interactions. Reusable skills distilled from experience provide a natural substrate for self-evolution, where high-quality skill curation serves as the key bottleneck. Existing approaches either rely on manual skill curation, prescribe heuristic skill operations, or train for short-horizon skill operations. However, they still struggle to learn complex long-term curation policies from indirect and delayed feedback. To tackle this challenge, we propose SkillOS, an experience-driven RL training recipe for learning skill curation in self-evolving agents. SkillOS pairs a frozen agent executor that retrieves and applies skills with a trainable skill curator that updates an external SkillRepo from accumulated experience. To provide learning signals for curation, we design composite rewards and train on grouped task streams based on skill-relevant task dependencies, where earlier trajectories update the SkillRepo, and later related tasks evaluate these updates. Across multi-turn agentic tasks and single-turn reasoning tasks, SkillOS consistently outperforms memory-free and strong memory-based baselines in both effectiveness and efficiency, with the learned skill curator generalizing across different executor backbones and task domains. Further analyses show that the learned curator produces more targeted skill use, while the skills in SkillRepo evolve into more richly structured Markdown files that encode higher-level meta-skills over time.
Adapting general-domain retrievers to scientific domains is challenging due to the scarcity of large-scale domain-specific relevance annotations and the substantial mismatch in vocabulary and information needs. Recent approaches address these issues through two independent directions that leverage large language models (LLMs): (1) generating synthetic queries for fine-tuning, and (2) generating auxiliary contexts to support relevance matching. However, both directions overlook the diverse academic concepts embedded within scientific documents, often producing redundant or conceptually narrow queries and contexts. To address this limitation, we introduce an academic concept index, which extracts key concepts from papers and organizes them guided by an academic taxonomy. This structured index serves as a foundation for improving both directions. First, we enhance the synthetic query generation with concept coverage-based generation (CCQGen), which adaptively conditions LLMs on uncovered concepts to generate complementary queries with broader concept coverage. Second, we strengthen the context augmentation with concept-focused auxiliary contexts (CCExpand), which leverages a set of document snippets that serve as concise responses to the concept-aware CCQGen queries. Extensive experiments show that incorporating the academic concept index into both query generation and context augmentation leads to higher-quality queries, better conceptual alignment, and improved retrieval performance.
Retrieval-Augmented Generation (RAG) helps large language models (LLMs) answer knowledge-intensive and time-sensitive questions by conditioning generation on external evidence. However, most RAG systems still retrieve unstructured chunks and rely on one-shot generation, which often yields redundant context, low information density, and brittle multi-hop reasoning. While structured RAG pipelines can improve grounding, they typically require costly and error-prone graph construction or impose rigid entity-centric structures that do not align with the query's reasoning chain. We propose TaSR-RAG, a taxonomy-guided structured reasoning framework for evidence selection. We represent both queries and documents as relational triples, and constrain entity semantics with a lightweight two-level taxonomy to balance generalization and precision. Given a complex question, TaSR-RAG decomposes it into an ordered sequence of triple sub-queries with explicit latent variables, then performs step-wise evidence selection via hybrid triple matching that combines semantic similarity over raw triples with structural consistency over typed triples. By maintaining an explicit entity binding table across steps, TaSR-RAG resolves intermediate variables and reduces entity conflation without explicit graph construction or exhaustive search. Experiments on multiple multi-hop question answering benchmarks show that TaSR-RAG consistently outperforms strong RAG and structured-RAG baselines by up to 14%, while producing clearer evidence attribution and more faithful reasoning traces.
Activation steering has emerged as a promising approach for efficiently adapting large language models (LLMs) to downstream behaviors. However, most existing steering methods rely on a single static direction per task or concept, making them inflexible under task variation and inadequate for complex tasks that require multiple coordinated capabilities. To address this limitation, we propose STEER2ADAPT, a lightweight framework that adapts LLMs by composing steering vectors rather than learning new ones from scratch. In many domains (e.g., reasoning or safety), tasks share a small set of underlying concept dimensions. STEER2ADAPT captures these dimensions as a reusable, low-dimensional semantic prior subspace, and adapts to new tasks by dynamically discovering a linear combination of basis vectors from only a handful of examples. Experiments across 9 tasks and 3 models in both reasoning and safety domains demonstrate the effectiveness of STEER2ADAPT, achieving an average improvement of 8.2
Large language models (LLMs) have shown promise for molecular property prediction, but their ability to reason over chemical structures remains limited, as molecular representations such as SMILES differ substantially from the natural language on which LLMs are primarily trained. To bridge this semantic and chemical knowledge gap, we propose MolE-RAG, a training-free, molecule-centric retrieval-augmented generation framework for LLM-based molecular property prediction. MolE-RAG augments each prediction with three complementary sources of inference-time context: retrieved chemistry literature, molecule-specific information including compound synonyms, identifiers, functional group annotations, and physicochemical descriptors, and structurally similar molecules retrieved from the training set. We evaluate MolE-RAG across nine molecular property prediction tasks using proprietary, chemistry-specialized, and open-source LLMs. Across general-purpose LLMs, MolE-RAG improves ROC-AUC by up to 28 percentage points on classification tasks and reduces regression RMSE by up to 67
Gerhard Weikum合作论文数Department of Databases and Information Systems, Max-Planck Institute for Informatics61
Philippe Bonnet合作论文数IT University of Copenhagen55
Sameh Elnikety合作论文数Microsoft Research in Cambridge52
Marcus Herzog合作论文数Computer Science department of the Vienna University of Technology,47