Bridging molecular structures and natural language is essential for controllable design. Autoregressive models struggle with long-range dependencies, while standard diffusion processes apply uniform corruption across positions, which can distort structurally informative tokens. We present BiMol-Diff, a unified diffusion framework for the paired tasks of text-conditioned molecule generation and molecule captioning. Our key component is a token-aware noise schedule that assigns position-dependent corruption based on token recovery difficulty, preserving harder-to-recover substructures during the forward process. On ChEBI-20 and M3-20M, BiMol-Diff improves molecule reconstruction with a 15.4% relative gain in Exact Match and achieves strong captioning results, attaining best BLEU and BERTScore among compared baselines. These results indicate token-aware noising improves fidelity in molecular structure-language modeling
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Large Language Models (LLMs) have achieved impressive performance on reasoning-intensive tasks, yet optimizing their reasoning efficiency remains an open challenge. While Test-Time Scaling (TTS) improves reasoning quality, it often leads to overthinking—wasting tokens on redundant computations. This work investigates how to efficiently and adaptively guide LLM TTS without additional training. Inspired by the concept of momentum in physics, we propose Momentum Uncertainty-guided Reasoning (MUR), which dynamically allocates thinking budgets to critical reasoning steps by tracking and aggregating step-wise uncertainty over time. To support flexible inference-time control, we introduce -control, a simple mechanism that tunes the reasoning budget via a single hyperparameter. We provide in-depth theoretical proof to support the superiority of MUR in terms of stability and biases. MUR is comprehensively evaluated against various TTS methods across four challenging benchmarks (MATH-500, AIME24, AIME25, and GPQA-diamond) using different sizes of recent Qwen3 models (1.7B, 4B, and 8B). Results demonstrate that MUR reduces computation by over 45% on average while improving accuracy by 0.33–3.46%.
FormalScience: Scalable Human-in-the-Loop Autoformalisation of Science with Agentic Code Generation in Lean
PDF ↗Formalising informal mathematical reasoning into formally verifiable code is a significant challenge for large language models. In scientific fields such as physics, domain-specific machinery (e.g. Dirac notation, vector calculus) imposes additional formalisation challenges that modern LLMs and agentic approaches have yet to tackle. To aid autoformalisation in scientific domains, we present FormalScience; a domain-agnostic human-in-the-loop agentic pipeline that enables a single domain expert (without deep formal language experience) to produce syntactically correct and semantically aligned formal proofs of informal reasoning for low economic cost. Applying FormalScience to physics, we construct FormalPhysics, a dataset of 200 university-level (LaTeX) physics problems and solutions (primarily quantum mechanics and electromagnetism), along with their Lean4 formal representations. Compared to existing formal math benchmarks, FormalPhysics achieves perfect formal validity and exhibits greater statement complexity. We evaluate open-source models and proprietary systems on a statement autoformalisation task on our dataset via zero-shot prompting, self-refinement with error feedback, and a novel multi-stage agentic approach, and explore autoformalisation limitations in modern LLM-based approaches. We provide the first systematic characterisation of semantic drift in physics autoformalisation in terms of concepts such as notational collapse and abstraction elevation which reveals what formal language verifies when full semantic preservation is unattainable. We release the codebase together with an interactive UI-based FormalScience system which facilitates autoformalisation and theorem proving in scientific domains beyond physics.[<https://github.com/jmeadows17/formal-science>]
Make LLMs See Like Investigators, Not Just Think More: The Role of Structured Analysis in Investigative Reasoning
PDF ↗Criminal investigators and intelligence analysts have developed structured analytic techniques to evaluate competing hypotheses under incomplete information. This study examines whether such human expert investigative methodologies are also effective for narrative-based culprit inference in large language models (LLMs). Focusing on the task of analyzing evidence from complex narratives and identifying the perpetrator among suspects, we conducted experiments on 10 LLMs using the MuSR murder mystery benchmark. The PRISM framework, which applies investigative techniques, consistently outperformed existing general-purpose strategies across all models, with its effectiveness manifesting regardless of model scale. Ablation studies revealed that the hypothesis structuring stage is particularly crucial, accounting for 89% of the methodological improvement beyond information filtering. This suggests that domain-specific structures that specify “what to analyze” are more effective in LLM reasoning than simply increasing the number of reasoning paths.
Reinforcement learning for LLM agents is typically conducted on a static data distribution, which fails to adapt to the agent’s evolving behavior and leads to poor coverage of complex environment interactions. To address these challenges, we propose CoEvolve, an agent-data mutual evolution framework that enables LLM agents to improve through closed-loop, interaction-driven training. Specifically, CoEvolve extracts feedback signals such as forgetting and uncertainty from rollout trajectories to identify failure-prone interaction patterns, and utilizes them to guide LLM-based task synthesis. The synthesized tasks are validated through environment interaction and utilized to update the data distribution, enabling joint adaptation of the agent and its data. Extensive experiments on AppWorld and BFCL across Qwen2.5-7B, Qwen3-4B, and Qwen3-30B-A3B demonstrate consistent and significant improvements over strong base models, yielding absolute gains of 19.43%, 15.58%, and 18.14%, respectively.
Conversational query rewriting (CQR) addresses context dependence in conversational search by rewriting each user query into a standalone form. Recent approaches leverage reinforcement learning (RL) to directly optimize retrieval effectiveness; however, they typically rely on a single rewrite, which struggles to accommodate the divergent preferences of sparse and dense retrievers and often suffers from conflicting optimization signals. We propose DVCQR, a Dual-View CQR framework that explicitly generates two complementary rewrites for each query: a sparse-view rewrite that emphasizes distinctive lexical anchors, and a dense-view rewrite that captures complete semantic constraints. Both rewrites are produced in a single pass via a structured reasoning process. To further mitigate objective conflicts, we introduce a stage-wise RL strategy that sequentially aligns the sparse and dense views with their corresponding retrievers using rank-based feedback. Extensive experiments on four benchmarks (TopiOCQA, QReCC, CAsT-19, and CAsT-20) demonstrate that DVCQR consistently outperforms state-of-the-art methods on most metrics under both sparse and dense retrieval settings, validating the effectiveness of dual-view rewriting and stage-wise retriever alignment.
MAB-DQA: Addressing Query Aspect Importance in Document Question Answering with Multi-Armed Bandits
PDF ↗Document Question Answering (DQA) involves generating answers from a document based on a user’s query, representing a key task in document understanding. This task requires interpreting visual layouts, which has prompted recent studies to adopt multimodal Retrieval-Augmented Generation (RAG) that processes page images for answer generation. However, in multimodal RAG, visual DQA struggles to utilize a large number of images effectively, as the retrieval stage often retains only a few candidate pages (e.g., Top-4), causing informative but less visually salient content to be overlooked in favor of common yet low-information pages. To address this issue, we propose a Multi-Armed Bandit–based DQA framework (MAB-DQA) to explicitly model the varying importance of multiple implicit aspects in a query. Specifically, MAB-DQA decomposes a query into aspect-aware subqueries and retrieves an aspect-specific candidate set for each. It treats each subquery as an arm and uses preliminary reasoning results from a small number of representative pages as reward signals to estimate aspect utility. Guided by an exploration–exploitation policy, MAB-DQA dynamically reallocates retrieval budgets toward high-value aspects. With the most informative pages and their correlations, MAB-DQA generates the expected results. On four benchmarks, MAB-DQA shows an average improvement of 5%-18% over the state-of-the-art method, consistently enhancing document understanding. Codes are available at https://github.com/ElephantOH/MAB-DQA.
As Large Language Model applications (LLM apps) become widespread, system prompts that determine app behavior are increasingly regarded as intellectual property, raising concerns about leakage. Recent studies show that this threat is no longer theoretical, revealing the prevalence of cloned apps replicating system prompts from others on real-world platforms. These clones pose risks of copyright infringement and malicious misuse, highlighting the need for early and reliable detection. In this paper, we propose PROMPRINT, a novel fingerprinting approach for detecting cloned LLM apps without exposing their system prompts. Motivated by the insight that different system prompts yield distinct responses to the same query, PROMPRINT optimizes queries that induce the LLM to generate a specific first token associated with the given system prompt, resulting in distinctive query–first-token pairs. Experiments on four instruction-tuned LLMs show that generated pairs effectively identify the corresponding system prompts, achieving over 74% probability of generating the target token while remaining below 2.2% on average under other prompts. Furthermore, we demonstrate that our fingerprinting remains robust to partial system prompt modifications and effective under the injection of adversarial instructions.
Large Language Models Are Bad Dice Players: LLMs Struggle to Generate Random Numbers from Statistical Distributions
PDF ↗As large language models (LLMs) transition from chat interfaces to integral components of stochastic pipelines and systems approaching general intelligence, the ability to faithfully sample from specified probability distributions has become a functional requirement rather than a theoretical curiosity. We present the first large-scale, statistically powered audit of native probabilistic sampling in frontier LLMs, benchmarking 11 models across 15 distributions. To disentangle failure modes, we employ a dual-protocol design: Batch Generation, where a model produces N{=}1000 samples within one response, and Independent Requests, comprising N{=}1000 stateless calls. We observe a sharp protocol asymmetry: batch generation achieves only modest statistical validity, with a 7% median pass rate, while independent requests collapse almost entirely, with 10 of 11 models passing none of the distributions. Beyond this asymmetry, we reveal that sampling fidelity degrades monotonically with distributional complexity and aggravates as the sampling horizon N increases. Finally, we demonstrate how the propagation of these failures into downstream real-world application tasks introduces systematic biases: models fail to enforce uniform answer-position constraints in Multiple Choice Question generation and systematically violate demographic targets in attribute-constrained text-to-image prompt synthesis. These findings indicate that current LLMs lack a functional internal sampler, necessitating external tools for applications requiring statistical guarantees.
Although camouflaged object segmentation has advanced rapidly in recent years, existing methods are still confined to visual mask prediction under fixed task assumptions. They cannot interactively respond to user requests, nor can they proactively understand and reason about the user’s intent. Our work tackles this issue by proposing a novel task, Language-Guided Reasoning Camouflaged Object Segmentation (LRCOS). Given a camouflaged image and an implicit query text instruction that requires reasoning, LRCOS aims to output intent-consistent segmentation mask. To establish a benchmark for this task, we build CamoQuery, comprising 12,437 image–mask samples and 25971 implicit query text instructions. To better reflect real-world camouflaged scenarios, we additionally collect MCD, a multi-instance camouflage dataset where multiple camouflaged targets co-exist within the same scene, increasing the need for reasoning. Building on CamoQuery, we further propose COSA, a vision–language segmentation assistant that segments the intended camouflaged object from implicit queries and produces a reasoning explanation. Experiments on CamoQuery demonstrate that COSA has strong reasoning segmentation capability in camouflaged scenes and exhibits zero-shot capability.
Information-seeking (IS) agents have achieved strong performance across a range of wide and deep search tasks, yet their tool use remains largely restricted to API-level snippet retrieval and URL-based page fetching, limiting access to the richer information available through real browsing. While full browser interaction could unlock deeper capabilities, its fine-grained control and verbose page content returns introduce substantial complexity for ReAct-style function-calling agents. To bridge this gap, we propose Nested Browser-Use Learning (NestBrowse), which introduces a minimal and complete browser-action framework that decouples interaction control from page exploration through a nested structure. This design simplifies agentic reasoning while enabling effective deep-web information acquisition. Empirical results on challenging deep IS benchmarks demonstrate that NestBrowse offers clear benefits in practice. Further in-depth analyses underscore its efficiency.
Natural Language Processing is rapidly evolving into a primary instrument for Computational Social Science, with researchers increasingly using embeddings to measure latent constructs such as novelty, creativity, and bias. However, this transition faces a fundamental validity challenge: the “Proxy Presumption,” or the reliance on geometric properties (e.g., cosine distance) as direct measures of social concepts. We argue that without explicit validation, unsupervised representations remain entangled mixtures of the target construct (C) and confounding attributes (Z) like topic, style, and authorship. To bridge the gap between semantic embeddings and valid social measures, we introduce the Construct Validity Protocol (CVP). Drawing on causal representation learning and psychometrics, the CVP offers a rigorous pipeline from conceptualization to quantitative verification. We further propose Counterfactual Neutralization, a novel method using LLMs to reduce confounding in embedding space. By providing a standardized Validity Suite—including tests for discriminant, incremental, and predictive validity—this work offers the community a toolkit to transform heuristic proxies into robust, scientifically defensible instruments.
Large reasoning models enhanced by reinforcement learning with verifiable rewards have achieved significant performance gains by extending their chain-of-thought. However, this paradigm incurs substantial deployment costs as models often exhibit excessive verbosity on simple queries. Existing efficient reasoning methods relying on explicit length penalties often introduce optimization conflicts and leave the generative mechanisms driving overthinking largely unexamined. In this paper, we identify a phenomenon termed length shift where models increasingly generate unnecessary reasoning on trivial inputs during training. To address this, we introduce Dynamic Outlier Truncation (DOT), a training-time intervention that selectively suppresses redundant tokens. This method targets only the extreme tail of response lengths within fully correct rollout groups while preserving long-horizon reasoning capabilities for complex problems. To complement this intervention and ensure stable convergence, we further incorporate auxiliary KL regularization and predictive dynamic sampling. Experimental results across multiple model scales demonstrate that our approach significantly pushes the efficiency-performance Pareto frontier outward. Notably, on the AIME-24, our method reduces inference token usage by 78% while simultaneously increasing accuracy compared to the initial policy and surpassing state-of-the-art efficient reasoning methods.
Prompt-based in-context learning (ICL) and parameter fine-tuning are two dominant paradigms for incorporating external information into large language models (LLMs), but they incur high inference costs or require expensive retraining. To bridge this gap, context-to-parameter mapping converts prompts into temporary adapter weights. However, we identify a critical failure mode in existing methods: *hidden-state collapse*, where the adapter-augmented model’s internal states diverge sharply from the full-context oracle in deeper layers. We trace this failure to two coupled gaps: suboptimal **Input-Selection** and inadequate **Supervision-Signal**. To address these issues, we propose SADA (**S**tate-**A**ligned **D**istillation **A**dapters). We establish the *attention-block output* as a principled feature interface to improve input selection and introduce *state-alignment distillation* to enforce consistency between the adapter-augmented model and the full-context oracle. Experiments on long-context language modeling (PG19) and downstream NLU and summarization benchmarks show that SADA consistently outperforms strong baselines like *StreamAdapter* and *GenerativeAdapter*, achieving performance comparable to ICL while significantly reducing memory footprint and latency. We further analyze when parameterized context compression is effective and when explicit context retention remains preferable. Our code is available at [https://github.com/Taylor-Gavel/SADA.git](https://github.com/Taylor-Gavel/SADA.git).
A Survey of Reinforcement Learning for Large Language Models under Data Scarcity: Challenges and Solutions
PDF ↗Reinforcement learning (RL) has emerged as a powerful post-training paradigm for enhancing the reasoning capabilities of large language models (LLMs). However, reinforcement learning for LLMs faces substantial data scarcity challenges, including the limited availability of high-quality external supervision and the constrained volume of model-generated experience. These limitations make data-efficient reinforcement learning a critical research direction. In this survey, we present the first systematic review of reinforcement learning for LLMs under data scarcity. We propose a bottom-up hierarchical framework built around three complementary perspectives: the data-centric perspective, the training-centric perspective, and the framework-centric perspective. We develop a taxonomy of existing methods, summarize representative approaches in each category, and analyze their strengths and limitations. Our taxonomy aims to provide a clear conceptual foundation for understanding the design space of data-efficient RL for LLMs and to guide researchers working in this emerging area. We hope this survey offers a comprehensive roadmap for future research and inspires new directions toward more efficient and scalable reinforcement learning post-training for LLMs.
Automated vehicles lack natural communication channels with other road users, making external Human-Machine Interfaces (eHMIs) essential for conveying intent and maintaining trust in shared environments. However, most eHMI studies rely on developer-crafted message-action pairs, which are difficult to adapt to diverse and dynamic traffic contexts. A promising alternative is to use Large Language Models (LLMs) as action designers that generate context-conditioned eHMI actions, yet such designers lack perceptual verification and typically depend on fixed prompts or costly human-annotated feedback for improvement.We present See2Refine, a human-free, closed-loop framework that uses vision-language models (VLMs) for perceptual evaluation as automated visual feedback to improve an LLM-based eHMI action designer. Given a driving context and a candidate eHMI action, the VLM evaluates the perceived appropriateness of the action, and this feedback is used to iteratively revise the designer’s outputs, enabling systematic refinement without human supervision.We evaluate our framework across three eHMI modalities (lightbar, eyes, and arm) and multiple LLM model sizes. Across settings, our framework consistently outperforms prompt-only LLM designers and manually specified baselines in both VLM-based metrics and human-subject evaluations. The results further indicate that the improvements are generalized across modalities and that VLM evaluations are reasonably aligned with human preferences in our controlled settings, supporting the robustness and effectiveness of See2Refine for scalable action design.
Enhancing Multimodal Large Language Models for Ancient Chinese Character Evolution Analysis via Glyph-Driven Fine-Tuning
PDF ↗In recent years, rapid advances in Multimodal Large Language Models (MLLMs) have increasingly stimulated research on ancient Chinese scripts. As the evolution of written characters constitutes a fundamental pathway for understanding cultural transformation and historical continuity, how MLLMs can be systematically leveraged to support and advance text evolution analysis remains an open and largely underexplored problem. To bridge this gap, we construct a comprehensive benchmark comprising 11 tasks and over 130,000 instances, specifically designed to evaluate the capability of MLLMs in analyzing the evolution of ancient Chinese scripts. We conduct extensive evaluations across multiple widely used MLLMs and observe that, while existing models demonstrate a limited ability in glyph-level comparison, their performance on core tasks-such as character recognition and evolutionary reasoning-remains substantially constrained. Motivated by these findings, we propose a glyph-driven fine-tuning framework (GEVO) that explicitly encourages models to capture evolutionary consistency in glyph transformations and enhances their understanding of text evolution. Experimental results show that even models at the 2B scale achieve consistent and comprehensive performance improvements across all evaluated tasks. To facilitate future research, we publicly release both the benchmark and the trained models.
Decoder-only large language models (LLMs) have been increasingly adopted to build embedding models for diverse tasks. To overcome the inherent limitations of causal attention in representation learning, many existing methods modify the attention mechanism to be bidirectional, potentially undermining LLMs’ ability to extract semantic information acquired during pre-training. Meanwhile, leading unidirectional approaches often rely on extra input text to generate contextualized embeddings, inevitably increasing computational costs. In this work, we propose Causal2Vec, a general-purpose embedding model tailored to enhance the performance of decoder-only LLMs without altering their original architectures or introducing significant computational overhead. Specifically, we first employ a lightweight BERT-style model to pre-encode the input text into a single Contextual token, which is then prepended to the LLM’s input sequence, allowing each token to capture contextualized information even without attending to future tokens. Furthermore, to mitigate the recency bias introduced by last-token pooling, we concatenate the last hidden states of Contextual and EOS tokens as the final text embedding. In practice, Causal2Vec achieves a new state-of-the-art performance on the MTEB benchmark among models trained solely on publicly available retrieval datasets.
Language is a vehicle for thought, intricately tied to sounds, symbols, and meaning. However, most large language model (LLM) research focuses on meaning (semantics) and symbols (spelling) while largely overlooking sounds. Existing benchmarks on LLMs’ phonological abilities are either solvable through rote memorization or intertwined with other abilities, making them inadequate to measure LLMs’ genuine ability in *phonological understanding*. Here, we present Phun-Bench, a purpose-built Chinese benchmark with diverse tasks and settings across three dimensions (Homophony, Rhyme, and Phonetic Similarity), designed to systematically evaluate LLMs’ phonological understanding. Our results show that while LLMs excel at recalling correct pronunciations, they generally struggle to leverage phonological knowledge in the flexible and intuitive way that human speakers do. Moreover, through detailed analyses, we propose a hypothesis regarding the underlying mechanism of LLMs’ phonological understanding and “perception”, highlighting an underexplored frontier for future research.
Large language models (LLMs) that fluently converse with humans are a reality - but do LLMs experience human-like processing difficulties? We systematically compare human and LLM sentence comprehension across seven challenging linguistic structures. We collect sentence comprehension data from humans and five families of state-of-the-art LLMs, varying in size and training procedure in a unified experimental framework. Our results show LLMs overall struggle on the target structures, but especially on garden path (GP) sentences. Indeed, while the strongest models achieve near perfect accuracy on non-GP structures (93.7% for GPT-5), they struggle on GP structures (46.8% for GPT-5). Additionally, when ranking structures based on average performance, rank correlation between humans and models increases with parameter count. For each target structure, we also collect data for their matched baseline without the difficult structure. Comparing performance on the target vs. baseline sentences, the performance gap observed in humans holds for LLMs, with two exceptions: for models that are too weak performance is uniformly low across both sentence types, and for models that are too strong the performance is uniformly high. Together, these reveal convergence and divergence in human and LLM sentence comprehension, offering new insights into the similarity of humans and LLMs.