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作者: Li He ×
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01.
arXiv (CS.CL) 2026-06-15

Small LLMs: Pruning vs. Training from Scratch

Pruning promises a shortcut to strong small language models. In this work, we examine this promise by pruning Llama-3.1-8B at pruning ratios of 0.5–0.8 with six methods spanning depth, width, and sparse granularities, under two controlled token-matched settings. (1) With the same training token budget, pruned initialization consistently outperforms random initialization. This shows that the parent model provides a strong starting point, although the advantage narrows as the training token budget grows and as the pruning ratio rises, nearly vanishing at the highest pruning ratio we study. (2) When training from scratch is instead given the full token budget consumed by the whole pipeline, pruning at finer granularities still retains an advantage, while coarser structured pruning can be matched or surpassed. This suggests that the parent model transfers knowledge that additional training tokens alone cannot fully recover, but only at fine granularity. Taken together, our results yield a clear recommendation: with a large pretrained model in hand and a limited training token budget, pruning is better than training from scratch; when the training budget is not limited, training from scratch can be competitive for coarser pruning, so a large pretrained parent is not always necessary.

02.
arXiv (CS.CV) 2026-06-12

Comparing Commercial Depth Sensor Accuracy for Medical Applications

Depth estimation has numerous medical and surgical applications. We benchmark four depth sensors on a porcine bone specimen, a porcine belly specimen, and a silicone kidney phantom using stylus-sampled references. These objects contain several real-world challenges, including homogeneous surfaces, specular surfaces, and subsurface scattering. The comparison includes stereo, structured-light, and time-of-flight sensors at a distance of approximately 50 cm. Specifically, the Intel RealSense D405 (Intel RealSense, United States), PMD Flexx2 (pmdtechnologies, Germany), Stereolabs ZED 2i (Stereolabs, France), and Zivid 2M+ 60 (Zivid, Norway) are compared. The Zivid 2M+ 60 performed best across all objects and metrics considered in this work. The ZED ranked second for real tissue, but last on the phantom.

03.
arXiv (CS.LG) 2026-06-16

Q-Learning with Fine-Grained Gap-Dependent Regret

arXiv:2510.06647v2 Announce Type: replace-cross Abstract: We study fine-grained gap-dependent regret bounds for model-free reinforcement learning in episodic tabular Markov Decision Processes. Existing model-free algorithms achieve minimax worst-case regret, but their gap-dependent bounds remain coarse and fail to fully capture the structure of suboptimality gaps. We address this limitation by establishing fine-grained gap-dependent regret bounds for both UCB-based and non-UCB-based algorithms. In the UCB-based setting, we develop a novel analytical framework that explicitly separates the analysis of optimal and suboptimal state-action pairs, yielding the first fine-grained regret upper bound for UCB-Hoeffding (Jin et al., 2018). To highlight the generality of this framework, we introduce ULCB-Hoeffding, a new UCB-based algorithm inspired by AMB (Xu et al.,2021) but with a simplified structure, which enjoys fine-grained regret guarantees and empirically outperforms AMB. In the non-UCB-based setting, we revisit the only known algorithm AMB, and identify two key issues in its algorithm design and analysis: improper truncation in the $Q$-updates and violation of the martingale difference condition in its concentration argument. We propose a refined version of AMB that addresses these issues, establishing the first rigorous fine-grained gap-dependent regret for a non-UCB-based method, with experiments demonstrating improved performance over AMB.

04.
arXiv (CS.AI) 2026-06-24

FISHER: A Foundation Model for Multi-Modal Industrial Signal Comprehensive Representation

arXiv:2507.16696v3 Announce Type: replace-cross Abstract: Industrial signal analysis is hindered by severe data heterogeneity, which we characterize as the M5 problem. Existing solutions rely on specialized models that lack robustness and scalability, while large-scale pre-training has rarely been investigated in this area. In this work, we derive a prioritized roadmap for the M5 problem and propose FISHER, a Foundation model for multi-modal Industrial Signal compreHEnsive Representation. To address the foremost multi-sampling-rate problem, FISHER utilizes a novel sub-band modeling approach that treats sampling rate increments as concatenated sub-band information, enabling the adaptive usage of full signal bandwidth without resampling. FISHER is pre-trained by teacher-student self-distillation over external audio and music data. We also establish the RMIS benchmark, comprising 19 datasets across four modalities. In the experiment, FISHER outperforms 24 state-of-the-art series encoders (up to 2B) with much smaller sizes (up to 16x), showcasing groundbreaking diagnostic accuracy and remarkable versatility. We further demonstrate that 1) seamless adaptation to variable sampling rates is the key to generalization 2) audio and music data provide better temporal variability, which is essential for pre-training. Both FISHER and RMIS are open-sourced.

05.
arXiv (CS.CL) 2026-06-16

The Art of Mixology: Mixup-based Obfuscation for Privacy-Preserving Split Learning in Large Language Models

Split learning provides a practical paradigm for resource-constrained users to train Large Language Models (LLMs) by offloading computation-intensive layers to a server while keeping raw data local. However, existing privacy-preserving split learning methods still face a difficult trade-off among utility, privacy, efficiency, and stability. Specifically, these methods often suffer from substantial utility degradation, remain vulnerable to advanced data reconstruction attacks, incur prohibitive computational and communication overhead, or exhibit unstable performance across different tasks. In this paper, we propose MIXGUARD, a novel mixup-based privacy-preserving split learning framework for LLMs. MIXGUARD introduces token-level obfuscation, representation-level obfuscation, and adaptive gradient perturbation mechanisms, which operate jointly to preserve useful learning signals while preventing privacy leakage to the server. Technically, MIXGUARD first constructs a lightweight calibration model on a public dataset to refine the approximated target representation, and then applies this model during privacy-preserving fine-tuning on private data. We conduct extensive experiments on four classification tasks and four text generation tasks across multiple LLM families, model sizes, architectures, and fine-tuning strategies. The results show that MIXGUARD preserves model utility comparable to non-split training baselines, consistently achieves stronger privacy protection than existing split learning defense methods against state-of-the-art data reconstruction attacks, and remains robust under adaptive attack settings.

06.
arXiv (CS.AI) 2026-06-16

RoboPIN: Grounded Embodied Reasoning via Pinned Chain-of-Thought

arXiv:2606.15753v1 Announce Type: new Abstract: Embodied reasoning requires models to perceive task-relevant objects and spaces in physical environments and maintain consistent visual grounding throughout multi-step reasoning. However, current vision-language models rely on text-only or coordinate-augmented chain-of-thought, where entity references remain implicit and ambiguous. This may cause the reasoning process to decouple from visual evidence, entity references to drift across steps, and a causal disconnection between the reasoning trajectory and the final answer, with these problems further amplified in multi-view scenarios due to cross-view appearance changes. To address these issues, we propose Pinned Chain-of-Thought (\pincot{}), a structured reasoning paradigm that pins every reasoning step to visual evidence. \pincot{} introduces the concept of \reasoninganchor{}, which binds each task-relevant entity to a structured visual anchor with entity name, unique identity, view index, and spatial grounding, enabling consistent entity tracking across reasoning steps and views. We build a fully automated data generation pipeline to construct \dataset{}, a high-quality \pincot{}-formatted reasoning dataset. We then train \method{} through three-stage post-training that progressively injects embodied knowledge, structured reasoning ability, and process-supervised alignment, with rewards that directly constrain both anchor localization and identity consistency during reasoning. On 14 benchmarks covering embodied spatial reasoning, multi-view reasoning, and pointing, \method{} with only 4B parameters consistently outperforms 7B level open-source embodied models, achieving a 12\% average improvement over the strongest 7B baseline, Mimo-Embodied. Further analysis shows that \pincot{} improves grounding accuracy and cross-step identity consistency, validating the effectiveness of process supervision.

07.
arXiv (CS.AI) 2026-06-11

A Survey on Evaluating Quality and Trustworthiness in LLM-Generated Data

arXiv:2601.17717v3 Announce Type: replace Abstract: Large Language Models (LLMs) have emerged as powerful tools for generating data across various modalities. By transforming data from a scarce resource into a controllable asset, LLMs mitigate the bottlenecks imposed by the acquisition costs of real-world data for model training, evaluation, and system iteration. However, ensuring the high quality of LLM-generated synthetic data remains a critical challenge. Existing research primarily focuses on generation methodologies, with limited direct attention to the quality of the resulting data. Furthermore, most studies are restricted to single modalities, lacking a unified perspective across different data types. To bridge this gap, we propose the LLM Data Auditor framework. In this framework, we first describe how LLMs are utilized to generate data across six distinct modalities. More importantly, we systematically categorize intrinsic metrics for evaluating synthetic data from two dimensions: quality and trustworthiness. This approach shifts the focus from extrinsic evaluation, which relies on downstream task performance, to the inherent properties of the data itself. Using this evaluation system, we analyze the experimental evaluations of representative generation methods for each modality and identify substantial deficiencies in current evaluation practices. Based on these findings, we offer concrete recommendations for the community to improve the evaluation of data generation. Finally, the framework outlines methodologies for the practical application of synthetic data across different modalities.

08.
arXiv (CS.AI) 2026-06-18

WorldLines: Benchmarking and Modeling Long-Horizon Stateful Embodied Agents

arXiv:2606.18847v1 Announce Type: new Abstract: To assist humans over extended periods in real homes, embodied agents must remember user routines, world states, and past interactions. Existing long-term memory benchmarks mainly evaluate language-centric retrieval and question answering, while embodied benchmarks often focus on short-horizon task execution without testing long-term memory use in dynamic environments. We introduce WorldLines, a project-driven benchmark for long-horizon embodied household assistance. It constructs temporally extended household traces with dialogues, actions, execution feedback, object and device state changes, and converts them into evidence-linked samples for Memory QA and Embodied Task Planning. We further propose ObsMem, an observer-grounded memory framework that maintains visibility-aware memories and action-native state trails for state-aware decisions. Experiments reveal persistent challenges in partial observability, overwritten world states, and translating long-term memory into embodied plans, while ObsMem offers a stronger reference architecture for this setting.

09.
arXiv (CS.LG) 2026-06-19

A deep learning framework for jointly solving transient Fokker-Planck equations with arbitrary parameters and initial distributions

arXiv:2604.06001v2 Announce Type: replace-cross Abstract: Efficiently solving the Fokker-Planck equation (FPE) is central to analyzing complex parameterized stochastic systems. However, current numerical methods lack parallel computation capabilities across varying conditions, severely limiting comprehensive parameter exploration and transient analysis. This paper introduces a deep learning-based pseudo-analytical probability solution (PAPS) that, via a single training process, simultaneously resolves transient FPE solutions for arbitrary multi-modal initial distributions, system parameters, and time points. The core idea is to unify initial, transient, and stationary distributions via Gaussian mixture distributions (GMDs) and develop a constraint-preserving autoencoder that bijectively maps constrained GMD parameters to unconstrained, low-dimensional latent representations. In this representation space, the panoramic transient dynamics across varying initial conditions and system parameters can be modeled by a single evolution network. Extensive experiments on paradigmatic systems demonstrate that the proposed PAPS maintains high accuracy while achieving inference speeds four orders of magnitude faster than GPU-accelerated Monte Carlo simulations. This efficiency leap enables previously intractable real-time parameter sweeps and systematic investigations of stochastic bifurcations. By decoupling representation learning from physics-informed transient dynamics, our work establishes a scalable paradigm for probabilistic modeling of multi-dimensional, parameterized stochastic systems.

10.
arXiv (CS.CL) 2026-06-24

AutoSpecNER: A Fine-Grained Named Entity Recognition Dataset for Vehicle Specification Extraction

Vehicle advertisements contain rich specification information, but automotive NER resources remain limited. We introduce AutoSpecNER, an expert-annotated dataset for fine-grained entity recognition in vehicle listings. The dataset includes 659 advertisements from a popular car-selling website, with over 10,000 entities annotated across 15 categories, including MODEL, ENGINE_SPEC, and BATTERY_CAPACITY. Annotation quality was validated through inter-annotator agreement, achieving an average score of 91.5%. We benchmark rule-based extraction, fine-tuned transformer encoders, and large language models. DeBERTa achieves the best performance with a 90% micro-F1 score, outperforming the rule-based baseline (43%) and the strongest large language model (77.8%).

11.
arXiv (CS.CV) 2026-06-18

The Reward Was in Your Data All Along: Correcting Flow Matching with Discriminator-Guided RL

Score- and flow-matching models often rely on preference-based reinforcement learning for two purposes: aligning with subjective preferences and, surprisingly, recovering properties such as visual realism and coherent object structure that matching-based training is intended to learn from the data itself. We argue that this reflects a structural mismatch. Matching losses measure $\ell_2$ regression error on the velocity or score field under training-time marginals, a proxy poorly aligned with the visual and semantic properties that determine sample quality at inference. Given a reward aligned with these properties, RL sidesteps the mismatch by evaluating the model on its own samples and following the reward landscape directly. The challenge is to obtain such a reward without relying on human preferences, which are expensive and conflate data realism with annotator inclinations. We propose Discriminator-Guided RL (DRL). DRL trains a discriminator to separate data from base-model samples in a pretrained representation space and uses its logit as the reward in KL-regularized RL. The pretrained space restricts the discriminator to perceptually meaningful directions, and the logit estimates the log-likelihood ratio between data and model, which is the optimal reward for targeting the data distribution. Across SiT, JiT, REPA, and RAE, DRL reduces guidance-free FID (e.g., $9.38 \to 2.62$ on SiT) and semantic-space FD (e.g., $88.2 \to 19.3$ on DINOv3 for SiT), with consistent gains across all backbones, and improves human-preference rewards without training on them. It also yields a better Pareto frontier between preference reward and image fidelity under subsequent preference-based post-training, increasing alignment while reducing low-level artifacts such as oversaturation and excessive brightness.

12.
arXiv (CS.AI) 2026-06-24

An Introduction to Causal Reinforcement Learning

arXiv:2606.24160v1 Announce Type: new Abstract: Causal inference provides a set of principles and tools that allow one to combine data and knowledge about an environment to reason with questions of counterfactual nature, i.e., what would have happened had reality been different, even when no data of this unrealized reality is currently available. Reinforcement learning provides methods to learn a policy that optimizes a specific measure (e.g., reward, regret) when the agent is deployed in an environment and pursues an exploratory, trial-and-error approach. These two disciplines have evolved independently and with virtually no interaction between them. We note that they operate over different aspects of the same building block, counterfactual relations, which makes them umbilically connected. Based on these observations, novel learning opportunities arise when this connection is explicitly acknowledged and mathematized. To realize this potential, we note that any environment where the RL agent is deployed can be decomposed as a collection of autonomous mechanisms with different causal invariances, parsimoniously modeled as a structural causal model; any standard RL setting implicitly encodes such a model. This formalization allows us to put under a unifying treatment different modes of learning, including online, off-policy, and causal calculus learning, which appear unrelated in the literature. However, these modalities are not exhaustive: we introduce several natural and pervasive classes of learning settings that entail novel dimensions of analysis. Specifically, we introduce and discuss through causal lenses generalized policy learning, where to intervene, imitation learning, and counterfactual learning. These tasks lead to a broader view of counterfactual learning and suggest great potential for studying causal inference and reinforcement learning side by side, which we call causal reinforcement learning (CRL).

13.
arXiv (CS.CV) 2026-06-18

Data-Forcing Distillation: Restoring Diversity and Fidelity in Few-Step Video Generation

Recent progress has shown promise in distilling multi-step video diffusion models into efficient few-step students. Among them, Distribution Matching Distillation (DMD) and its successor DMD2 achieved strong generation quality and fast convergence. However, due to the nature of the reverse Kullback–Leibler (KL) objective, these methods exhibit two persistent failure modes: a substantial drop in sample diversity, and visibly over-saturated outputs that deviate from real-video appearance. In this work, we propose Data-Forcing Distillation (DFD), a simple post-training framework that restores diversity and fidelity in DMD with only a single-line of code change. At its core is the teacher score discrepancy to guide the student toward the real-data distribution, pulling it to missing modes (mitigating mode collapse) and away from problematic modes absent in real data (avoiding over-saturation). We provide an in-depth theoretical analysis of our framework and validate our approach on text-to-video, image-to-video, and autoregressive video generation. With only 100–300 steps of finetuning, DFD effectively restores diversity and fidelity on both Wan2.1-1.3B and Cosmos-Predict2.5-2B model, resolving the over-saturation artifacts with significantly better video dynamics and appearance, and even outperforms the teacher model.

14.
arXiv (CS.AI) 2026-06-19

ENPIRE: Agentic Robot Policy Self-Improvement in the Real World

arXiv:2606.19980v1 Announce Type: new Abstract: Achieving dexterous robotic manipulation in the real world heavily relies on human supervision and algorithm engineering, which becomes a central bottleneck in the pursuit of general physical intelligence. Although emerging coding agents can generate code to automate algorithm search, their successes remain largely confined in digital environments. We conjecture that the missing abstraction to automate robotics research is a repeatable feedback loop for real-world policy improvement: reset the scene, execute a policy, verify the outcome, and refine the next iteration. To bridge this gap, we introduce ENPIRE, a harness framework for coding agents that instantiates this physical feedback routine with four core modules: an Environment module (EN) for automatic reset and verification, a Policy Improvement module (PI) that launches policy refinement, a Rollout module (R) to evaluate policies with one or multiple physical robots operating in parallel, and an Evolution module (E) in which coding agents analyze logs, consult literature, improve training infrastructure and algorithm code to address failure modes. This closed-loop system transforms real-world manipulation learning into a controllable optimization procedure, minimizing human effort while allowing fair ablations across training recipe and agent variants. Powered by ENPIRE, frontier coding agents can autonomously train a policy to achieve a 99% success rate on challenging, dexterous manipulation tasks, such as organizing a pin box, fastening a zip tie, and tool use, a process that further accelerates when we dispatch an agent team on a robot fleet. Our results suggest a practical and scalable path toward deploying coding agents to autonomously advancing robotics in the physical world.

15.
arXiv (CS.AI) 2026-06-19

Wisdom of Committee: Diverse Distillation from Large Foundation Models and Domain Experts

arXiv:2402.14035v4 Announce Type: replace-cross Abstract: Knowledge distillation from foundation models to compact domain models is challenging due to substantial gaps in capacity, architecture, and modality. For example, in our experiments, distilling from a 76M-parameter language model to a 2M-parameter recommender closes less than 40% of the performance gap between the undistilled student and the teacher. We show that introducing domain-specific experts – which share the student's architectural characteristics – alongside the foundation model as a diverse teacher committee significantly improves transfer. However, standard multi-teacher methods fail to exploit this diversity: naively combining heterogeneous teachers can degrade performance below single-teacher distillation. To address this, we propose DiverseDistill, an interactive distillation framework that employs a learnable Question-Answer mechanism to generate teacher-conditioned queries and align heterogeneous teacher outputs into the student's representation space. Unlike methods requiring gradient-based co-optimization or architectural modification of teachers, DiverseDistill operates with frozen teachers using only forward-pass inference through their intermediate layers: no parameter updates, no co-training, and no architectural surgery. A dynamic teacher importance mechanism further reduces training cost by filtering low-relevance teachers per sample (e.g., ~30% fewer forward passes with no quality loss for recommendation tasks), while the entire Distillation Module is discarded after training, adding zero inference overhead. Evaluations on recommendation (38x compression) and vision (3.6x compression) tasks demonstrate that DiverseDistill recovers 73-114% of the teacher-student performance gap, consistently outperforming all single- and multi-teacher baselines.

16.
arXiv (CS.CL) 2026-06-25

Measuring Research Difficulty of Academic Papers: A Case Study in Natural Language Processing

With the rapid growth of the number of academic papers, systematically evaluating the difficulty of research and its relationship to academic impact offers important significance for research topic selection and resource allocation. However, current studies lack quantitative assessments of research difficulty and its correlation with academic impact. This paper proposes a comprehensive evaluation system for research difficulty, incorporating factors such as academic collaboration, content, and references. Taking the field of Natural Language Processing (NLP) as a case study, we extract both internal and external features from academic papers, compute multiple research difficulty indicators. We assign their weights using the entropy weight method and perform a weighted sum to obtain the research difficulty score of academic papers. This paper uses the citation frequency of academic papers to measure academic impact. To validate our approach, NLP experts assessed the difficulty of a sample of papers, and correlation analyses confirmed the reliability of our measurement. Empirical results reveal that in NLP, factors such as the number of pages, reference count, and participation of high-level institutions are significantly associated with academic impact. Moreover, we identify an inverted U-shaped relationship between research difficulty and academic impact. It suggests that moderately difficult research tends to achieve greater academic impact.

17.
arXiv (CS.LG) 2026-06-15

Arbitrary control over multimode wave propagation for machine learning

arXiv:2402.17750v2 Announce Type: replace-cross Abstract: Controlled multimode wave propagation can enable more space-efficient photonic processors than architectures based on discrete components connected by single-mode waveguides. Instead of defining discrete elements, one can sculpt the continuous substrate of a photonic processor to perform computations through multimode interference in two dimensions. Here we designed and demonstrated a device with a refractive index that can be rapidly reprogrammed across space, allowing arbitrary control of wave propagation. The device, a two-dimensional programmable waveguide, uses parallel electro-optic modulation of the refractive index of a slab waveguide with about $10^4$ programmable spatial degrees of freedom. We implemented neural network inference on benchmark tasks with up to $49$-dimensional vectors in a single pass, without digital pre-processing or post-processing. Theoretical and numerical analyses further indicated that two-dimensional programmable waveguides may offer not only a constant-factor reduction in device area but also a scaling benefit, with the area required growing as $N^{1.5}$ rather than $N^2$.

18.
arXiv (CS.CL) 2026-06-16

Understanding, Detecting, and Repairing Real-World In-Context-Learning-Based Text-to-SQL Errors

Large language models (LLMs) have been adopted for text-to-SQL tasks, utilizing their in-context learning (ICL) capability to translate natural language questions into SQL queries. However, such a technique faces correctness problems. In this paper, we conduct the first comprehensive study of text-to-SQL errors of ICL-based techniques. Our study covers four representative ICL-based techniques, five basic repairing methods, two benchmarks, and two LLM settings. We find that text-to-SQL errors are widespread and summarize 27 error types of 7 categories. We also find that existing repairing attempts have limited correctness improvement while having high computational overhead and many mis-repairs. Based on these findings, we propose MapleDoctor, a novel text-to-SQL error detection and repairing framework. The evaluation demonstrates that MapleDoctor outperforms existing solutions by repairing 13.8% more queries with a negligible number of mis-repairs and reducing 67.4% repair latency. The artifact is publicly available at GitHub.

19.
arXiv (quant-ph) 2026-06-19

Operator Learning for efficient Quantum Computation

arXiv:2606.20184v1 Announce Type: new Abstract: An efficient implementation of quantum algorithms is often hindered by the lack of efficient primitives for operators and state preparation. This limits both the ability of near-term quantum hardware to simulate complex problems and the potential of fault-tolerant algorithms to achieve practical quantum advantage. To address this, we propose a full-stack variational framework that transforms arbitrary operators to compact quantum circuits. The resulting variational circuits can be tailored to the connectivity and long-range interaction of the target hardware. The learning process employs backpropagation together with a cost function that efficiently optimizes unitary operators and non-unitary – dense or sparse – operators using only a single ancilla qubit for block encoding. Additionally, we introduce a regularization term that reduces the approximation error. The approach is validated for both quantum mechanical and engineering applications. In the former case, we learn propagators that arise in native quantum problems – such as quantum simulation and quantum chemistry – and achieve improved resource scaling in comparison to standard Suzuki-Trotter expansions. In the latter case, we demonstrate the approach's ability to implement the second-order central finite difference approximation of the Laplace operator – relevant for solving partial differential equations – while improving upon current error metrics. The final example deals with learning a dense, non-unitary operator that arises in the analysis of inviscid potential flow around an airfoil. This universality of the framework opens the door for solving general problems beyond prototypical engineering and quantum applications.

20.
arXiv (CS.AI) 2026-06-18

AdsMind: A Physics-Grounded Multi-Agent System for Self-Correcting Discovery of Adsorption Configurations on Heterogeneous Catalyst Surfaces

arXiv:2606.19152v1 Announce Type: cross Abstract: Identifying the lowest-energy surface-adsorbate configuration is critical for modeling heterogeneous catalysis, yet exhaustive exploration with ab initio calculations is computationally prohibitive. Machine-learning force fields (MLFFs) accelerate structural relaxation but leave the search over the vast configurational space a major bottleneck, and open-loop large language model (LLM) agents lack a physics-grounded feedback mechanism to correct erroneous initial guesses. We propose AdsMind (Adsorption configuration discovery with Machine intelligence and relaxation feedback), a closed-loop multi-agent framework that enables autonomous error correction through MLFF relaxation feedback. Across four LLM backends, AdsMind achieves consistently high search reliability, with success rates of 100% and 98.8% on the benchmarks AA20 and OCD-GMAE62. Relative to its single-pass (1-Shot) ablation it reduces cross-backend energy dispersion, and it uses only 4.11 and 4.67 MLFF relaxations per case, respectively – an approximately 14-fold reduction over heuristic enumeration baselines. Density functional theory (DFT) validation using VASP/PBE on six representative AA20 systems shows that the reported open-loop Adsorb-Agent outputs exhibit qualitative adsorption-energy sign errors for molecular adsorbates, whereas AdsMind preserves the correct sign in all tested cases with closer quantitative agreement. AdsMind thus delivers reliability, self-reflection, and interpretability simultaneously, supporting more DFT-informed autonomous chemistry workflows.

21.
arXiv (CS.CL) 2026-06-25

Beyond Next-Observation Prediction: Agent-Authored World Modeling for Sequential Decision Making

Recent studies on world modeling for Large Language Model (LLM) agents typically formulate the learning objective as next-observation prediction. However, this objective ties supervision to what a transition happens to reveal, which may omit the dynamics most relevant to the agent's current decision. To bridge this gap, we propose Agent-Authored World Modeling (AAWM), a training procedure that constructs supervision from the policy's own decision needs. Specifically, at each state, the agent identifies what it needs to understand about the environment before acting. These needs drive the retrieval of relevant transition evidence across trajectories, which is then synthesized into training targets that capture decision-oriented dynamics instead of reconstructing the next observation. This aligns the training objective with the dynamics the policy needs before acting, not with the contents of the next observation. Experimental results validate the effectiveness of AAWM across multiple environments and training settings. These results show that decision-aware world-model targets provide a more effective learning signal than next-observation prediction.

22.
arXiv (CS.CL) 2026-06-12

MDForge: Agentic Molecular Dynamics Pipeline Design under Sparse Simulator Feedback

Molecular dynamics (MD) is the canonical in-silico method for atomistic molecular science, simulating molecular behavior from first-principle physics. Designing an MD pipeline for a new system requires substantial expert knowledge: running it on even one molecule is expensive, ruling out trial-and-error. We automate this expert pipeline-design process with an LLM agent. Unlike existing MD agents that orchestrate a predefined tool set, we treat pipeline design as open-ended code generation in which the agent's behavior is reshaped online by verbal reward. Specifically, we build MDForge, an LLM agent whose in-context update rule densifies the sparse reward via a multi-agent debate among physics experts. On three SAMPL host-guest binding free-energy benchmarks, MDForge automatically designs MD pipelines competitive with human experts. Deployed on a library of unseen candidate guests, its CB[7] pipeline discovers a novel binder that wet-lab competition NMR confirms is a high-affinity, picomolar CB[7] binder. Our data and code are available at https://github.com/Zehong-Wang/MDForge.

23.
arXiv (CS.CV) 2026-06-18

Mem-World: Memory-Augmented Action-Conditioned World Models for Persistent Robot Manipulation

Action-conditioned world models have emerged as a promising paradigm for robot learning, offering a scalable alternative to costly real-world experimentation by generating action-consistent video rollouts. However, persistent world modeling remains challenging in manipulation: frequent end-effector occlusions and rapid wrist-camera motion make the current observation insufficient for predicting future views, causing models to forget or hallucinate scene details seen in earlier frames. Existing memory retrieval strategies often fail to identify informative history in dynamic manipulation scenarios. To address this limitation, we propose Mem-World, a memory-augmented multi-view action-conditioned world model. At its core, we present W-VMem, a 4D wrist-view-centered surfel-indexed memory that anchors historical observations to temporally evolving surface elements. By explicitly modeling when and where scene elements are observed, W-VMem enables geometry-aware retrieval of relevant history frames conditioned on future actions. During generation, relevant history frames are selected via surfel-based rendering and scoring, providing informative and non-redundant context for prediction. Extensive experiments show that Mem-World generates persistent rollouts in complex manipulation scenarios, enables more reliable policy evaluation than Ctrl-World, improving the Pearson correlation with real-world performance by 14.5\%, and supports effective policy improvement through synthetic data generation, increasing success rates from 58\% to 72\% on long-horizon tasks.

24.
arXiv (CS.CV) 2026-06-11

From Nominal Intensity to Equivalent Rainfall: A Path-Based Credibility Evaluation Framework for Simulated Rainfall in Autonomous-Driving Perception Tests

Credible simulated-rainfall conditions are essential for identifying perception-system boundaries and supporting SOTIF-oriented risk assessment in automated driving. However, closed-field tests are often described only by nominal rainfall intensity or single-point measurements, making it difficult to align simulated rain fields with real rainfall and map test results to real-world scenarios. This paper proposes a path-based credibility evaluation method for simulated rainfall in autonomous-driving perception tests. Using the drop size and velocity joint distribution of real rainfall as the reference, each candidate path is represented by path-equivalent rainfall intensity, an uncertainty band, and a path-averaged Realism of Raindrop Distribution (RRD) score. Lidar target point-cloud count and mean reflectivity are further used for perception-consistency correction, quantifying the proxy capability of each simulated-rainfall path for real-rainfall perception effects. Experiments are conducted using about 10,000 real-rainfall raindrop-spectrum samples, 728 RainSense perception samples, and 45 spatial sampling points in a 2.4 m x 7.2 m simulated-rainfall area. Results show that spatial non-uniformity remains under the same nominal condition, confirming the need for path-based evaluation. The method identifies Path IV and Path VI as preferable candidates, with results of 11.54 +/- 0.31 mm/h, RRD = 0.43, and 8.28 +/- 0.34 mm/h, RRD = 0.46, respectively. These paths show more balanced performance in rainfall-intensity stability, raindrop-spectrum realism, and perception consistency. The proposed method supports path selection, condition description, and credible interpretation of autonomous-driving perception tests under rainfall.

25.
arXiv (CS.CL) 2026-06-16

Dual-Uncertainty Guided Policy Learning for Multimodal Reasoning

Reinforcement learning with verifiable rewards (RLVR) has advanced reasoning capabilities in multimodal large language models. However, existing methods typically treat visual inputs as deterministic, overlooking the perceptual ambiguity inherent to the visual modality. Consequently, they fail to distinguish whether a model's uncertainty stems from complex reasoning or ambiguous perception, preventing the targeted allocation of exploration or learning signals. To address this gap, we introduce DUPL, a dual-uncertainty guided policy learning approach for multimodal RLVR that quantifies and leverages both perceptual uncertainty (via symmetric KL divergence) and output uncertainty (via policy entropy) to guide policy updates. By establishing an uncertainty-driven feedback loop and employing a dynamic branch prioritization mechanism, DUPL recalibrates the policy advantage to focus learning on states with high perceptual or decisional ambiguity, enabling effective targeted exploration beyond passive data augmentation. Evaluated on diverse multimodal reasoning benchmarks spanning mathematical and general domains, DUPL achieves solid gains. It improves Qwen2.5-VL accuracy by up to $12.3%$ (3B) and $7.9%$ (7B), and Qwen3-VL-Instruct by up to $10.7%$ (4B) and $12.4%$ (8B), consistently outperforming GRPO, while seamlessly generalizing to alternative algorithms (DAPO, $+6.5%$ avg) and architectures (LLaVA-OneVision-1.5, $+4.7%$ avg). These results demonstrate that DUPL is an effective and generalizable approach for multimodal RLVR.