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01.
arXiv (math.PR) 2026-06-25

On a remark of de Gennes concerning three-dimensional polyelectrolytes

arXiv:2604.08389v2 Announce Type: replace Abstract: This work is inspired by a remark of de Gennes about polyelectrolytes, which are charged polymers. A common model for a polymer is a self-avoiding or self-repelling random walk or Brownian motion. For polyelectrolytes, the repelling potential is the Coulomb potential arising from pairs of charged particles. We show that in the continuous case of Brownian motion in three dimensions, the spread of the polymer, in particular the the radius of gyration of a polyelectrolyte of length $T$ grows linearly with $T$, up to logarithmic corrections.

02.
arXiv (CS.AI) 2026-06-16

Let Them Steal: Trapping Large Language Model Extraction Attacks with Knowledge Honeypot

arXiv:2606.15810v1 Announce Type: cross Abstract: Large language models deployed as commercial APIs are vulnerable to model extraction attacks, while existing defenses either act too late or degrade utility for legitimate users. We propose Knowledge Trap, a defense that redirects extraction attacks toward low-transferability knowledge through a Honeypot Knowledge Graph (HKG) and breadcrumb-guided exploration. Instead of blocking queries or perturbing outputs, Knowledge Trap consumes the attacker's limited query budget on knowledge with negligible downstream utility while preserving benign-user performance. Experiments in medical and financial domains show that Knowledge Trap reduces surrogate Agreement by 6.2\% on average without degrading legitimate-user accuracy, outperforming existing defenses that impose measurable user impact. These results suggest that defending knowledge-space traversal is a practical direction for mitigating LLM extraction attacks.

03.
arXiv (math.PR) 2026-06-16

Effective Resistances and Commute Times in Sparse Random Geometric Graphs

arXiv:2606.14895v1 Announce Type: new Abstract: The commute time between two nodes in a network - the expected number of steps for a random walk to travel from one node to the other and then return - is a metric of broad importance arising in community detection, network routing, dimensionality reduction, and diffusion modeling. For random geometric graphs (RGGs), in which nodes are placed at random in a spatial domain and connected pairwise wherever their Euclidean distance is below a threshold radius, the relationship between commute times and the embedding geometry remains poorly understood outside very dense settings (where the role of the geometry disappears and commute times degenerate to a sum of inverse degrees). We develop and numerically validate a model for approximating commute times in sparse RGGs on a torus by combining theoretically motivated geometric contributions with an inverse degree sum. The geometric terms include a universal logarithmic contribution from the Laplacian, a quadratic correction encoding the compact topology of the torus, and a quartic angular term reflecting the square anisotropy of the domain. We fit this model to samples of node pairs across a range of graph sizes and mean degrees, demonstrating good predictive performance and that the geometric terms contribute significantly to model fit. We then study the continuous perturbation of the model from a regular square lattice to a fully random geometric graph, further validating the functional model form through this transition and showing how commute times in sparse RGGs retain meaningful geometric information about the embedding space.

04.
arXiv (CS.AI) 2026-06-12

Deployment-Centered Evaluation: Predicting Query-Level Rejection Risk in a Clinical LLM System

arXiv:2606.12702v1 Announce Type: new Abstract: Large language models (LLMs) are increasingly integrated into clinical systems, making it essential to evaluate the real-world utility of these systems. However, static benchmarks tend to measure correctness rather than user acceptance, aggregate performance across queries, and require densely annotated datasets – leading to major blind spots for evaluating clinical systems. In this work, we perform a deployment-centered evaluation of an LLM system embedded within electronic health records at an academic medical center, where user feedback is sparse but closely reflects the deployment conditions. Specifically, we train a pre-response classifier that estimates the risk that a future interaction will result in the user rejecting the LLM response, based on query content and deployment-specific context available before generation. We conduct a prospective analysis of our model over 4.5 months of user feedback, finding that our prediction model achieves an AUROC of 0.719. Further, we estimate the benefit of such predictions in two downstream use cases (guardrail triggering and abstention). Our key conceptual insight is that making use of deployment-specific context (i.e., the provider type, department name, language model used for response), as opposed to only query content, improves the ability to predict whether the user will reject the system output. Altogether, our empirical case study demonstrates the feasibility of predicting user rejection using deployment-specific context, opening the door to targeted guardrails.

05.
arXiv (CS.CL) 2026-06-17

PromptMN: Pseudo Prompting Language

Prompting has become the primary interface between humans and generative AI, yet many natural language prompts remain fragile: roles, goals, constraints, and expected outputs are often buried in prose or left implicit. In agentic and software development workflows, a misread at the first handoff can propagate through every step, since a significant portion of agent failures stem from context ambiguities rather than model limitations. This paper introduces PromptMN, a pseudo-prompting domain-specific language that annotates natural language with compact, %-prefixed typed directives covering roles, goals, requirements, priorities, constraints, plans, inputs, and outputs. Semantic resolution lets authors write in any order while the model interprets directives by function. PromptMN sits between informal prompting and programming-style pseudocode: structured enough to be inspectable and reusable, yet lightweight enough for analysts, managers, developers, and stakeholders across the software development lifecycle (SDLC). PromptMN also pairs with reverse prompt engineering. Asking a model to restate a desired outcome as PromptMN lets users inspect the inferred roles, goals, constraints, and missing assumptions before acting, reducing repair cycles and yielding a reusable artifact for aligning people and AI tools. PromptMN's feasibility is evaluated across several frontier models, including Claude Fable 5, Claude Opus 4.8, Gemini 3.1 Pro, and GPT-5.5. The models correctly resolved PromptMN instructions, including complex structures such as repetition, conditionals, methods, and a prime-checking task, without fine-tuning. The same vocabulary applies across new codebases, maintenance, and redesign in the SDLC scenarios presented. While large-scale validation remains future work, these early results suggest PromptMN is a practical step toward clearer, more reviewable human-to-AI interaction.

06.
arXiv (math.PR) 2026-06-16

Logarithmic Large Deviations for Heavy-Tailed Sums

arXiv:2606.16487v1 Announce Type: new Abstract: We establish logarithmic large-deviation bounds for sums of independent nonnegative random variables with regularly varying tails. The normalization is chosen at the extreme-value scale and the speed is $\log n$. In contrast with Cramér's theorem, the resulting rate function is determined only by the tail index. The proof transfers a maximum large-deviation principle to sums in the one-big-jump region.

07.
arXiv (CS.AI) 2026-06-25

From Sounds to Scenes: A Benchmark for Evaluating Context-Aware Auditory Scene Understanding in Large Audio Language Models

arXiv:2606.25391v1 Announce Type: cross Abstract: Recent Large Audio Language Models (LALMs) have achieved remarkable progress in audio perceptual tasks across individual acoustic layers, including speech, sound, and music. However, existing benchmarks predominantly evaluate these layers in isolation, overlooking the complex contextual relationships that arise when multiple acoustic sources co-occur in real-world auditory scenes. Real-world auditory interpretation requires Context-Aware Auditory Scene Understanding (CASU): the ability to comprehend the holistic scene by integrating sound layers. To evaluate this capability, we introduce the CASU benchmark, which assesses whether Audio LLMs can interpret auditory scenes composed of speech, acoustic events (e.g., announcements), and background environments (e.g., traffic), and reason about the logical relationships between these layers. We propose a scalable pipeline for constructing time-accurate, semi-synthetic audio streams by composing real-world scene sounds with synthetic speech. Building on this data, we design four tasks that probe scene understanding: contextual question answering, entity extraction from the scene, speaker role inference, and counterfactual reasoning where scene is manipulated. Experiments across multiple LALMs demonstrate that effective auditory scene understanding requires integration over all auditory layers, rather than reliance on speech or sound alone, underscoring the necessity of CASU for advancing complex audio understanding in LALMs.

08.
arXiv (quant-ph) 2026-06-24

Conditional channel entropy sets fundamental limits on thermodynamic quantum information processing

arXiv:2604.01217v2 Announce Type: replace Abstract: The thermodynamic resourcefulness of quantum channels primarily depends on their underlying causal structure and their ability to generate quantum correlations. We quantify this interplay within the resource theory of athermality for bipartite quantum channels in the presence of a side channel acting as memory, referred to as the resource theory of conditional athermality. For channels with trivial output Hamiltonians, we characterize the optimal one-shot rates for distilling the identity gate from a given channel, as well as the cost of simulating the channel using the identity gate, under conditional Gibbs-preserving superchannels. We show that these rates have a direct trade-off relation with the conditional channel entropies, attributing operational significance to signaling in quantum processes. Furthermore, we establish an asymptotic equipartition property for the conditional channel min-entropy for classes of channels that are either tele-covariant or no-signaling from the non-conditioning input to the conditioning output. As a consequence, we demonstrate asymptotic reversibility of the resource theory for these channels. The asymptotic conditional athermality capacity of a tele-covariant channel is half the superdense coding capacity of its Choi state. Our work establishes the conditional channel entropy as a primitive information-theoretic concept for quantum processes, elucidating its potential for wider applications in quantum information science.

09.
arXiv (quant-ph) 2026-06-25

Construction of new type of CNOT gate using cross-resonance pulse in the transmon-PPQ system

arXiv:2501.15218v3 Announce Type: replace Abstract: The transmon, known for its fast operation time and the coherence time of tens of microseconds, is the most commonly used qubit for superconducting quantum processors. However, it is still necessary to enhance the coherence time and the gate fidelity of superconducting quantum processors for the practical implementation of fault-tolerant quantum computing. Meanwhile, a novel superconducting qubit, which has the ability to protect the Cooper-pair parity on the superconducting island, has been proposed. This new qubit shows better coherence performance than the transmon, but it does not yet have an efficient method for realizing a superconducting hybrid system that harnesses it. In this work, we show how to implement a new type of CNOT gate in a superconducting hybrid system composed of tunable transmon and parity-protected qubit by applying a cross-resonance pulse. First, we provide hardware specifications and pulse parameters to construct a successful two-qubit gate in the hybrid system. Second, we show that our method can supply a CNOT gate of average fidelity with more than 0.998. Therefore, our work implies that the hybrid system may provide a new platform for quantum computers.

10.
arXiv (CS.AI) 2026-06-17

Trustworthy Self-Composable Big-Data-as-a-Service: An LLM-Orchestrated Multi-Agent Framework for Automated Data Engineering, AutoML, MLOps Deployment, and Drift-Aware Lifecycle Optimization

arXiv:2606.17915v1 Announce Type: cross Abstract: Big-Data-as-a-Service (BDaaS) platforms require re liable automation across data ingestion, cleaning, feature engi neering, model development, deployment, and post-deployment monitoring. However, existing LLM-based data science agents and AutoML systems mainly focus on isolated workflow stages, leaving limited support for lifecycle-level orchestration, artifact governance, human oversight, and drift-aware adaptation. This paper proposes a trustworthy self-composable BDaaS frame work based on LLM-orchestrated multi-agent collaboration. The proposed architecture decomposes the BDaaS lifecycle into specialized agents for data ingestion, data cleaning, feature engineering, AutoML training, model evaluation, MLOps de ployment, monitoring, and drift detection. A central LLM or chestration layer coordinates agent execution, validates interme diate outputs, manages workflow context, and enables dynamic workflow composition. The framework also incorporates shared artifact governance, reproducibility support, human-in-the-loop checkpoints, and drift-aware feedback loops. A prototype-based evaluation is conducted using controlled tabular benchmark datasets with missing values, categorical variables, outliers, class imbalance, and simulated covariate drift. Compared with manual ML, AutoML-only, and single-agent LLM baselines, the pro posed multi-agent BDaaS pipeline achieves competitive predictive performance while improving lifecycle-level reliability, including workflow completion, artifact traceability, deployment readiness, reproducibility, and drift recovery. The results suggest that LLM-orchestrated multi-agent systems can extend conventional AutoML toward trustworthy, adaptive, and production-oriented BDaaS lifecycle automation.

11.
arXiv (CS.CV) 2026-06-25

TryOnCrafter: Unleashing Camera Trajectories for Realistic Video Virtual Try-on via a Renderable 4D Try-on Proxy

While Video Virtual Try-on (VVT) has achieved remarkable progress in synthesizing realistic garment overlays on dynamic subjects, existing paradigms remains fundamentally constrained by a passive dependency on source camera trajectories, failing to accommodate the requisite interactive freedom for omnidirectional viewpoint exploration. To address this limitation, we define a pioneering research frontier: Camera-controllable Video Virtual Try-on (CaM-VVT). Unlike conventional VVT, CaM-VVT not only necessitates viewpoint-agnostic texture hallucination but also strict structural synchronization between non-rigid human dynamics and background contexts under arbitrary, unconstrained camera movements. To tackle these challenges, we present TryOnCrafter, the first unified DiT-based framework specifically architected for the CaM-VVT task. Departing from implicit pixel-space manipulation, we introduce a Renderable 4D Try-on Proxy that explicitly decouples the human subject from the environment. This is achieved by distilling high-fidelity 2D try-on priors into a clothed 3DGS-based avatar, which is subsequently animated via SMPL-X sequences and metric-aligned into a reconstructed background point cloud. This proxy establishes a robust structural foundation with superior texture density and motion integrity. Our Proxy-Anchored Video DiT leverages this robust structural foundation as a primary geometric anchor, ensuring that the synthesized photorealistic videos are strictly constrained by prescribed trajectories and physically plausible deformations. Benefiting from the inherent editability of the 4D proxy, TryOnCrafter facilitates diverse downstream applications, including human relocalization, ``bullet time'' effects, and $360$-degree orbital viewing.

12.
arXiv (CS.LG) 2026-06-16

Privacy from Symmetry: Orthogonally Equivariant Transformers for LLM Inference

arXiv:2606.16461v1 Announce Type: new Abstract: Running large language models locally is often impractical, pushing inference on sensitive text to third-party providers. Split inference partially mitigates this by keeping tokens on the client and sending only hidden representations, but these representations can still be recovered via nearest-neighbor search against the public embedding table. We propose an orthogonal obfuscation procedure in which the client multiplies embeddings by a secret orthogonal matrix before transmission. To enable correct inference under arbitrary rotations, we introduce ConjFormer, a transformer variant that is exactly $\mathrm{O}(d)$-equivariant via a lightweight normalization change (scalar RMSNorm) together with blockwise orthogonal conjugation of all linear weights. As a result, the server performs the full forward pass entirely in the rotated basis and never observes unrotated hidden states. Experiments on GPT-2 and Llama 3.2 1B models fine-tuned on PubMed show that orthogonal obfuscation eliminates direct cosine nearest-neighbor inversion and reduces token recovery from over 35% top-10 to at most 1.3%, while increasing perplexity by only 0.4% after fine-tuning. These results indicate that enforcing symmetry at the architectural level can provide a practical defense for privacy-preserving LLM inference without noise injection or heavy cryptographic machinery.

13.
arXiv (CS.CV) 2026-06-16

RealityBridge: Bridging Editable 3D Gaussian Splatting Driving Simulations and Real-World Videos

Long-tail hazardous scenarios are essential for safety-oriented autonomous driving, yet they are difficult to collect and reproduce at scale. Editable 3D Gaussian Splatting (3DGS) simulation offers a promising alternative by reconstructing real driving scenes and supporting controllable scene editing. However, edited 3DGS-rendered videos still suffer from a significant Sim-to-Real gap, including rendering artifacts, degraded foreground assets, inconsistent illumination, and temporal flickering. Existing restoration and video generation methods are insufficient for this task, as they often fail to jointly repair 3DGS-specific artifacts, improve visual realism, and ensure temporal consistency. To fill this gap, we propose RealityBridge, a structure-preserving and asset-aware Sim-to-Real framework for edited 3DGS driving videos. RealityBridge uses multimodal controls, including rendered videos, foreground masks, edge maps, and semantic masks, together with a lightweight GateNet for adaptive condition allocation across backbone layers. We further construct targeted training data and introduce autoregressive long-video training with reward-guided post-training to improve restoration quality, temporal stability, and hallucination suppression. Extensive experiments on internal and public driving datasets show that RealityBridge outperforms existing methods in artifact removal, illumination harmonization, and long-sequence temporal consistency.

14.
arXiv (CS.CL) 2026-06-16

Pretraining A Large Language Model using Distributed GPUs: A Memory-Efficient Decentralized Paradigm

Pretraining large language models (LLMs) typically requires centralized clusters with thousands of high-memory GPUs (e.g., H100/A100). Recent decentralized training methods reduce communication overhead by employing federated optimization; however, they still need to train the entire model on each node, remaining constrained by GPU memory limitations. In this work, we propose SParse Expert Synchronization (SPES), a memory-efficient decentralized framework for pretraining mixture-of-experts (MoE) LLMs. SPES trains only a subset of experts per node, substantially lowering the memory footprint. Each node updates its local experts and periodically synchronizes with other nodes, eliminating full-parameter transmission while ensuring efficient knowledge sharing. To mitigate limited per-expert data utilization under sparse expert updates, we introduce an expert-merging warm-up strategy, where experts exchange knowledge early in training, to rapidly establish foundational capabilities. With SPES, we train a 2B-parameter MoE LLM using 16 standalone 48GB GPUs over internet connections, which achieves competitive performance with centrally trained LLMs under similar computational budgets. We further demonstrate scalability by training a 7B model from scratch and a 9B model upcycled from a dense checkpoint, both of which match prior centralized baselines. Our code is available at https://github.com/zjr2000/SPES.

15.
arXiv (CS.CV) 2026-06-25

Cross-Attention Multimodal Learning for Predicting Response to Neoadjuvant Imatinib in Gastrointestinal Stromal Tumors: A Multicenter Retrospective Study

Background: Response to neoadjuvant imatinib in gastrointestinal stromal tumors (GISTs) is highly variable and cannot be reliably predicted using current clinical or molecular markers. This study developed and evaluated an explainable multimodal deep learning framework integrating computed tomography (CT) imaging and clinical variables to predict treatment response. Methods: Patients from four tertiary centers were retrospectively included between 2000-2023 in independent pretraining (n=935) and prediction (n=213) cohorts. A cross-attention framework integrating clinical variables and tumor-centered CT imaging was developed to predict response to neoadjuvant imatinib. Two training strategies were evaluated: (1) self-supervised pretraining with low-rank adaptation and (2) training from scratch. Hyperparameters were optimized using SMAC3. Performance was assessed through internal cross-validation and external testing. Ablation analyses and attention-based explanations were used to quantify modality contributions. Results: Among 213 patients (54.5% responders), responders had larger tumors (112 vs. 89 mm, P=0.026), higher mitotic index (3 vs. 0, P

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

Attribution-Guided and Coverage-Maximized Pruning for Structural MoE Compression

arXiv:2606.18304v1 Announce Type: cross Abstract: Mixture-of-Experts (MoE) models scale compute efficiently, yet remain expensive to deploy due to their substantial memory footprint and inference overhead. Prior compression methods mainly operate at the expert level, either removing entire experts or ranking experts by coarse-grained importance scores. However, such expert-wise decisions are often too coarse to capture fine-grained redundancy, leading to misallocated pruning budgets and limited compression. To address this problem, we observe that information within MoE experts is highly concentrated in a small subset of channels, leaving substantial redundancy even in experts deemed important. Based on this observation, we propose a structural pruning framework tailored for MoE models. Our method reformulates prune-ratio allocation as a channel-score coverage maximization problem and solves it efficiently using an attribution-based approximation. Experiments on DeepSeek and Qwen MoE models show that our method preserves model accuracy under 50% or 25% structured pruning when combined with 4-bit quantization. On Qwen3-30B-A3B, our approach reduces memory footprint by 5.27$\times$ and consistently outperforms state-of-the-art baselines across diverse benchmarks.

17.
arXiv (CS.LG) 2026-06-16

Assessing Predictive Models for Fairness Based on Movement Patterns

arXiv:2605.23234v3 Announce Type: replace Abstract: Assessing the spatial fairness of predictive models involves establishing whether they are statistically penalizing (favoring) individuals associated with certain geographical locations. Literature on this topic makes the fundamental assumption that each individual is assigned to a single geographical location (e.g., place of residence). However, fairness with respect to the set of locations where one has been, i.e., their movement patterns over different regions, also matters when fairness is considered. Consequently, we argue that it is necessary to generalize the notion of spatial fairness to also include movement patterns, leading to the novel problem of assessing predictive models for fairness relative to the movements of individuals. To deal with this problem, we propose an approach that first associates the movements of individuals to certain geographic regions, considering multiple spatial partitions with different resolutions and alignments, and then employs a suitable spatial scan statistic to assess whether a predictive model is fair based on movement patterns. In the experimental evaluation, we study the performance of our approach over thousands of synthetic unfair datasets, showing that it is effective at detecting this new type of unfairness and at retrieving the set of objects treated unfairly, while localization performance exhibits a consistent multi-resolution trade-off.

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

Generalizing Beyond Suboptimality: Offline Reinforcement Learning Learns Effective Scheduling through Random Solutions

arXiv:2509.10303v2 Announce Type: replace-cross Abstract: Online reinforcement learning (RL) approaches have demonstrated strong performance on Job Shop Scheduling (JSP) and Flexible JSP (FJSP) problems by learning scheduling policies through direct interaction with simulated environments. However, these methods often require extensive training interactions, limiting their sample efficiency and practical applicability. Motivated by this challenge, we introduce Conservative Discrete Quantile Actor-Critic (CDQAC), an offline RL algorithm that learns effective scheduling policies directly from static, suboptimal datasets. CDQAC couples a quantile-based critic with delayed policy updates to estimate the return distribution of machine-operation pairs. Extensive experiments on JSP and FJSP benchmarks demonstrate that CDQAC consistently outperforms the data-generating heuristics, surpasses state-of-the-art offline and online RL baselines, and is highly sample efficient, requiring only 1 to 5% of the original dataset to learn high-quality policies. Our analysis suggests that, in scheduling, offline RL performance is governed mainly by state-action coverage rather than the quality of individual trajectories. Scheduling couples a dense reward aligned with the makespan objective with equal-length trajectories across heuristics, enabling effective learning from a broad range of behaviors. Consistent with this observation, datasets generated by a simple random heuristic with broader coverage let it outperform policies trained on datasets produced by stronger heuristics such as Genetic Algorithms.

19.
medRxiv (Medicine) 2026-06-24

Using outlier detection methods to incorporate highly heterogeneous infection rates into compartment models

Superspreading events (SSEs) produce extreme, rare bursts of disease transmission that standard compartment models, which assume population homogeneity, fail to capture. This inability to model heterogeneity in transmission rates can result in biased estimates of transmissivity. To address this limitation, we present a modular framework that treats SSEs as statistical outliers in case count time series and incorporates them into SIR-type models via pulse terms that transfer SSE cases directly from susceptible to infected compartments. This separation isolates anomalous SSE-driven transmission from background spread, which reduces bias when estimating mean transmission rates. We validate the approach on synthetic data generated by a stochastic model with embedded SSEs, demonstrating accurate recovery of the true non-SSE transmission parameter. We then apply the method to COVID-19 outbreaks in Hong Kong and the German district of Gutersloh, showing improved model fits and more robust estimates of background transmissivity both for a period with constant transmission and for a period with temporally structured NPI-driven heterogeneities. The framework's interchangeable outlier-detection, compartment, and SSE modules make it adaptable to diverse diseases and data contexts.

20.
arXiv (CS.AI) 2026-06-16

Feature Attribution in Directed Acyclic Graphs Using Edge Intervention

arXiv:2606.15273v1 Announce Type: new Abstract: Shapley value-based feature attribution methods face challenges in scenarios involving complex feature interactions and causal relationships, even when a causal structure is provided. Existing methods typically adopt a node-centric view, attributing importance solely to individual features. Consequently, they often fail to simultaneously capture the externality and exogenous influence of features, leading to unreasonable interpretations. To overcome these limitations, we propose a novel feature attribution method called DAG-SHAP, which is based on edge intervention. DAG-SHAP treats each feature edge as an individual attribution object, ensuring that both externality and exogenous contributions of features are appropriately captured. Additionally, we introduce an approximation method for efficiently computing DAG-SHAP. Extensive experiments on both real and synthetic datasets validate the effectiveness of DAG-SHAP. Our code is available at https://github.com/ZJU-DIVER/DAG-SHAP.

21.
arXiv (CS.LG) 2026-06-17

Adaptable Method for Crystal Design across Diverse Constraints and Objectives with Pretrained Property Predictors

arXiv:2410.08562v5 Announce Type: replace-cross Abstract: Advanced crystal design can accelerate materials discovery across applications from photovoltaics to spintronics. Practical design must satisfy multiple properties and physical constraints, yet existing machine-learning-based approaches to such design often depend on large datasets, retraining, or task-specific generators. Here, we show that direct predictor-guided gradient optimization enables data-efficient, constraint-rich crystal design by combining off-the-shelf predictors with site-wise element masks, template initialization, and task-specific losses. In perovskites, it outperformed generative and Bayesian baselines under three targets – band gap, formation energy, and tolerance factor – and two hard constraints. DFT assessment further showed band-gap targeting competitive with a leading generative model despite using predictors trained on roughly one-tenth of the data. By flexibly combining pretrained predictors with application-oriented masks and custom losses, the same framework supported half-metal design. Such modularity could help researchers and engineers translate diverse application requirements directly into optimized candidate crystals with minimal computational cost.

22.
arXiv (CS.AI) 2026-06-24

DynamicPO: Dynamic Preference Optimization for Recommendation

arXiv:2605.00327v3 Announce Type: replace-cross Abstract: In large language model (LLM)-based recommendation systems, direct preference optimization (DPO) effectively aligns recommendations with user preferences, requiring multi-negative objective functions to leverage abundant implicit-feedback negatives and sharpen preference boundaries. However, our empirical analyses reveal a counterintuitive phenomenon, preference optimization collapse, where increasing the number of negative samples can lead to performance degradation despite a continuously decreasing training loss. We further theoretically demonstrate that this collapse arises from gradient suppression, caused by the dominance of easily discriminable negatives over boundary-critical negatives that truly define user preference boundaries. As a result, boundary-relevant signals are under-optimized, weakening the model's decision boundary. Motivated by these observations, we propose DynamicPO (Dynamic Preference Optimization), a lightweight and plug-and-play framework comprising two adaptive mechanisms: Dynamic Boundary Negative Selection, which identifies and prioritizes informative negatives near the model's decision boundary, and Dual-Margin Dynamic beta Adjustment, which calibrates optimization strength per sample according to boundary ambiguity. Extensive experiments on three public datasets show that DynamicPO effectively prevents optimization collapse and improves recommendation accuracy on multi-negative preference optimization methods, with negligible computational overhead. Our code and datasets are available at https://github.com/xingyuHuxingyu/DynamicPO.

23.
arXiv (CS.LG) 2026-06-15

AcceRL: A Distributed Asynchronous Reinforcement Learning and World Model Framework for Vision-Language-Action Models

arXiv:2603.18464v3 Announce Type: replace Abstract: Reinforcement learning (RL) for large-scale Vision-Language-Action (VLA) models is severely bottlenecked by synchronization barriers and the high cost of environment data acquisition. To overcome these challenges, we propose AcceRL, a distributed asynchronous RL framework that physically isolates environment rollouts, model inference, and gradient updates. By eliminating the cascading long-tail idle bubbles inherent in synchronous systems, AcceRL maximizes hardware utilization and ensures scalable throughput. Furthermore, AcceRL features a modular design that supports the integration of diverse, plug-and-play world models into its distributed pipeline. Extensive experiments demonstrate that the base framework achieves highly competitive performance across all four LIBERO[liu2023libero] task suites. Systematically, the asynchronous architecture delivers a $2.4\times$ throughput speedup over leading synchronous baselines. Algorithmically, by leveraging a world model pre-trained on 1,000 offline trajectories, AcceRL achieves up to a $200\times$ improvement in online sample efficiency on LIBERO-Spatial, establishing a robust framework that is both sample-efficient and time-efficient for embodied AI. Code is included in the supplementary material. Code is available at https://github.com/distanceLu/AcceRL.

24.
bioRxiv (Bioinfo) 2026-06-24

Pharmacological Stratification of Public Bioactivity Databases: A Reusable, OECD-Anchored Curation and Benchmarking Framework Demonstrated for Opioid Receptors

Public bioactivity databases are heterogeneous not only in measurement type, where binding affinities and functional potencies are reported on different scales, but in pharmacology: the same compound and target can carry agonist, antagonist, or inhibitor records measured through binding displacement, cAMP, {beta}-arrestin, or [35S]GTP{gamma}S readouts that quantify different biological events. Pooling these records produces models whose output is detached from any coherent pharmacological claim. Prior work has standardized bioactivity at scale and quantified the noise from mixing measurement types, but pharmacological mechanism and assay-readout class have not been treated as a primary axis of large-scale curation. This study presents an auditable, OECD-anchored framework that stratifies public records by action type and assay readout before modeling, converting heterogeneous data into externally validated, interpretable QSAR tasks that compose with existing standardization resources rather than replacing them. The framework is demonstrated on the four opioid receptors (MOR, DOR, KOR, and nociceptin/orphanin FQ, NOP). Four public sources were reconciled into 72,148 merged records and 50,977 curated measurements spanning 19,585 compounds, each carrying auditable attributes for source agreement, endpoint meaning, pharmacology class, assay readout, and trust tier. Receptor-level binding tasks formed a compact benchmark with strong locked external performance, including KOR pK (R2 = 0.79, n = 798) and DOR pK (R2 = 0.77, n = 736). Pharmacology- and readout-resolved functional endpoints yielded externally validated strata that pooled labels would obscure, including a MOR antagonist functional-inhibition endpoint (R2 = 0.86, n = 110) and agonist potency endpoints for DOR, KOR, and MOR (R2 up to 0.81). Comparison against a fully pooled baseline shows that pooled models either match stratified models on coherent endpoints or reach a deceptively high R2 on functional-IC endpoints by training predominantly on binding-displacement records, so the pooled number predicts affinity rather than functional activity. SHAP attribution indicates that binding and functional potency encode partially distinct structure-activity signals. The dataset contract, not model performance alone, defines the validity and scope of a QSAR claim, and stratification is a precondition for a functional model to support a defensible claim. Curation logic, derived tables, frozen data, and reproducibility artifacts are released.

25.
arXiv (CS.CV) 2026-06-17

See First, Answer Later: Visual Evidence Pre-Alignment via Sufficiency-Driven RL

Multimodal large language models (MLLMs) integrate strong text reasoning with visual inputs, yet their responses can be inconsistent with the underlying images, indicating ineffective utilization of visual evidence during inference. The prevailing training paradigm relies on large-scale caption-based pretraining for general alignment, followed by supervised fine-tuning and reinforcement learning to enable instruction following and complex reasoning. However, such pretraining provides only weak visual grounding: short, coarse captions bias models toward salient objects while neglecting fine-grained visual evidence. In this paper, we introduce Visual Evidence Pre-Alignment (VEPA), an intermediate stage between pretraining and post-training that explores a novel sufficiency-driven objective with Group Relative Policy Optimization (GRPO) to optimize question-conditioned visual evidence descriptions. Extensive experiments across diverse benchmarks show that our VEPA consistently enhances performance on visually demanding evaluations and complements standard supervised post-training. Further analyses show that the income stems from strengthened, transferable visual grounding, rather than from additional task-specific training.