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01.

arXiv (math.PR) 2026-06-16 DOI: arXiv:2604.17253

Large Deviations for the Nonlinear Schrödinger Equation with Randomized Quasi-Periodic Initial Data in Higher Dimensions: Subcritical Case

作者:

Fei Xu↗Yong Li↗

arXiv:2604.17253v2 Announce Type: replace Abstract: We study the cubic weakly nonlinear Schrödinger equation with randomized spatially quasi-periodic initial data in higher dimensions. Under a polynomial decay assumption in Fourier space, we establish a Large Deviations Principle for rogue waves in the so-called subcritical time regime. The proof proceeds in two main steps. We first characterize the distribution of the linear solution and establish the corresponding linear large deviations principle. The lower bound is obtained via pointwise estimates, while the upper bound follows from a combination of truncation and probabilistic arguments. {The method used in this step appears to be new; compare with [GGKS23].} We then perform a detailed combinatorial analysis of the Picard iteration, deriving an effective bound for the Duhamel term and thereby establishing the nonlinear large deviations principle.

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02.

arXiv (CS.LG) 2026-06-16 DOI: arXiv:2505.23593

Federated Foundation Language Model Post-Training Should Focus on Open-Source Models

作者:

Nikita Agrawal↗Ruben Mayer↗

arXiv:2505.23593v4 Announce Type: replace Abstract: Post-training of foundation language models has emerged as a promising research domain in federated learning (FL) with the goal to enable privacy-preserving model improvements and adaptations to user's downstream tasks. Recent advances in this area adopt centralized post-training approaches that build upon black-box foundation language models where there is no access to model weights and architecture details. Although the use of black-box models has been successful in centralized post-training, their blind replication in FL raises several concerns. Our opinion is that using black-box models in FL contradicts the core principles of federation such as data privacy and autonomy. In this paper, we critically analyze the usage of black-box models in federated post-training, and provide a detailed account of various aspects of openness and their implications for FL.

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03.

arXiv (CS.AI) 2026-06-19 DOI: arXiv:2602.00510

PCBSchemaGen: Reward-Guided LLM Code Synthesis for Printed Circuit Boards (PCB) Schematic Design with Structured Verification

作者:

Huanghaohe Zou↗Peng Han↗Emad Nazerian↗Mafu Zhang↗Zhicheng Guo↗Alex Q. Huang↗

arXiv:2602.00510v2 Announce Type: replace Abstract: Most LLM code-synthesis benchmarks rely on unit tests as the reward oracle, but PCB schematic design has none: correctness is defined by structured physical constraints over real IC packages and pin-level assignments, per-task golden references are unavailable, and SPICE simulation does not validate schematic-level correctness. We introduce PCBSchemaGen, a training-free inference-time framework that turns a frozen LLM into a verifiable, repairable PCB schematic generator. The framework induces a domain schema from IC datasheets to ground LLM decoding, pairs it with a deterministic 5-layer continuous-reward verifier with pin-level error localization, and refines candidates through a Thompson Sampling arm-acquiring bandit. We evaluate on 2 PCB benchmarks covering 227 real-IC tasks across 22 unified circuit domains, including a public-schematic-derived suite that serves as a fully held-out generalization test (verifier, KG library, and prompts frozen before any evaluation). Under our framework, an open-weight 31B model (Gemma-4-31B) passes 81.3% of PCBBench tasks on average, and the same framework transfers across both benchmarks with zero verifier code changes; a Circuitron-style inference-time prompting baseline on the same Gemma-4-31B backbone collapses on hard system-level designs. This suggests inference-time refinement under a deterministic structural verifier is a general recipe for reference-free LLM code synthesis in domains without unit-test oracles. Our benchmarks and deterministic verifier are publicly available at https://github.com/HZou9/PCBSchemaGen_v2.

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04.

arXiv (CS.CV) 2026-06-16 DOI: arXiv:2606.15547

EcoBin: A Two-Stage Deep Convolutional Neural Network for Contamination-Aware Waste Classification

作者:

Raghav Senthil Kumar↗

Waste classification models have become highly accurate at sorting waste, often exceeding 95% on benchmark datasets. However, these models fail to account for contamination in recyclable waste. We present EcoBin, a two-stage deep convolutional neural network that classifies household waste by its disposal pathway and that explicitly accounts for contamination. The first stage is a base waste classifier built on an EfficientNetV2-S backbone that assigns each of the thirty waste categories in our dataset to one of four disposal pathways. The second stage is a contamination classifier that inspects any item routed toward recycling and overrides the decision to garbage when contamination is detected. Because no public dataset of contaminated recyclables exists, we synthesize one by segmenting images of clean recyclable objects with a U2-Net model and compositing realistic contamination textures onto their surfaces. The first stage achieves 87.42% test accuracy and a 96.13% pathway-adjusted accuracy. Meanwhile, the contamination stage distinguishes clean from contaminated items with a 0.99 ROC-AUC. On a test set of contaminated recyclables, the complete pipeline routes 24 of 25 items correctly, compared with only 1 of 25 for the base classifier alone. A McNemar's test confirms that the improvement contributed by the contamination stage is statistically significant (p < 0.001).

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05.

arXiv (quant-ph) 2026-06-19 DOI: arXiv:2606.19310

Exclusion Statistics as a Thermodynamic Resource in Quantum Heat Engines

作者:

Sampurna Karmakar↗Aziz Hasan↗Sourin Das↗

arXiv:2606.19310v1 Announce Type: cross Abstract: The maximum power extractable from a quantum thermoelectric heat engine operating with free fermion carriers is bounded by the universal Whitney limit, $P_{fermion}^{\max} \simeq 0.0321\pi^2 k_B^2(T_L-T_R)^2/h$. We demonstrate that this bound is not fundamental to quantum heat engines but is instead an artifact of fermionic statistics. Within the nonlinear Landauer-B\"{u}ttiker framework, a bosonic working medium yields a strictly enhanced universal maximum power, $P_{boson}^{\max} = (\ln 2)^2\, k_B^2(T_L-T_R)^2/h$, exceeding the fermionic limit by a factor of $(\ln 2)^2/(0.0321\pi^2) \approx 1.52$. We propose magnon transport through a ferromagnetic spin chain as an experimentally viable bosonic realization. Incorporating Haldane fractional exclusion statistics with parameter $g$ provides a continuous interpolation between the bosonic ($g = 0$) and fermionic ($g = 1$) limits, revealing a monotonic enhancement of maximum power for $g < 1$ at reduced bias cost. These results establish quantum statistical exclusion as a previously unrecognized and independently tunable thermodynamic resource, opening performance regimes inaccessible to conventional carrier-engineering approaches.

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06.

arXiv (CS.LG) 2026-06-18 DOI: arXiv:2606.18997

DIPHINE: Diffusion-based $\Phi$-ID Neural Estimator

作者:

Simon Pedro Galeano Munoz↗Mustapha Bounoua↗Giulio Franzese↗Pietro Michiardi↗Maurizio Filippone↗

arXiv:2606.18997v1 Announce Type: new Abstract: Uncovering the true informational architecture of real-world complex systems requires disentangling how their components uniquely store, redundantly share, and synergistically integrate information over time. Integrated Information Decomposition ($\Phi$ID) is a framework for decomposing the information dynamics of multivariate systems into sixteen non-overlapping atoms that characterize redundant, unique, and synergistic modes of information storage, transfer, and integration. Existing methods to compute $\Phi$ID are restricted to Gaussian or discrete systems, preventing its application to continuous non-Gaussian dynamical systems. We address this limitation by proposing DIPHINE (Diffusion-based $\Phi$-ID Neural Estimator), the first neural estimator that leverages score-based diffusion models to jointly estimate all the mutual information terms required by $\Phi$ID from a single amortized network, recovering the sixteen atoms through Möbius inversion. We provide a theoretical analysis of error propagation through the inversion, showing that the Jacobian of the mapping from mutual informations to atoms is integer-valued and that the synergy-to-synergy atom is provably the hardest to estimate. We demonstrate accurate recovery of ground-truth atoms on synthetic benchmarks, superior performance compared to established mutual information estimators, and the ability to extract physiologically interpretable information-dynamic structure on an application involving real data without any distributional assumptions.

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07.

arXiv (CS.CL) 2026-06-17 DOI: arXiv:2505.19937

ALAS: An Automatic Latent Alignment Score for Audio Language Models

作者:

Pooneh Mousavi↗Yingzhi Wang↗Mirco Ravanelli↗Cem Subakan↗

Large Language Models (LLMs) are extended into Speech-LLMs, and the quality of the audio–text alignment they learn affects most downstream Spoken Language Understanding (SLU) behavior. Yet despite a growth of fusion strategies, there is no standard way to measure how well a Speech-LLM internally binds audio frames to text tokens. We introduce ALAS (Automatic Latent Alignment Score), a model and task-agnostic metric that probes the LLM's per-layer hidden states, scoring the cross-modal cosine similarity between audio and text representations against a Whisper-derived reference. ALAS needs only a frozen forward pass and an off-the-shelf ASR reference, with no training or fitted classifier, and is calibrated to an interpretable uniform baseline comparable across tasks. Applying ALAS to four open-source Speech-LLMs (AF3, Qwen2-Audio, Qwen-Omni, SALMONN) across emotion recognition (IEMOCAP), open-ended SQA (LibriSQA), and multi-choice audio understanding (MMAU-speech), we find that the depth and strength of alignment reflect each model's audio-encoder design and the acoustic-versus-semantic demands of the task, and that ALAS tracks but does not duplicate task accuracy, exposing models that score well without genuinely grounding in the audio. We release ALAS as an open-source library so that practitioners can probe their own Speech-LLMs or try it on new tasks.

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08.

arXiv (CS.AI) 2026-06-15 DOI: arXiv:2606.14031

Applicability Condition Extraction for Therapeutic Drug-Disease Relations

作者:

Guanting Luo↗Noriki Nishida↗Yuji Matsumoto↗Yuki Arase↗

arXiv:2606.14031v1 Announce Type: new Abstract: Identifying conditions that a certain drug takes therapeutic effect on a target disease is crucial for clinical decision-making support. However, most existing biomedical information extraction methods have focused on identifying only relations between drugs and diseases, while largely overlooking the context-specific conditions where such relations can apply. To address this problem, we introduce the task of applicability condition extraction for therapeutic drug–disease relations from biomedical research literature. We create the first dataset that has manually annotated triples of drugs, diseases, and applicability conditions on biomedical paper abstracts with 1,119 drug-disease pairs. Using this dataset, we systematically evaluate the performance of a range of existing methods. In addition, we propose a new method that enhances LoRA to consider relations between drugs and diseases. Our method consistently outperforms strong baselines across different evaluation settings. The source code and dataset of this paper can be obtained from: https://github.com/guantingluo98/Drug-ACE

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09.

arXiv (CS.AI) 2026-06-18 DOI: arXiv:2606.18304

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

作者:

Yifu Ding↗Jiacheng Wang↗Ge Yang↗Yongcheng Jing↗Jinyang Guo↗Xianglong Liu↗Dacheng Tao↗

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.

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10.

arXiv (CS.AI) 2026-06-16 DOI: arXiv:2606.15888

NVMOS: Non-Verbal Vocalization Quality Assessment in Speech

作者:

Jialong Mai↗Jinxin Ji↗Xiaofen Xing↗Wencui Liu↗Xiangmin Xu↗

arXiv:2606.15888v1 Announce Type: cross Abstract: Non-verbal vocalizations (NVs), such as laughter, sighs, and coughs, are important acoustic cues for emotion and intent. Existing speech quality assessment methods typically focus on overall naturalness, while non-verbal TTS evaluations mainly examine whether a target NV appears with the correct type and position. However, the perceptual quality of NV events themselves remains underexplored. To address this gap, we construct an NV-MOS dataset containing outputs from multiple NV-TTS systems and naturally occurring NV samples, with ratings collected from three acoustic experts on a perceptual quality scale. We further analyze audio-capable multimodal large language models such as Gemini and find clear inconsistencies between their scores and expert ratings. These results suggest that general-purpose multimodal models cannot reliably replace human judgments for NV quality assessment. We then propose NVMOS, to our knowledge the first model that can reliably predict the perceptual quality of NV events in speech. Experimental results show that, with a local NV-event focusing module, NVMOS reaches expert-level or stronger agreement with human MOS.

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11.

arXiv (CS.AI) 2026-06-16 DOI: arXiv:2606.14838

A Definition of Good Explanations and the Challenges Explaining LLM Outputs

作者:

Louis Mahon↗Elliot Ford↗Callum Hackett↗

arXiv:2606.14838v1 Announce Type: new Abstract: How to define a good explanation is a long-standing philosophical debate which has found recent renewed interest in the context of AI outputs. Explainability is crucial for AI adoption in many contexts, but in order to produce good explanations of AI systems, we must first have an understanding of what good explanations are. In this paper we propose a definition inspired by the notion of counterfactual explanations, however we argue that one must also take into account the interlocutor's prior beliefs in each fact that could be offered in an explanation. We explore the ramifications of this definition for AI explainability and, in particular, why LLM outputs are difficult to produce good explanations for.

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12.

arXiv (CS.CV) 2026-06-15 DOI: arXiv:2606.13964

CaricHarmony: Contrastive Diffusion Paths for Identity-Preserving Caricature Synthesis

作者:

Dongyu Wang↗Dar-Yen Chen↗Yi-Zhe Song↗

Sketch-based caricature synthesis suffers from a fundamental failure mode: when identity and shape conditions are combined in diffusion models, they create destructive interference that causes inevitable collapse toward either bland portraits or unrecognizable distortions. We identify the root cause as condition signal contamination – competing probability distributions in the denoising trajectory that make balanced generation impossible. We present CaricHarmony, the first training-free method that explicitly resolves this contamination through parallel uncontaminated diffusion paths. During inference, we maintain three paths: $\mathcal{P}^{\mathrm{i}}$ (pure identity), $\mathcal{P}^{\mathrm{s}}$ (pure shape), and $\mathcal{P}^{\mathrm{i+s}}$ (harmonized output). Novel energy functions operating on cross-attention features provide gradient guidance that steers $\mathcal{P}^{\mathrm{i+s}}$ toward optimal balance: $\mathcal{E}_{\mathrm{shape}}$ ensures sketch fidelity through layout and semantic alignment, while $\mathcal{E}_{\mathrm{id}}$ employs token-level correspondence matching robust to extreme distortions. Unlike DemoCaricature requiring 70 seconds per-identity fine-tuning or CaricatureBooth constrained to Bezier curves, CaricHarmony accepts any sketch format and generates in under 16 seconds. Experiments demonstrate state-of-the-art performance: 0.8615 shape CLIP score (vs. 0.8450) under comparable identity consistency score, with 7.81 overall user preference score (vs. 6.06). Our method fundamentally reconceptualizes the ID-shape conflict as conditioning signal contamination for diffusion models, enabling unprecedented creative control while preserving recognition.

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13.

arXiv (CS.AI) 2026-06-16 DOI: arXiv:2606.15141

EChO-Agent: Evidence Chain Orchestration Agent for Audio Reasoning

作者:

Siyuan Zhang↗Jian Zong↗Junyu Wang↗Peiyuan Jiang↗Jiahao Yan↗Jingyu Zhang↗Tianrui Wang↗Xiaobao Wang↗Longbiao Wang↗Jianwu Dang↗

arXiv:2606.15141v1 Announce Type: cross Abstract: While LALMs show promise on audio question answering, they fail to focus on question-relevant segments of audio and provide a clear, checkable reasoning process when dealing with complex audio reasoning. Reinforcement learning and tool-augmented prompting can help models better relate questions to audio but lack a reliable way to understand, integrate, and self-verify audio segments. To address this gap, we present EChO-Agent, a modular agent framework that reformulates complex audio QA as a planning, tool execution, evidence integration, and answer verification workflow. Experiments on MMAR benchmark show EChO-Agent improves both accuracy and rubric scores over baseline and ablation studies show evidence integration is the key factor.

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14.

arXiv (CS.CL) 2026-06-16 DOI: arXiv:2606.16432

ACCORD: Action-Conditioned Contextual Grounding for Language Agents

作者:

Lai Jiang↗Cheng Qian↗Zhenhailong Wang↗Pan Lu↗Heng Ji↗Hao Peng↗

User instructions are often underspecified because humans rely on implicit assumptions about the surrounding environment. For large language model (LLM) agents operating in information-rich digital and physical environments, these assumptions cannot be inferred from the instruction alone; they must be recovered from the current state of tools, data, interfaces, and observations. Effective execution therefore requires agents to identify missing context, ground it in observed evidence, and carry it forward into subsequent actions. We show that current agents often fail to do so. They act from assumed rather than observed specifics, overlook information they could have gathered, and fail to incorporate evidence that has already been returned. Building on this insight, we propose ACCORD (Action-Conditioned Contextual Grounding), a simple and effective agent framework for adaptive grounding. Before each action, ACCORD actively probes the environment for missing information and integrates relevant context from the agent's trajectory that would otherwise be overlooked. Requiring no additional training or task-success signals, ACCORD improves task-goal completion on AppWorld by up to +20.6 points with GPT-5-mini, from 42.0% to 62.6%, compared to strong baselines. These gains persist with a substantially stronger base model (+10.8 with Claude-4.5-sonnet), an open-weight model (+10.1 with Qwen3.5-27B-FP8), and on the embodied AlfWorld benchmark (+7.4 success rate with GPT-5-mini).

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15.

arXiv (CS.AI) 2026-06-17 DOI: arXiv:2603.25414

Decidable By Construction: Design-Time Verification for Trustworthy AI

作者:

Houston Haynes↗

arXiv:2603.25414v4 Announce Type: replace-cross Abstract: A prevailing assumption in machine learning is that model correctness must be enforced after the fact. We observe that the properties determining whether an AI model is numerically stable, computationally correct, or consistent with a physical domain do not necessarily demand post hoc enforcement. They can be verified at design time, before training begins, at marginal computational cost, with particular relevance to models deployed in high-leverage decision support and scientifically constrained settings. These properties share a specific algebraic structure: they are expressible as constraints over finitely generated abelian groups $\mathbb{Z}^n$, where inference is decidable in polynomial time and the principal type is unique. A framework built on this observation composes three prior results (arXiv:2603.16437, arXiv:2603.17627, arXiv:2603.18104): a dimensional type system carrying arbitrary annotations as persistent codata through model elaboration; a program hypergraph that infers Clifford algebra grade and derives geometric product sparsity from type signatures alone; and an adaptive domain model architecture preserving both invariants through training via forward-mode coeffect analysis and exact posit accumulation. We believe this composition yields a novel information-theoretic result: Hindley-Milner unification over abelian groups computes the maximum a posteriori hypothesis under a computable restriction of Solomonoff's universal prior, placing the framework's type inference on the same formal ground as universal induction. We compare four contemporary approaches to AI reliability and show that each imposes overhead that can compound across deployments, layers, and inference requests. This framework eliminates that overhead by construction.

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16.

arXiv (CS.LG) 2026-06-16 DOI: arXiv:2606.15784

Bayesian Networks with Latent Time Embedding for Stage-Aware Causal Modeling of Alzheimer's Disease Progression

作者:

Nguyen Linh Dan Le↗

arXiv:2606.15784v1 Announce Type: new Abstract: Alzheimer's disease (AD) progression is often described through the amyloid-tau-neurodegeneration, or AT(N), cascade. However, most longitudinal models represent this cascade either as a fixed sequence of biomarkers or as a black-box forecasting task. This makes it difficult to determine when biologically guided biomarker relationships influence future regional pathology. In this study, we introduce Bayesian Networks with Latent Time Embedding (BN-LTE), a Bayesian structural framework for stage-aware modeling of AD progression. BN-LTE estimates disease pseudotime from baseline biomarker profiles and constrains directed dependencies according to biologically plausible AT(N) ordering. Posterior spline-varying structural equations are then used to link initial multimodal measurements with future annualized regional tau-PET change. Across repeated subject-disjoint evaluations using ADNI data, BN-LTE shows strong spatial reconstruction of tau progression compared with the included forecasting baselines. Beyond spatial reconstruction, BN-LTE recovers posterior stage-varying AT(N)-constrained effects and identifies a mid-pseudotime window of amyloid sensitivity. This window is supported by model-implied g-formula contrasts, root-adjusted AIPW, mechanism-sensitive ablations, and robustness analyses across spline and prior specifications. Overall, these findings position BN-LTE as a Bayesian structural framework for forecasting tau progression while examining stage-dependent AT(N)-cascade mechanisms in observational longitudinal neuroimaging data. Our code is available at https://github.com/danleneurocom/BN-LTE.

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17.

arXiv (CS.LG) 2026-06-15 DOI: arXiv:2511.19656

Lower Complexity Bounds for Nonconvex-Strongly-Convex Bilevel Optimization with First-Order Oracles

作者:

Kaiyi Ji↗

arXiv:2511.19656v3 Announce Type: replace Abstract: Although upper bound guarantees for bilevel optimization have been widely studied, progress on lower bounds has been limited due to the complexity of the bilevel structure. In this work, we focus on the smooth nonconvex-strongly-convex setting and develop new hard instances that yield nontrivial lower bounds under deterministic and stochastic first-order oracle models. In the deterministic case, we prove that any first-order zero-respecting algorithm requires at least $\Omega(\kappa^{3/2}\epsilon^{-2})$ oracle calls to find an $\epsilon$-accurate stationary point, improving the optimal lower bounds known for single-level nonconvex optimization and for nonconvex-strongly-convex min-max problems. In the stochastic case, we show that at least $\Omega(\kappa^{5/2}\epsilon^{-4})$ stochastic oracle calls are necessary, again strengthening the best known bounds in related settings. Our results expose substantial gaps between current upper and lower bounds for bilevel optimization and suggest that even simplified regimes, such as those with quadratic lower-level objectives, warrant further investigation toward understanding the optimal complexity of bilevel optimization under standard first-order oracles.

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18.

arXiv (CS.CV) 2026-06-15 DOI: arXiv:2606.14024

ViT-Up: Faithful Feature Upsampling for Vision Transformers

作者:

Krispin Wandel↗Jingchuan Wang↗Hesheng Wang↗

Vision Transformers (ViTs) have become a dominant architecture for visual representation learning, providing exceptionally strong and broadly reusable backbone features. However, ViTs are commonly operated on relatively small patch-token grids due to the quadratic cost of global self-attention, which creates a persistent bottleneck for dense prediction tasks such as semantic segmentation and depth estimation. This has motivated the development of task-agnostic feature upsamplers. While recent state-of-the-art methods produce visually sharp dense representations, their reliance on shallow image encoders for guided upsampling can introduce feature leakage, fragmentation, and blur. We introduce ViT-Up, an implicit feature upsampling framework that replaces external image guidance with layer-wise query construction from intermediate ViT hidden states. This enables feature prediction at arbitrary continuous image coordinates while preserving alignment with the backbone feature space. Experiments demonstrate that ViT-Up consistently outperforms state-of-the-art image-guided upsamplers across dense prediction and semantic correspondence. On DINOv3-S+, ViT-Up improves over prior methods by up to +2.07 mIoU on Cityscapes and +4.17 PCK@0.10 on SPair-71k. With the larger DINOv3-B backbone, these gains increase to +3.36 mIoU and +8.09 PCK@0.10, demonstrating that ViT-Up scales favorably with backbone capacity.

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19.

arXiv (CS.AI) 2026-06-18 DOI: arXiv:2606.19152

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

作者:

Zongmin Zhang↗Yuyang Lou↗Bowen Zhang↗Junwu Chen↗Ryo Kuroki↗Xuan Vu Nguyen↗Edvin Fako↗Lixue Cheng↗Philippe Schwaller↗

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.

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20.

arXiv (CS.CL) 2026-06-12 DOI: arXiv:2605.22641

More Context, Larger Models, or Moral Knowledge? A Systematic Study of Schwartz Value Detection in Political Texts

作者:

V\'ictor Yeste↗Paolo Rosso↗

Detecting Schwartz values in political text is difficult because implicit cues often depend on surrounding arguments and fine-grained distinctions between neighboring values. We study when context and explicit moral knowledge help sentence-level value detection. Using the ValuesML/Touché ValueEval format, we compare sentence, window, and full-document inputs; no-RAG and retrieval-augmented settings with a curated moral knowledge base; supervised DeBERTa-v3-base/large encoders; and zero-shot LLMs from 12B to 123B parameters. The results show that more context is not uniformly better: full-document context improves supervised DeBERTa encoders by 3.8-4.8 macro-F1 points over sentence-only input, but does not consistently help zero-shot LLMs. Retrieved moral knowledge is more consistently useful in matched comparisons, improving each tested model family and context condition under early fusion. However, scaling from DeBERTa-v3-base to large and from 12B to larger LLMs does not guarantee gains, and simple early fusion outperforms the tested late-fusion and cross-attention RAG variants for encoders. Per-value analyses show that context and retrieval help most for socially situated or conceptually confusable values. These findings suggest that value-sensitive NLP should evaluate context, knowledge, and model family jointly rather than treating longer inputs or larger models as universal improvements.

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21.

arXiv (CS.CL) 2026-06-18 DOI: arXiv:2606.18587

Dual Dimensionality for Local and Global Attention

作者:

Zhiyuan Wang↗Xuan Luo↗Sirui Zeng↗Xifeng Yan↗

Decoder-only Transformers compute attention over the KV cache of preceding tokens. Keys (and Values) are typically represented with the same dimensionality, regardless of its distance from the prediction target. In natural language, however, the next word is most strongly influenced by the immediately preceding tokens. We hypothesize that local and distant tokens impose asymmetric demands on representational capacity: local tokens are more critical for predicting immediate outputs and thus require richer representations, whereas distant tokens primarily serve as long-range memory, for which lower-dimensional representations may suffice. We formalize this idea as Distance-Adaptive Representation (DAR), implemented in a controlled setting that preserves full-dimensional representations within a local context window while assigning reduced-dimensional representations (e.g. 1/4 of the original dimensionality) to tokens beyond that window. Across multiple pretraining scales (70M to 410M parameters), as well as continued supervised fine-tuning on a 1B-scale model, this approach closely matches the performance of full-dimensional baselines. In contrast, uniformly reducing dimensionality across all token positions leads to worse performance. These results challenge the common assumption that key and value dimensionality should be uniform across token positions. Our findings suggest a new direction for designing attention architectures that adaptively allocate representational capacity across sequences, enabling further reductions in KV cache during inference.

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22.

arXiv (CS.CL) 2026-06-11 DOI: arXiv:2606.11502

When Roleplaying, Do Models Believe What They Say?

作者:

Benjamin Sturgeon↗David Africa↗Sid Black↗

Language models can state that "the Earth orbits the Sun" and, when role-playing Aristotle, assert the opposite. Recent work argues that persona adoption is fundamental to how language models operate, with models constantly selecting the most appropriate persona for a given context. Does such role-playing merely change the model's outputs, or does it also affect what the model internally represents as truthful? We study this question with linear truth probes, applying them to LLMs role-playing historical personas whose likely beliefs differ from modern consensus. For each persona, we compare false claims the persona would likely have endorsed (*era-believed*) with topic-matched false claims they would not have endorsed (*era-false*). Across prompting, in-context learning, and supervised fine-tuning, persona induction suppresses era-believed statements less than equally false alternatives, yet they remain classified as false overall. Role-play therefore shifts what these models say more than what they internally represent as true. We contrast this with models trained on harmful advice that exhibit Emergent Misalignment (EM). Across three model families (Qwen 2.5 14B, Qwen 3 8B, and Llama 3.3 70B), their false claims move substantially toward the true region of probe space, are defended under challenge roughly half the time versus about a sixth for role-play, and are used in downstream reasoning. Role-play and Emergent Misalignment thus are points on a spectrum of belief internalization, where role-play changes what a model says with little representational change, while Emergent Misalignment shifts the internal representation of false claims without fully marking them as true.

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23.

arXiv (quant-ph) 2026-06-11 DOI: arXiv:2606.11478

PHASE: Pauli Hierarchical Assembly on Subdivided Elements for Quantum-Compatible Operator Synthesis

作者:

Tillman Philo↗Caglar Oskay↗

arXiv:2606.11478v1 Announce Type: new Abstract: Efficiently decomposing finite element stiffness matrices into the Pauli basis is challenging due to the exponential growth of Pauli strings with problem size. A naive Pauli expansion requires $\Theta(8^{\lceil \log_2 N \rceil})$ operations, where $N$ denotes the number of degrees of freedom, rendering direct decomposition infeasible for large systems. Existing approaches exploit algebraic sparsity or operator structure but do not incorporate the geometric organization intrinsic to finite element discretizations, and consequently exhibit poor scaling for stiffness matrices. To address this problem, we introduce PHASE, a hierarchical, geometry-aware Pauli decomposition algorithm that leverages recursive mesh partitioning to organize element contributions across multiple spatial scales. PHASE employs a hybrid strategy that combines full- and reduced-space Tensorized Pauli Decomposition with Fast Walsh-Hadamard Transform-based aggregation to assemble global Pauli coefficients efficiently. We show that this approach yields a dimension-dependent reduction in the exponential scaling exponent of Pauli assembly asymptotic complexity relative to existing methods, reducing the cost from $2^{2{\lceil \log_2 N \rceil}}$ to $2^{\gamma_d{\lceil \log_2 N \rceil}}$ with $\gamma_d < 2$ under standard mesh regularity and balanced partition assumptions. These results substantially improve the feasibility of quantum-compatible operator synthesis for large-scale finite element models.

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24.

arXiv (CS.LG) 2026-06-12 DOI: arXiv:2606.12694

A unified complexity bound for logconcave sampling

作者:

Yunbum Kook↗Santosh S. Vempala↗

arXiv:2606.12694v1 Announce Type: cross Abstract: We give a simple, unified, and nearly tight bound for sampling arbitrary logconcave distributions from a warm start using the In-and-Out algorithm along with exponential lifting. The main new ingredient in the analysis is an improved bound on the Poincaré constant of a lifted distribution. As a consequence, the resulting convergence rate is nearly tight for both constrained settings (e.g., Gaussian restricted to a convex body) and well-conditioned settings (e.g., strongly logconcave and smooth densities).

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25.

arXiv (CS.AI) 2026-06-18 DOI: arXiv:2606.18820

Maturing Markov Decision Processes: Decision Making under Increasing Information and Shrinking Action Sets

作者:

Jiaxi Liu↗Aiping Yang↗Yuhang Yang↗Shuqi Zhang↗Zewei Dong↗Jiangming Yang↗Xuebin Chen↗

arXiv:2606.18820v1 Announce Type: cross Abstract: Sequential decision problems often exhibit an asymmetric evolution of information and decision flexibility: as a decision cycle unfolds, the agent receives richer information while feasible actions expire due to operational cutoffs, commitments, or resource constraints. Standard MDP formulations typically flatten this structure into stage-dependent state descriptions and action masks, thereby obscuring the nested information–action asymmetry that determines which decisions are urgent and which can be deferred. We introduce Maturing Markov Decision Processes (MMDPs), a formulation built around this information–action asymmetry. We characterize one of its key consequences through an expiring-action priority principle, which identifies the actions that must be resolved before the next stage. Motivated by this structure, we develop a structure-aware reinforcement learning framework with stage-aware policy design, expiring-action abstraction, and search-augmented learning with distillation. Experiments on a controlled multi-supplier replenishment problem, simplified cash-management environments of increasing complexity, and a production-scale simulator show that explicitly modeling this asymmetry improves learning efficiency and becomes increasingly valuable as decision problems scale.

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