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

Reliability of Probabilistic Emulation of Physical Systems

作者:
Sam F. Greenbury↗Radka Jersakova↗Paolo Conti↗Marjan Famili↗Christopher Iliffe Sprague↗Edwin Brown↗Jason D. McEwen↗

arXiv:2606.12997v1 Announce Type: new Abstract: Two dominant approaches have emerged for generating probabilistic forecasts of physical systems: generative models, such as diffusion or flow matching; and ensembles of deterministic models with stochasticity injected, trained using the continuous ranked probability score (CRPS) loss. While both approaches have demonstrated strong predictive accuracy, the reliability of their uncertainties has not been systematically assessed. We address this gap by developing a framework to evaluate both approaches across diverse 2D spatiotemporal physical systems, under matched model size and computational budget. We assess the reliability of probabilistic emulation by inspecting the empirical coverage of predictive intervals, while also considering accuracy and computational efficiency metrics. CRPS-trained ensembles typically achieve more reliable uncertainties on both single-step prediction and autoregressive rollouts, demonstrating better coverage than the standard alternative of training generative models in a latent space. Moreover, the CRPS approach offers significantly faster inference. When generative models are trained in ambient rather than a compressed latent space, which is often infeasible for high-dimensional problems, they exhibit comparable coverage to CRPS-trained ensembles, though with substantially larger inference latency. In contrast, when CRPS-trained ensembles are trained in latent space they do not show a marked degradation in coverage with respect to ambient space. Both generative models and CRPS-trained ensembles demonstrate good predictive accuracy. To facilitate future research and application, we release AutoCast, a modular framework implementing both generative models and CRPS-trained ensembles, alongside AutoSim, a flexible dataset generation package for rapid prototyping.

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03.
arXiv (CS.AI) 2026-06-24

DTT-BSR+: A Generative-Regression Cascade for Music Source Restoration

作者:
Youran Ni↗Shihong Tan↗Yuzhu Wang↗Gongping Huang↗

arXiv:2606.24127v1 Announce Type: cross Abstract: Music source restoration (MSR) requires jointly addressing source unmixing and the inversion of non-linear production effects. Current methods struggle to achieve accurate target signal reconstruction while maintaining semantic consistency. To address this limitation, we propose DTT-BSR+, a two-stage cascade MSR system that decouples distribution fitting from signal reconstruction into separate stages. A generative DTT-BSR separator in the first stage produces stems matching the prior of clean sources, and a modified Demucs network in the second stage enhances the first stage output using time-domain and multi-resolution spectral losses. DTT-BSR+ improves multi-mel signal-to-noise ratio (MMSNR) over the single-stage DTT-BSR across all stems, and surpasses the state-of-the-art X-LANCE MSR system on five stems. We also reveal through Fréchet Audio Distance (FAD) decomposition an implicit trade-off between signal reconstruction accuracy and semantic distribution fitting across stems.

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04.
arXiv (quant-ph) 2026-06-25

Wide-field NV magnetometry under simultaneous high-pressure and high-temperature conditions

作者:
Masahiro Ohkuma↗Eikichi Kimura↗Shumpei Ohyama↗Miu Tezuka↗Ryo Matsumoto↗Shinobu Onoda↗Yoshihiko Takano↗Shintaro Azuma↗Kenji Ohta↗Keigo Arai↗

arXiv:2606.25378v1 Announce Type: cross Abstract: We demonstrate wide-field optically detected magnetic resonance (ODMR) under simultaneous high-pressure and high-temperature conditions using nitrogen-vacancy (NV) centers. Although NV-center magnetometry has been widely used for spatially resolved magnetic-field imaging, its application to extreme environments combining pressure and temperature remains challenging. In this work, we show that ODMR can be observed at 5 GPa and 500 K, demonstrating the feasibility of NV spin readout under such combined extreme conditions. We further perform wide-field ODMR of iron at 7 GPa and 500 K, where the stray magnetic field from the sample is spatially visualized through the pressure cell. These results establish NV-center magnetometry as a promising platform for imaging magnetic phenomena in materials under high-pressure and high-temperature environments.

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

Not What, But How: A Framework for Auditing LLM Responses across Positioning, Generalization, Anthropomorphism, and Maxims

作者:
Siddhesh Milind Pawar↗Sarah Masud↗Haneul Yoo↗Alice Oh↗Isabelle Augenstein↗

Large language models (LLMs) are being increasingly used to answer subjective, information-seeking questions, where users are sensitive to how responses are communicated, not just whether the answers are correct. Existing LLM evaluations for subjective cultural queries largely focus on factual correctness, ignoring how the response is framed. To this end, we introduce FRANZ, an automated FRAmework for respoNse characteriZation to conduct communicative audit of LLM responses along four dimensions: cultural positioning, use of generalizing language, anthropomorphic cues, and adherence to conversational maxims. To enable this evaluation, we contribute SQUARE - a corpus of 376k subjective questions sourced from 57 subreddits, and mapped to 7 countries and 19 question categories. We demonstrate FRANZ's applicability by scoring responses from three open-weight LLMs. We observe that LLMs show statistically significant differences in the frequency with which they employ each response characteristic. Unlike single-dimensional audits, FRANZ reveals that insider positioning and anthropomorphism are positively coupled, with the degree of coupling varying by country, providing a diagnostic lens for identifying framing divergences.

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

Analyzing Defensive Misdirection Against Model-Guided Automated Attacks on Agentic AI Systems

作者:
Reza Soosahabi↗Vivek Namsani↗

arXiv:2606.20470v1 Announce Type: cross Abstract: Agentic AI systems increasingly rely on language-model components to interpret instructions, process external data, invoke tools, and coordinate with other agents. These capabilities make prompt-injection and jailbreak attacks more consequential, especially as attackers adopt model-guided automation to scale probing, prompt refinement, and response evaluation. This work analyzes the resulting attack-defense setting through a probabilistic model of a target system, its defense mechanism, and the attacker's automated judge. Our analysis shows that conventional detect-and-block defenses can allow attacker success rate (ASR) to approach one as the query budget grows, since predictable refusals provide useful feedback to automated search. We then examine detect-and-misdirect, where detected malicious interactions receive controlled, non-operational responses designed to induce false-positive errors in the attacker's judge. This strategy reduces the positive predictive value of attacker-selected candidates and yields a bounded asymptotic ASR. We evaluate a proof-of-concept realization of this strategy through Contextual Misdirection via Progressive Engagement (CMPE), a lightweight conversational misdirection method designed to replace predictable refusal text with safe but strategically misleading responses in automated jailbreak settings. On jailbreak benchmarks, CMPE reduces estimated ASR upper bounds by up to two orders of magnitude and nearly eliminates verified attack success in end-to-end PAIR and GPTFuzz attack runs.

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07.
arXiv (CS.CL) 2026-06-12

Emergence of Hierarchical Emotion Organization in Large Language Models

作者:
Maya Okawa↗Bo Zhao↗Eric J. Bigelow↗Rose Yu↗Tomer Ullman↗Ekdeep Singh Lubana↗Hidenori Tanaka↗

As large language models (LLMs) increasingly power conversational agents, understanding how they model users' emotional states is critical for ethical deployment. Inspired by emotion wheels, i.e., a psychological framework that argues emotions organize hierarchically, we analyze probabilistic dependencies between emotional states in model outputs. We find that LLMs naturally form hierarchical emotion trees that align with human psychological models, and larger models develop more complex hierarchies. We also uncover systematic biases in emotion recognition across socioeconomic personas, with compounding misclassifications for intersectional, underrepresented groups. Human studies reveal striking parallels, suggesting that LLMs internalize aspects of social perception. Beyond highlighting emergent emotional reasoning in LLMs, our results hint at the potential of using cognitively-grounded theories for developing better model evaluations.

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08.
arXiv (CS.LG) 2026-06-11

Machine-learning clustering of close-in exoplanet populations: links to pebble accretion

作者:
Yi Duann↗Anders Johansen↗Haiyang S. Wang↗H. Jens Hoeijmakers↗

arXiv:2606.11737v1 Announce Type: cross Abstract: Close-in exoplanets exhibit a wide range of orbital architectures and physical properties shaped by both formation conditions and migration processes. Although population-synthesis models predict distinct planetary populations, establishing a quantitative connection between observed exoplanets and synthetic populations remains challenging. We investigate the intrinsic organisation of close-in exoplanets using physically motivated dynamical parameters and connect the resulting populations to pebble-accretion formation pathways. A two-stage Gaussian mixture model (GMM) is applied to an observed sample of close-in exoplanets, performing unsupervised probabilistic clustering in a feature space dominated by dynamical descriptors of planet-star interactions. The resulting clusters are mapped onto a pebble-accretion synthetic population within a statistically motivated three-dimensional parameter space. Formation-related quantities, including gas availability, gas fraction, and ice-rock mass ratio, are then used to interpret the mapped populations. We identify statistically supported sub-populations without imposing predefined classification boundaries, including very-massive gas giants, hot giants, warm-Jupiter-dominated systems, and lower-mass giants. The mapped synthetic populations reveal systematic differences in formation timing, gas accretion, and solid growth histories. In particular, very-massive gas giants are preferentially associated with earlier formation epochs than hot-giant and warm-Jupiter-dominated populations. These results demonstrate that physically motivated machine-learning approaches can provide a statistically robust framework for linking observed exoplanet populations to theoretical planet formation pathways.

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09.
medRxiv (Medicine) 2026-06-15

ICD-10 Code Ambiguity Obscures Treatment-Eligible Adults with Spinal Muscular Atrophy: A Single-Center Chart Review and Patient Outreach Study

作者:
Holly↗Bean↗Beshay↗Edwards↗Streicher↗N. S↗

Background. Three disease-modifying therapies (DMTs) for spinal muscular atrophy (SMA) have been approved since 2016, yet many adults remain untreated. Identifying them depends on ICD-10 codes that capture SMA but do not reliably distinguish it from other related conditions. We examined, in one U.S. health system, both patients' engagement with therapy and the accuracy of the codes used to find them. Methods. We conducted a retrospective chart review of adults in an academic health system identified by SMA-associated ICD-10 codes, with manual adjudication of diagnosis and DMT status. Confirmed SMA-positive, DMT-naive patients were invited to a structured telephone interview on treatment awareness and barriers. Results. Of 60 charts, 22 (36.7%; 95% CI 25.6-49.3%) were appropriately coded for SMA or a related disorder; only 16 (26.7%) had molecularly confirmed SMA. The other 38 (63.3%) were miscoded, spanning spinal and bulbar muscular atrophy, asymptomatic carriers, prenatal screening, and conditions unrelated to SMA. Ten of the 16 confirmed patients (62.5%) were DMT-naive; one was interviewed, one declined, and eight could not be reached. The non-response is itself a finding: the patients least visible to administrative data are the hardest to reach. Conclusions. ICD-10 ambiguity is a barrier to treatment access in adult SMA, as is loss to follow-up. We make two recommendations: continuous documentation-coding alignment that uses natural language processing to verify the genetic precondition, and type-specific SMA codes (subcodes for Types 0-4) anchored on molecular SMN1 confirmation. Together these would support cohort identification, outreach, and evidence generation without adding to clinician burden.

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10.
arXiv (CS.LG) 2026-06-12

Robust State-Conditional Feature-Weighted Jump Models for Temporal Clustering

作者:
Federico P. Cortese↗Alessio Farcomeni↗

arXiv:2606.13146v1 Announce Type: cross Abstract: We propose a robust feature-weighted jump model for time-dependent clustering. A penalty is used to encourage smoothness of transitions over time, while robustness is achieved through the use of a Tukey's biweight loss function. An additional parameter controls the variability of feature weights across states, allowing the model to assign state-specific relevance to each feature. We illustrate in simulation how the method accurately recovers the true cluster sequence and reliably identifies relevant features, outperforming competing approaches, particularly in the presence of outliers. We conclude with two empirical applications, one on the number of conflict-related homicides in Kosovo in the period 1998-2000, and another on macroeconomic performance of twelve European countries in the period 1949-2024.

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11.
arXiv (CS.AI) 2026-06-12

ARMOR-MAD: Adaptive Routing for Heterogeneous Multi-Agent Debate in Large Language Model Reasoning

作者:
Fuqiang Niu↗Bowen Zhang↗

arXiv:2606.13197v1 Announce Type: new Abstract: Multi-agent debate (MAD) can improve large language model reasoning, but fixed debate pipelines often waste computation and can amplify correlated errors among similar agents. We propose ARMOR-MAD, a training-free heterogeneous MAD framework that treats debate as conditional computation. ARMOR-MAD combines three components: Pre-debate Agreement Routing (PAR) decides whether independently generated Round-0 answers require debate; Early Agreement Stopping Evaluator (EASE) stops debate after convergence; and Semantic Outlier Detection (SOD) down-weights abnormal final answers during aggregation. Across MATH Level 5, GSM8K, MMLU, and MMLU-Pro, ARMOR-MAD consistently improves over fixed-round heterogeneous debate with the same model pool, reaching 65.5\%, 96.5\%, 90.0\%, and 81.5\% accuracy, respectively. The results suggest that genuine model heterogeneity and agreement-based control are both important for making MAD more accurate and efficient.

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12.
arXiv (CS.AI) 2026-06-19

Measuring Curriculum Alignment across Topical Coverage, Competency, and Cognitive Depth: A Longitudinal Framework Applied to CS2013 and CS2023

作者:
Sherzod Turaev↗Mary John↗Saja Aldabet↗Mamoun Awad↗Nazar Zaki↗Khaled Shuaib↗

arXiv:2606.19469v1 Announce Type: new Abstract: Undergraduate computer science is governed by international curricular guidelines revised about once a decade, yet programs lack a reliable, reproducible way to measure how completely they cover the current guidelines and how that coverage shifts when the guidelines are restructured. We address this with a human-in-the-loop pipeline that measures a program's coverage of an external body of knowledge, applied longitudinally to one accredited BSc in Computer Science against Computer Science Curricula 2013 (CS2013) and 2023 (CS2023). The pipeline represents the program and each guideline as structured corpora, generates candidate course-to-knowledge-unit matches by semantic retrieval, and confirms them through human judgment under an explicit coverage definition. Of seven benchmarked retrievers, a reciprocal-rank-fusion ensemble was strongest, and a reputed long-context model underperformed a small sentence model, so retriever choice must be measured. Both maps were validated by an independent second rater (Cohen's kappa 0.64 for CS2023, 0.69 for CS2013). The program covers 49.7% of CS2023 and 50.9% of CS2013 knowledge units, near-constant across a decade. Extending the same retrieve-then-confirm design to competency articulation and cognitive depth shows that the program articulates the competency for ~88% of covered units under each guideline, yet delivers it at the recommended depth for 76% of present units under CS2023 against 95% under CS2013, a gap reflecting the newer guideline's raised expectations, not the program. The longitudinal comparison separates persistent structural gaps (parallel and distributed computing, foundations of programming languages, systems fundamentals), uncovered against both guidelines and ABET, from differences that reflect the standard's evolution. The instrument is reusable and available from the authors on request.

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

VGGHeads: 3D Multi Head Alignment with a Large-Scale Synthetic Dataset

作者:
Orest Kupyn↗Eugene Khvedchenia↗Christian Rupprecht↗

Human head detection, keypoint estimation, and 3D head model fitting are essential tasks with many applications. However, traditional real-world datasets often suffer from bias, privacy, and ethical concerns, and they have been recorded in laboratory environments, which makes it difficult for trained models to generalize. Here, we introduce \method – a large-scale synthetic dataset generated with diffusion models for human head detection and 3D mesh estimation. Our dataset comprises over 1 million high-resolution images, each annotated with detailed 3D head meshes, facial landmarks, and bounding boxes. Using this dataset, we introduce a new model architecture capable of simultaneous head detection and head mesh reconstruction from a single image in a single step. Through extensive experimental evaluations, we demonstrate that models trained on our synthetic data achieve strong performance on real images. Furthermore, the versatility of our dataset makes it applicable across a broad spectrum of tasks, offering a general and comprehensive representation of human heads.

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

SAMTok: Representing Any Mask with Two Words

作者:
Yikang Zhou↗Tao Zhang↗Dengxian Gong↗Yuanzheng Wu↗Ye Tian↗Haochen Wang↗Haobo Yuan↗Jiacong Wang↗Lu Qi↗Hao Fei↗Anran Wang↗Zhuochen Wang↗…

Pixel-wise capabilities are essential for building interactive intelligent systems. However, pixel-wise multi-modal LLMs (MLLMs) remain difficult to scale due to complex region-level encoders, specialized segmentation decoders, and incompatible training objectives. To address these challenges, we present SAMTok, a discrete mask tokenizer that converts any region mask into two special tokens and reconstructs the mask using these tokens with high fidelity. By treating masks as new language tokens, SAMTok enables base MLLMs (such as the QwenVL series) to learn pixel-wise capabilities through standard next-token prediction and simple reinforcement learning, without architectural modifications and specialized loss design. SAMTok builds on SAM2 and is trained on 209M diverse masks using a mask encoder and residual vector quantizer to produce discrete, compact, and information-rich tokens. With 5M SAMTok-formatted mask understanding and generation data samples, QwenVL-SAMTok attains state-of-the-art or comparable results on region captioning, region VQA, grounded conversation, referring segmentation, scene graph parsing, and multi-round interactive segmentation. We further introduce a textual answer-matching reward that enables efficient reinforcement learning for mask generation, delivering substantial improvements on GRES and GCG benchmarks. Our results demonstrate a scalable and straightforward paradigm for equipping MLLMs with strong pixel-wise capabilities. Our code and models are available.

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

Running the Gauntlet: Re-evaluating the Capabilities of Agents Beyond Familiar Environments

作者:
Mykola Vysotskyi↗Runqi Lin↗Grzegorz Biziel↗Michal Zakrzewski↗Sebastian Montagna↗Damian Rynczak↗Shreyansh Padarha↗Kumail Alhamoud↗Zihao Fu↗William Lugoloobi↗Kai Rawal↗Hanna Yershova↗…

arXiv:2606.14397v1 Announce Type: new Abstract: As agentic systems continue to evolve and are widely deployed in real-world scenarios, there is a growing demand to faithfully evaluate their capabilities. However, current benchmarks are typically built on popular applications with relatively simple tasks and focus on a narrow set of capabilities while overlooking broader dimensions, resulting in saturated performance on modern agents and failing to probe their limitations. To this end, we introduce GauntletBench, a web-based benchmark for evaluating agent generalisation in challenging scenarios, focusing on three underexplored capabilities (temporal perception, graphical understanding, and 3D reasoning), across five less-covered professional applications (Video Editor, Workflow Builder, 3D Modeller, Flight Analyser, and Circuit Designer), each with 20 vision-intensive tasks (100 in total). Our benchmark provides a modular pipeline that comprises an environment compatible with both open- and closed-source agent frameworks, a controlled web-based application, a well-structured task suite, and an automated evaluation engine with diverse metrics. Contrary to widespread expectations, our empirical results reveal that frontier agentic systems remain far from achieving human-level performance. Even the state-of-the-art agent achieves only a 19.1% success rate on our GauntletBench, highlighting the limitations in these overlooked capabilities and generalisation. By comparison, non-expert human annotators achieve over 80% success on our challenging yet feasible tasks, revealing the substantial gap between current agent capabilities and those required for complex real-world scenarios.

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16.
PLOS Computational Biology 2026-06-05

Heuristic multi-site optimization for protein sequence design using Masked Protein Language Models

作者:
Lijuan Wang↗

by Lijuan Wang, Yuze Wang, Chen Qiu, Liwei Xiao, Xianliang Liu, Junjie Chen Protein sequence design for tailored functional properties is a fundamental task in protein engineering, with critical applications in drug discovery and therapeutic development. Efficient navigation of the combinatorial vastness of protein sequence space to identify functional variants remains a formidable challenge. Conventional approaches, which predominantly rely on template-based local search or single-residue mutagenesis, are constrained by their susceptibility to local optima and their potential risk of destabilizing native structural stability. In this study, we introduce ProtHMSO, a heuristic multi-site optimization framework leveraging masked protein language models (ProtLMs) for context-aware sequence exploration. ProtHMSO mimics natural evolutionary mechanisms by employing ProtLM-derived substitution probabilities to guide heuristic searches for synergistic mutations, thereby constraining combinatorial search spaces through evolutionary and biophysical priors. ProtHMSO is further applied to replace the exploration strategies in genetic algorithms (GAs) and Monte Carlo tree search (MCTS) for improving their convergence efficiency. Benchmark experiments demonstrate that protein sequences generated by ProtHMSO exhibit superior functional performance and closer alignment with natural sequence distribution, compared with state-of-the-art methods. These advancements highlight that ProtHMSO has strong potential and compatibility to accelerate functional protein discovery, offering a robust framework for efficient and context-aware exploration of protein sequence space.

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

TL++: Accuracy and Privacy Preserving Traversal Learning for Distributed Intelligent Systems

作者:
Erdenebileg Batbaatar↗Young Yoon↗

arXiv:2606.25627v1 Announce Type: cross Abstract: Distributed intelligent systems increasingly need to train across data silos without centralizing raw data. Federated learning keeps data local but can suffer under heterogeneous partitions and requires repeated full-model exchange. Split learning reduces communication through cut-layer activations, but standard protocols generally do not recover centralized mini-batch gradient behavior and may expose activations and gradients in plaintext. We present TL++, a two-mode traversal-learning framework that constructs virtual batches across nodes to recover centralized mini-batch gradient behavior under explicit synchronization assumptions. Base mode exchanges cut-layer activations and gradients rather than full models. Secure mode secret-shares each cut-layer activation and gradient between an orchestrator and a non-colluding helper, preventing either server from observing plaintext cut-layer tensors. This protection is limited to a semi-honest two-server setting; labels and loss-related outputs remain visible to the orchestrator. In the lightweight secure path evaluated here, exactness requires a linear or affine server path, while nonlinear operations require nonlinear MPC or approximation. We formalize TL++, analyze communication and computation costs, and evaluate it against federated and split-learning baselines on CIFAR-10 and BioGPT/PubMedQA using full fine-tuning and LoRA. On CIFAR-10, TL++ base cut 1 and exact secure cut 3 achieve accuracies of 91.41% (SD 0.19) and 90.93% (SD 0.17), respectively, exceeding the strongest measured non-TL++ baseline by more than 12 percentage points. TL++ base cut 1 also reduces per-step communication by 13.1-fold relative to full-model synchronization. PubMedQA results similarly favor TL++. Overall, TL++ approaches centralized-training performance while reducing communication and providing activation-level secret sharing.

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18.
arXiv (CS.AI) 2026-06-17

Adaptive Domain Models: Bayesian Evolution, Warm Rotation, and Principled Training for Geometric and Neuromorphic AI

作者:
Houston Haynes↗

arXiv:2603.18104v5 Announce Type: replace Abstract: Prevailing AI training assumes reverse-mode automatic differentiation over IEEE-754 arithmetic. The memory overhead of training relative to inference, optimizer complexity, and structural degradation of geometric properties through training are consequences of this arithmetic substrate. This paper develops an alternative training architecture grounded in three prior results: the Dimensional Type System and Deterministic Memory Management framework (Haynes 2026), which establishes stack-eligible gradient allocation and exact quire accumulation as design-time verifiable properties; the Program Hypergraph (Haynes 2026), which establishes grade preservation through geometric algebra computations as a type-level invariant; and the b-posit bounded-regime design (Jonnalagadda et al. 2025), which makes posit arithmetic tractable across hardware targets conventionally considered inference-only. Their composition enables depth-independent training memory bounded to approximately twice the inference footprint, grade-preserving weight updates, and exact gradient accumulation, applicable uniformly to loss-function-optimized and spike-timing-dependent neuromorphic models. We introduce *Bayesian distillation*, a mechanism by which the latent prior structure of a general-purpose model is extracted through the ADM training regime, resolving the data-scarcity bootstrapping problem for domain-specific training. For deployment, we introduce *warm rotation*, an operational pattern in which an updated model transitions into an active inference pathway without service interruption, with correctness formalized through PHG certificates and signed version records. The result is a class of domain-specific AI systems that are smaller and more precise than general-purpose models, continuously adaptive, verifiably correct with respect to the physical structure of their domains, and initializable from existing models.

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19.
arXiv (quant-ph) 2026-06-16

Quantum optimal control of steady orbits

作者:
Shebha Anandhi Jegadeesan↗Yujie Zhao↗Robert Hunter↗Hassane El Mkami↗Maximilian Keitel↗Callum Musselwhite↗Graham Smith↗Guinevere Mathies↗Ilya Kuprov↗

arXiv:2606.15383v1 Announce Type: new Abstract: Periodically driven dissipative systems can settle into steady orbits - fixed loops on their dynamical manifolds. In quantum mechanics, steady orbits occur in cooling engines (used to initialise quantum devices), coherent oscillators (such as lasers and masers), precision metrology devices (atomic clocks, optical and spin magnetometers), and magnetic resonance (steady state free precession, dynamic nuclear polarisation). Steady orbits and stroboscopic steady states are a promising target for quantum optimal control, but the numerical complexity is prohibitive: the infinite loop defeats gradient ascent pulse engineering (GRAPE) which relies on explicit numerical propagation in the time domain. Here we propose an efficient quantum control strategy for stroboscopic steady states and limit cycles that are approached asymptotically when a control sequence is repeated infinitely many times. The formalism is different from Floquet-Lindblad state engineering and effective Hamiltonian theories: it finds control sequences that drive a dissipative quantum system towards a steady orbit passing through user-specified waypoints. The software implementation (same numerical complexity scaling as GRAPE) is done for the Spinach library.

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

Benchmarking Physics-Informed Time-Series Models for Operational Global Station Weather Forecasting

作者:
Tao Han↗Zhibin Wen↗Zhenghao Chen↗Dazhao Du↗Song Guo↗Lei Bai↗

The development of Time-Series Forecasting (TSF) models is often constrained by the lack of comprehensive datasets, especially in Global Station Weather Forecasting (GSWF), where existing datasets are small, temporally short, and spatially sparse. To address this, we introduce WEATHER-5K, a large-scale observational weather dataset that better reflects real-world conditions, supporting improved model training and evaluation. While recent TSF methods perform well on benchmarks, they lag behind operational Numerical Weather Prediction systems in capturing complex weather dynamics and extreme events. We propose PhysicsFormer, a physics-informed forecasting model combining a dynamic core with a Transformer residual to predict future weather states. Physical consistency is enforced via pressure-wind alignment and energy-aware smoothness losses, ensuring plausible dynamics while capturing complex temporal patterns. We benchmark PhysicsFormer and other TSF models against operational systems across several weather variables, extreme event prediction, and model complexity, providing a comprehensive assessment of the gap between academic TSF models and operational forecasting. The dataset and benchmark implementation are available at: https://github.com/taohan10200/WEATHER-5K.

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21.
bioRxiv (Bioinfo) 2026-06-24

Development of Deep-Learning Models that Predict Quantitative Protein-Ligand Interac-tions in Glycobiology as a part of a Capstone Course

作者:
Yin↗Liu↗Zhou↗Chang↗Carpenter↗E. J↗Satyajith↗Haregu↗Greiner↗Derda↗

Glycans coat the surface of all cells, and every glycan is recognised by specific glycan-binding pro-teins (GBPs). There are no general tools that can accurately estimate the binding strength between glycan and GBP from the amino acid sequence of the GBP and the molecular structure of the glycan, represented as SMILES string. We describe models for predicting such binding strengths developed as a part of a Capstone Course at the University of Alberta. The models are trained on a dataset that combines BindingDB, a published database of small-molecule protein interactions, and data from glycan arrays measured by Consortium of Functional Glycomics (CFG). In this hybrid dataset of protein-ligand interactions the ligands are both glycans from CFG and small molecules from BindingDB; similarly, proteins include GBP and proteins from BindingDB. Three models are presented (i) ProMax which fuses ESM-2, MolFormer, and MolCLR features; (ii) APEX which constrains learning to a predetermined form, a physical model of binding; (iii) UltraMax adds inter-atomic distances for the ligands. To address the dataset's severe long-tail distribution, the models employ tail-aware losses for rare high-binding instances. Trained and evaluated on approximately one million protein–ligand pairs using hold-out splits for unseen molecules, the three models provide a unified framework for quantitative glycan-protein binding prediction. We observed that learning glycan-protein binding is harder than the similar task of learning small-molecule-protein interactions. Simple mirror-inversion tests led us to postulate that insufficient use of chiral features is an important source of difficulty in learning these interactions.

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

One Ruler: A Same-Hands Re-Evaluation of Bivariate Causal Direction on Tuebingen, with a Parameter-Free Compression Baseline

作者:
Wietse Stienstra↗

arXiv:2606.23767v1 Announce Type: new Abstract: Headline accuracies on the Tuebingen cause-effect pairs are routinely compared across papers even though each is measured under its authors' own protocol – different pair subsets, weightings, model-selection, and decision rates. We argue this is the wrong comparison and run the right one: a same-hands re-evaluation in which every method is run by us on the identical 102 pairs, with one strict rule – no tuning and a decision forced on every pair. As a clean reference point we introduce a deliberately minimal baseline: sorted-conditional compression, which feeds quantized, sorted, first-differenced data to an off-the-shelf compressor (bz2) and has zero fitted parameters. Under the common ruler the ranking differs sharply from the literature. Our baseline reaches 74.7% weighted accuracy (p = 3.7e-7); on the same 100 pairs that SLOPE is evaluated on it scores 76.0%, a 1.2-point gap below the authors' own forced-decision SLOPE (77.2%) that is well inside noise (McNemar p = 0.39). A faithful re-run of RECI lands at 70.7% – inside the original authors' reported error bar, not the 77.5% often quoted (which we trace to a mis-copied cell). SLOPE's published 82.4% is a decided-subset figure: scoring the authors' own stored output only on the pairs its significance test chose to answer reproduces 81.7%. Under the common ruler the methods cluster in the low-to-mid 70s and the zero-parameter compressor ties the strongest of them. We document the mechanisms that inflate published figures (test-set model selection, significance-gated abstention) and contribute two further results: compression score magnitude is a model-free confounding flag (p = 2.8e-68), and a pre-registered falsification test fails in an instructive way that bounds the method's theoretical interpretation. Code, pre-registrations, and per-pair outputs are released.

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23.
arXiv (CS.LG) 2026-06-24

Relatively Smart: A New Approach for Instance-Optimal Learning

作者:
Shaddin Dughmi↗Alireza F. Pour↗

arXiv:2603.01346v2 Announce Type: replace Abstract: We revisit the framework of Smart PAC learning, which seeks supervised learners which compete with semi-supervised learners that are provided full knowledge of the marginal distribution on unlabeled data. Prior work has shown that such marginal-by-marginal guarantees are possible for "most" marginals, with respect to an arbitrary fixed and known measure, but not more generally. We discover that this failure can be attributed to an "indistinguishability" phenomenon: There are marginals which cannot be statistically distinguished from other marginals that require different learning approaches. In such settings, semi-supervised learning cannot certify its guarantees from unlabeled data, rendering them arguably non-actionable. We propose relatively smart learning, a new framework which demands that a supervised learner compete only with the best "certifiable" semi-supervised guarantee. We show that such modest relaxation suffices to bypass the impossibility results from prior work. In the distribution-free setting, we show that the One-Inclusion Graph learner is relatively smart up to squaring the sample complexity, and show that no supervised learning algorithm can do better. For distribution-family settings, we show that relatively smart learning can be impossible or can require idiosyncratic learning approaches, and its difficulty can be non-monotone in the inclusion order on distribution families.

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

Adaptive Weighted Averaging

作者:
Aditya Bhaskara↗Ashok Cutkosky↗Ravi Kumar↗Manish Purohit↗

arXiv:2606.12763v1 Announce Type: new Abstract: We study the problem of selecting the largest among $n$ unknown values $x_1,\dots,x_n$ given only a single unbiased estimate $y_i$ for each $x_i$. We design strategies that are simultaneously admissible (not uniformly dominated by any other strategy) and also never worse than a given baseline such as uniform random selection. We provide an application to stochastic optimization, where we obtain online-to-batch conversion bounds with a desirable "no-compromise" guarantee: they are never worse than standard random iterate selection, and yet can be significantly better in benign settings.

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

K-Forcing: Joint Next-K-Token Decoding via Push-Forward Language Modeling

作者:
Zhiwei Tang↗Yuanyu He↗Yizheng Han↗Wangbo Zhao↗Jiasheng Tang↗Fan Wang↗Bohan Zhuang↗

Autoregressive (AR) language modeling is the dominant paradigm for text generation, yet its sequential token-by-token decoding makes inference memory-bound and inefficient. Existing acceleration approaches, such as speculative decoding and diffusion language models, can yield speedups under certain conditions but do not directly address high-load batch serving–the scenario most critical for industrial-scale deployment. We introduce K-Forcing, a push-forward language modeling paradigm for joint next-k-token decoding. K-Forcing distills an existing AR model into a conditional push-forward mapping–one that transforms independent uniform noise variables into a joint sample of multiple future tokens in a single forward pass. This design preserves fixed-length outputs, reuses the AR teacher backbone, and remains compatible with standard AR serving infrastructure. We train this mapping via progressive self-forcing distillation, which gradually expands the prediction window while enabling the student to closely match the sequence distribution of the AR teacher. We evaluate K-Forcing on LM1B and OpenWebText using a standard causal Transformer backbone. When aggressively configured to generate k = 4 tokens per forward pass, K-Forcing delivers approximately 2.4-3.5x speedup across different batch sizes, while incurring modest quality degradation relative to its AR teacher. As inference increasingly dominates the lifetime compute cost of modern LLMs, K-Forcing offers a promising route toward accelerating AR generation under real-world high-load deployment.

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