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01.
arXiv (CS.LG) 2026-06-17

Deep Reinforcement Learning for Minimum Zero-Forcing Sets

arXiv:2606.18106v1 Announce Type: new Abstract: This paper explores the problem of finding the minimum zero-forcing set on undirected graphs and proposes an adapted machine-learning framework to solve the problem. The minimum zero-forcing set problem is a graph coloring problem where the color of an initial set of nodes propagates throughout a network. The set of nodes is zero-forcing if it forces all uncolored nodes to change color under the constraint of the color-change rule. There are several applications to this problem across different domains such as network science, network control, and designing logical circuits. Finding the minimum zero-forcing set is shown to be NP-hard. We propose a reinforcement learning framework, SD-ZFS, that adapts the S2V-DQN architecture to the ZFS problem. We train several models on this adapted framework and analyze the performance across graph datasets that have varying structures. We evaluate how the models trained on the framework generalize, scale, and transfer to different network types. The results demonstrate the effectiveness of the framework when compared against the optimal solution and greedy heuristic. We provide further insight into how the ZFS problem can be solved through machine-learning and the influence of network structure on the problem.

02.
bioRxiv (Bioinfo) 2026-06-18

Benchmarking attention-based methods for vision transformers' interpretability in retinal fundus imaging

Deep learning models based on Vision Transformers (ViTs) have shown strong performance in retinal fundus imaging, but their interpretability remains poorly understood. In particular, attention-based attribution methods are widely used to explain ViT predictions, despite limited evaluation of their faithfulness and biological relevance in medical imaging. Here, we systematically benchmark four attention-based interpretability methods for RETFound, a retinal ViT-based foundation model, that we previously fine-tuned to predict 17 retinal vascular phenotypes from UK Biobank fundus images1. We compare raw attention, attention rollout, gradient-weighted attention rollout, and Chefer's hybrid relevance-based method using both qualitative visualisation and quantitative evaluation frameworks. To assess attribution faithfulness, we perform perturbation-based deletion and insertion experiments, quantifying changes in model predictions as highly attended image regions are progressively removed or restored. To evaluate biological specificity, we run structure-aware analyses combining attribution maps with vessel segmentation and artery-vein labels through the Relative ratio of Attention Intensity (RAI) metric. Across models, attribution maps differed substantially depending on the selected interpretability method, highlighting the need for rigorous quantitative evaluation. Among the evaluated approaches, gradient-weighted attention rollout consistently achieved the strongest perturbation performance and produced attribution maps most closely aligned with the anatomical definition of the predicted retinal traits. Furthermore, vessel-type specific models systematically concentrate attention on the corresponding vascular structures despite being trained using only a single scalar value per image as supervision. These findings demonstrate that attention-based attribution methods capture biologically meaningful vascular representations, while also revealing method-dependent variability in attribution behaviour. This work provides a quantitative framework for evaluating interpretability methods in medical imaging with annotated segmentation and contributes toward more transparent and biologically grounded medical AI systems.

03.
arXiv (CS.CV) 2026-06-19

Collaborative Multi-Modal Coding for High-Quality 3D Generation

3D content inherently encompasses multi-modal characteristics and can be projected into different modalities (e.g., RGB images, RGBD, and point clouds). Each modality exhibits distinct advantages in 3D asset modeling: RGB images contain vivid 3D textures, whereas point clouds define fine-grained 3D geometries. However, most existing 3D-native generative architectures either operate predominantly within single-modality paradigms-thus overlooking the complementary benefits of multi-modality data-or restrict themselves to 3D structures, thereby limiting the scope of available training datasets. To holistically harness multi-modalities for 3D modeling, we present TriMM, the first feed-forward 3D-native generative model that learns from basic multi-modalities (e.g., RGB, RGBD, and point cloud). Specifically, 1) TriMM first introduces collaborative multi-modal coding, which integrates modality-specific features while preserving their unique representational strengths. 2) Furthermore, auxiliary 2D and 3D supervision are introduced to raise the robustness and performance of multi-modal coding. 3) Based on the embedded multi-modal code, TriMM employs a triplane latent diffusion model to generate 3D assets of superior quality, enhancing both the texture and the geometric detail. Extensive experiments on multiple well-known datasets demonstrate that TriMM, by effectively leveraging multi-modality, achieves competitive performance with models trained on large-scale datasets, despite utilizing a small amount of training data. Furthermore, we conduct additional experiments on recent RGB-D datasets, verifying the feasibility of incorporating other multi-modal datasets into 3D generation.

04.
medRxiv (Medicine) 2026-06-22

The direct economic impact of surgical non-response in orthopaedic hip, knee, and spine surgery for osteoarthritis: a cost-utility analysis

Background Annually, nearly 2 million hip, knee, and spinal inpatient surgeries are performed in Canada and the US for osteoarthritis (OA), costing over $37 billion in hospital expenditures. However, 15-30% of patients experience limited or no improvement, resulting in poor value for money. This study evaluated the one-year cost-utility of joint and spine procedures for OA by comparing non-responders to responders, considering various responder definitions. Methods Individual micro-costing data were collected for 1,175 elective hip, knee, and spine patients enrolled in the Longitudinal Evaluation in the Arthritis Program - Osteoarthritis (LEAP-OA) between 2014 and 2018. Quality-adjusted life years (QALYs) were derived using the SF-6D utility index. One-year incremental cost-utility ratios (ICURs) were calculated from the hospital perspective. Results Responder rates varied by definition, ranging from 78%-94% for hip replacements, 64%-90% for knee replacements, 60%-64% for spine fusions, and 50%-68% for spine decompressions. Corresponding ICURs were: $45,956-$51,773/QALY for responders versus $108,593-$485,762/QALY for non-responders for hip replacements; $54,831-$71,151/QALY for responders versus $200,486-$1,203,596/QALY for non-responders for knee replacements; $65,980-$74,422/QALY for responders versus $262,039-$729,686/QALY for non-responders for spine fusions; and $29,947-$42,168/QALY for responders versus $63,195-$662,586/QALY for non-responders for spine decompressions. Conclusions While surgical response rates were highly dependent on the responder definition, ICURs for non-responders were significantly higher than those for responders across all definitions. Beyond the negative impact on patients, there is a compelling economic argument for investment in improved pre-operative identification of patients at risk of surgical non-response. Such efforts could enable more personalized, value-based care pathways and reduce the provision of low-value surgical interventions.

05.
arXiv (quant-ph) 2026-06-16

The Optimal Rate Function in Covariant Quantum State Tomography

arXiv:2606.16948v1 Announce Type: new Abstract: The problem of quantum tomography is to estimate an unknown quantum state $\rho$ from a measurement of $n$ copies of $\rho$. One can ask which tomography protocol, i.e.\ which choice of multi-copy measurement, gives the best possible estimate of $\rho$. To do so, we characterize tomography protocols by their rate function, which governs the exponential rate at which a protocol assigns probability to a particular estimate $\sigma$ of the true state $\rho$. This rate function is a quantum mechanical generalization of the classical relative entropy between the true state and its estimate, and depends on the choice of protocol. It is bounded by the quantum relative entropy, and we show that this bound is sharp: for any $\rho$ and $\sigma$ we construct a family of protocols whose rate functions converge to the quantum relative entropy $D(\sigma\|\rho)$. We consider the family of covariant tomography protocols; these are the basis independent state estimation schemes that assume no prior information about $\rho$ and $\sigma$. Keyl described a specific tomography protocol based on Schur sampling, and conjectured that among all covariant tomography protocols it has the largest possible rate function for all $\sigma$ and $\rho$. We prove this conjecture. The resulting rate function is an annealed version of quantum relative entropy, due to the cost of learning the eigenbasis in covariant quantum state tomography.

06.
medRxiv (Medicine) 2026-06-10

A risk-of-contagion index using a Bayesian based model for the COVID-19 epidemic in Mexico

During the COVID-19 pandemic, limited testing capacity and reporting delays complicated epidemic surveillance and decision-making in Mexico. We calibrated textit{covidestim}, a Bayesian nowcasting model, to estimate the total SARS-CoV-2 infections from reported cases and deaths using Mexican surveillance data. Disease-progression distribution priors were calibrated using Mexico City records and validated through comparisons with national seroprevalence surveys, hospitalization data, and annual reported severe-case rates across all states. Using the reconstructed estimates of active infections, we implemented an event-based risk framework that quantifies the probability of encountering at least one infectious individual in gatherings of different sizes. This probability was subsequently translated into a four-level epidemiological traffic-light indicator and computed at both state and municipality levels. The resulting estimates revealed substantial spatial heterogeneity that is obscured by state-level aggregation, particularly in states with marked differences between urban and rural municipalities. To evaluate consistency with public-health indicators, we compared the proposed risk classification with the official Mexican epidemiological traffic-light system, considering interpretable gathering sizes relevant to public-health decision making. Weekly reports derived from this framework were delivered to policymakers in the State of Queretaro in Mexico, as an anticipation tool for school reopening and public-space management. This demonstrates that this Bayesian reconstruction of infections combined with event-based risk metrics can provide an interpretable and generalizable municipality-level complement to routine surveillance systems, particularly in regions with limited testing capacity and heterogeneous local transmission dynamics.

07.
arXiv (CS.CV) 2026-06-16

Comparing Human Gaze and Vision-Language Model Attention in Safety-Relevant Environments

Human visual attention plays an important role in how people perceive and respond to environments containing potential risks. This study investigates whether large vision-language models can identify the same regions of a scene that attract human attention in safety-relevant environments. Eye-tracking data were collected from ten participants viewing 33 scene images representing environments with varying levels of potential risk using Pupil Invisible wearable glasses. Gaze coordinates were mapped onto stimulus images to generate population-averaged human gaze heatmaps. In parallel, GPT-4o was prompted through the OpenAI Vision Application Programming Interface (API) to generate spatial predictions of visual attention, which were converted into saliency maps for comparison with human gaze patterns. Spatial alignment between human gaze heatmaps and model-generated saliency maps was evaluated using four complementary metrics: Pearson correlation (r = 0.515 +- 0.117), Normalised Scanpath Saliency (NSS = 0.988 +- 0.323), Kullback-Leibler divergence (KL = 1.766 +- 0.844), and Area Under the Receiver Operating Characteristic Curve using the Judd formulation (AUC-Judd = 0.806 +- 0.076). A cross-model comparison with Gemini Pro, Gemini Flash, and Claude showed that all models exceeded the AUC-Judd chance baseline of 0.5 and achieved positive NSS scores. Gemini Pro demonstrated the strongest spatial localisation according to three of the four metrics, whereas GPT-4o produced the closest distributional match to human attention as measured by KL divergence. These findings suggest that large vision-language models can identify regions that broadly correspond to where humans direct visual attention in safety-relevant scenes without requiring eye-tracking training data. The results highlight the potential of vision-language models as a scalable tool for approximating human attentional patterns.

08.
arXiv (CS.CL) 2026-06-12

MARD: Mirror-Augmented Reasoning Distillation for Mechanism-Level Drug-Drug Interaction Prediction

Mechanism-level drug-drug interaction (DDI) prediction requires identifying which enzyme or pharmacodynamic axis is implicated, in which direction, and with which evidence – not merely whether two drugs interact. We introduce a reproducible mechanism-level DDI labelling and evaluation protocol with a structured 7-family/147-subtype taxonomy, leakage-safe cold-split protocols, and auditable reasoning metrics for evaluating pharmacological prediction beyond flat interaction classification. We propose a pipeline that produces a 7B reasoning MARD (Mirror-Augmented Reasoning Distillation), combining three training innovations: a single-token KL divergence on direction tag that ties the model's prediction, per-loss PRM-weighted DPO with programmatic hard negatives, and a leakage-safe mechanism-aware retrieval channel. Process-reward step labels are automatically verifiable against DrugBank-structured fields, requiring no human or LLM judges. On the April-2026 DrugBank release, our MARD-7B is the only system in a 32-system comparison whose accuracy survives drug-pair novelty, beating the best baseline by +13.9 pp and GPT-4o by +6.7 pp at ~1% of frontier API cost. Further analysis reveals an anti-memorisation signature where accuracy improves on rarely seen drugs, suggesting that gain comes from structured pharmacological reasoning rather than drug-frequency memorisation. We release corpus, DDI-PRM, retrieval index, and training code.

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

SPOT-E: Test-Time Entropy Shaping with Visual Spotlights for Frozen VLMs

arXiv:2606.20244v1 Announce Type: cross Abstract: Vision-language models (VLMs) often underperform on evidence intensive tasks because decisive visual evidence are small, localized, and easy to overlook, leading to failures in evidence readout even when high-level reasoning is intact. Prior inference-time visual interventions can improve grounding without retraining, but they are largely open-loop and lack a mechanism to verify whether highlighted evidence is actually used. We study answer-span prediction entropy as a model-internal feedback signal and show that naive entropy minimization is ambiguous, since low entropy may arise from evidence-grounded confidence or shortcut collapse. To resolve this ambiguity, we introduce low-entropy anchors and an entropy-shaping objective that reduces answer uncertainty while preserving baseline high-confidence tokens. We instantiate this principle in SPOT-E, a plug-and-play test-time method that produces question-conditioned spotlights, optimized per instance via light-weight tuning based on Group Relative Policy Optimization (GRPO). Across all benchmarks and different VLM families, SPOT-E yields consistent gains and improved robustness under visual corruptions. Code is publicly available at: \url{https://github.com/YinBo0927/SPOT-E}

10.
arXiv (CS.AI) 2026-06-11

Agentic Software: How AI Agents Are Restructuring the Software Paradigm

作者:

arXiv:2606.05608v2 Announce Type: replace-cross Abstract: For over half a century, software engineering has operated on a foundational premise: human engineers decompose problems, encode decision logic into static code, and manually adapt that code as requirements evolve. This paper argues that the emergence of AI agents – systems where large language models serve as the primary reasoning engine, dynamically generating and discarding code as an instrumental resource – constitutes a fundamental restructuring of what software is, not an incremental tool improvement. We formalize the distinction between traditional deterministic software and agentic software: in the former, code is the carrier of pre-written decision logic; in the latter, the agent itself is the software, and its decision logic is generated at runtime. We trace the historical arc from licensed software to SaaS to Agent-as-a-Service (AaaS), showing that each shift transferred additional complexity away from end-users – with the agentic shift transferring not just operational complexity but decision-making complexity itself. We introduce Agentic Engineering as an expansion of the software engineering discipline into a new paradigm, distinct in its core object of study (agent systems rather than static source code), its control model (LLM-driven rather than human-predefined), and its human role (intent architect rather than code author). Through analysis of recent benchmark evidence including SWE-bench Verified, EvoClaw, and LangChain's multi-agent coordination studies, we demonstrate both the transformative potential of the agentic paradigm and its current limitations. We conclude with a four-stage roadmap toward self-evolving agent ecosystems and concrete recommendations for practitioners navigating this transition.

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

InTrain: Intrinsic Trainability for Zero-Cost Neural Architecture Search

Training-free neural architecture search promises efficient discovery of high-performance networks without costly training. However, existing zero-cost proxies rely on fragmented heuristics that fail to capture the fundamental question: what makes an architecture trainable? This paper introduces Intrinsic Trainability (InTrain), a unified theoretical proxy that formalizes trainability as an architectural invariant emerging from two synergistic components: geometric capacity and optimization resilience. We operationalize intrinsic trainability through analysis of neural information processing. Geometric capacity is quantified via the participation ratio of activation covariance eigenspectrum, capturing the effective dimensionality of representation manifolds. Optimization resilience is measured through cumulative gradient health, assessing the robustness of backpropagation across network depth. InTrain synthesizes these dimensions through a scale-invariant multiplicative coupling, which we hypothesize is essential for capturing their synergistic, non-additive relationship. Extensive experiments on standard NAS benchmarks and search spaces demonstrate that InTrain achieves ranking correlations on par with state-of-the-art ensemble-based proxies and outperforms other single-metric methods.

12.
medRxiv (Medicine) 2026-06-16

Comparative Effectiveness and Safety of Prophylactic Vasopressors for Preventing Post-induction Hypotension in the Elderly: A Systematic Review and Network Meta-analysis

Background: Post-induction hypotension is a predictable haemodynamic hazard in older adults undergoing general anaesthesia. Prevention remains divided among volume optimisation, anaesthetic dose reduction, rescue treatment after hypotension occurs and proactive vasoactive support. Methods: We searched PubMed, Embase, Web of Science, CENTRAL, CNKI, Wanfang and VIP from inception to 30 March 2026. Eligible studies were randomised trials of prophylactic vasoactive drugs given before, during or immediately after induction in older adults. The primary outcome was post-induction hypotension. Secondary outcomes were post-induction mean arterial pressure (MAP), systolic arterial pressure (SBP), heart rate (HR) and reported haemodynamic adverse events. Random-effects network meta-analysis was used, and confidence in network estimates was assessed using CINeMA principles. Results: Thirty-one trials including 2,821 participants were included in the revised network. Compared with placebo/control, all active agents favoured lower post-induction hypotension. The most favourable point estimates were observed for phenylephrine (odds ratio [OR] 0.17, 95% confidence interval [CI] 0.01 to 2.16) and metaraminol (OR 0.19, 95% CI 0.02 to 1.53), although both were imprecise. More precise reductions were observed for methoxamine (OR 0.23, 95% CI 0.13 to 0.43), norepinephrine (OR 0.25, 95% CI 0.13 to 0.47) and ephedrine (OR 0.34, 95% CI 0.19 to 0.63). Phenylephrine ranked highest for MAP support, norepinephrine ranked highest for SBP support, and ephedrine ranked highest for HR preservation. Global inconsistency was detected for SBP but not for hypotension incidence, MAP or HR, supporting cautious profile-based interpretation. Conclusions: Prophylactic vasopressor choice during induction should be guided by haemodynamic phenotype rather than ranking alone. In the revised network, active prophylaxis consistently favoured lower hypotension, but sparse nodes produced uncertainty. Norepinephrine retained a comparatively balanced profile when vasodilatory post-induction hypotension is anticipated, phenylephrine and related alpha-agonists provided stronger pressure support when HR and cardiac-output reserve are preserved, and ephedrine was most relevant when chronotropic support is desired. Keywords: general anaesthesia; induction; hypotension; norepinephrine; phenylephrine; ephedrine; network meta-analysis; older adults.

13.
arXiv (CS.CL) 2026-06-19

How Linear Is a Transformer Feed-Forward Block? Per-Block Linear Recoverability Is Learned, Not Architectural

作者:

Transformer feed-forward networks (FFNs) are often treated as nonlinear stores of computation, yet how nonlinear a trained FFN block actually is has rarely been measured. We treat each FFN as a position-wise input-to-output map and split it into the exact least-squares linear approximation plus a residual. The held-out variance the closed-form linear map explains defines a block's linear recoverability (R^2_lin), an optimiser-free measure of its linearity. Across all twelve blocks of GPT-2, Pythia-160m, and llama-160m, R^2_lin is highly heterogeneous and non-monotone with depth, ranging from near-linear (>0.99) to strongly nonlinear (

14.
arXiv (CS.AI) 2026-06-18

Sparsity Curse: Understanding RLVR Model Parameter Space from Model Merging

arXiv:2606.18521v1 Announce Type: cross Abstract: Reinforcement Learning with Verifiable Reward (RLVR) has emerged as a powerful post-training paradigm that surpasses Supervised Fine-Tuning (SFT) in eliciting reasoning intelligence and resisting catastrophic forgetting. Recent studies further reveal that RLVR induces highly sparse and off-principal parameter updates compared to SFT. This naturally raises the question: does such sparsity make RLVR models more amenable to model merging? If so, model merging would offer a scalable, training-free path to aggregate diverse reasoning capabilities from independently trained RLVR models. Surprisingly, we find the opposite, uncovering a sparsity curse: the sparse RLVR updates are spread farther apart in parameter space, forming near-orthogonal shortcuts that make aggregation inherently fragile. This is likely rooted in the stochasticity of RL optimization and the diversity of emergent reasoning patterns. Unlike SFT models that converge to shared, flat basins and merge naturally, RLVR models suffer severe degradation under standard merging methods. Through systematic empirical analysis of the update geometry, we characterize the mechanisms behind this failure and propose Sensitivity-aware Resolving Merging (SAR-Merging), a merging recipe tailored for the unique structure of RLVR parameter spaces. SAR-Merging resolves conflicts in overlapping update regions via Fisher Information-based sensitivity arbitration, followed by magnitude-aware sparsification and rescaling to preserve fragile reasoning pathways. Experiments on mathematical and coding benchmarks demonstrate that SAR-Merging substantially outperforms existing merging methods on RLVR models, enabling both single-task enhancement and multi-capability fusion.

15.
arXiv (quant-ph) 2026-06-17

Quantum mechanics in configuration space in context

arXiv:2606.17622v1 Announce Type: new Abstract: To enhance the way in which wave-particle duality is implemented in the modelling of quantum mechanical systems, Bukhari et al. [New J. Phys. 27, 084501 (2025)] recently introduced an alternative approach to quantum mechanics, namely quantum mechanics in configuration space. This formalism is based on a physically motivated quantisation of Newtonian mechanics and promotes the classical position-velocity states (x,v) to pairwise distinguishable quantum states. The resulting |x,v> states form the basis of the Hilbert space of individual quantum mechanical particles and evolve along classical trajectories. In this paper, we consider the modelling of a mechanical particle in free space and put quantum mechanics in configuration space into context. It is shown that this formalism increases the continuity between quantum and classical mechanics by avoiding a conceptual inconsistency associated with the definition of momentum in canonical quantisation. In addition, we emphasise that standard quantum mechanics and quantum mechanics in configuration space are based on two distinct formulations of classical mechanics.

16.
arXiv (CS.CV) 2026-06-11

Active Sampling for Ultra-Low-Bit-Rate Video Compression via Conditional Controlled Diffusion

Diffusion models provide a powerful generative prior for perceptual reconstruction at ultra-low bitrates, but effective video compression requires controlling the generative process using highly compact conditioning signals. In this work, we present ActDiff-VC, a diffusion-based video compression framework for the ultra-low-bitrate regime. Our method partitions videos into variable-length segments, transmits keyframes only when needed, and summarizes temporal dynamics using a compact set of tracked point trajectories. Conditioned on these sparse signals, a conditional diffusion decoder synthesizes the remaining frames, enabling perceptually realistic reconstruction under severe rate constraints. To support this design, we introduce two mechanisms: content-adaptive keyframe selection and budget-aware sparse trajectory selection, which together enable compact yet effective conditioning for generative reconstruction. Experiments on the UVG and MCL-JCV benchmarks show that ActDiff-VC achieves up to 64.6\% bitrate reduction at matched NIQE, improves KID by up to 64.6\% and FID by up to 37.7\% at comparable bitrates against strong learned codecs, and delivers favorable perceptual rate–distortion trade-offs relative to learned and diffusion-based baselines in the ultra-low-bitrate regime.

17.
arXiv (CS.AI) 2026-06-11

SAGE: Scalable AI Governance & Evaluation

arXiv:2602.07840v4 Announce Type: replace-cross Abstract: Evaluating relevance in large-scale search systems is fundamentally constrained by the governance gap between nuanced, resource-constrained human oversight and the high-throughput requirements of production systems. While traditional approaches rely on engagement proxies or sparse manual review, these methods often fail to capture the full scope of high-impact relevance failures. We present SAGE (Scalable AI Governance \& Evaluation), a framework that operationalizes high-quality human product judgment as a scalable evaluation signal. At the core of SAGE is a bidirectional calibration loop where natural-language Policy, curated Precedent, and an LLM Surrogate Judge co-evolve. SAGE systematically resolves semantic ambiguities and misalignments, transforming subjective relevance judgment into an executable, multi-dimensional rubric with near human-level agreement. To bridge the gap between frontier model reasoning and industrial-scale inference, we apply teacher-student distillation to transfer high-fidelity judgments into compact student surrogates at 92$\times$ lower cost. Deployed within LinkedIn Search ecosystems, SAGE guided model iteration through simulation-driven development, distilling policy-aligned models for online serving and enabling rapid offline evaluation. In production, it powered policy oversight that measured ramped model variants and detected regressions invisible to engagement metrics. Collectively, these drove a 0.25\% lift in LinkedIn daily active users.

18.
bioRxiv (Bioinfo) 2026-06-11

DeePEn - A Depth sensitive benchmark for Protein Engineering

Recent progress in modeling techniques and high-throughput screening has significantly enhanced the accessibility of protein engineering. Nevertheless, further progress gets hindered by the lack of robust benchmarks that capture the practical challenges for real-world protein engineering. Here, we introduced DeePEn, a Depth-sensitive benchmark for Protein Engineering that quantifies a models generalization capabilities when predicting protein fitness at increasing mutational distance from the wildtype or training data. We defined distance as the number of simultaneous point mutations, i.e., single amino acid variants (SAVs), moving from wild-type to mutant (edit distance in computer science jargon). Specifically selecting four deep mutational scanning (DMS) datasets with sufficient multi-mutation data points from ProteinGym, we assessed recent predictive models, including general and biophysics-informed protein Language Models (pLMs), and a non-transformer neural network. Our results highlight how the performance of all models deteriorates with increasing mutational distance and that no single metric sufficiently captures the diverse requirements of protein engineering. To overcome these shortcomings, DeePEn provides a readily available resource for multi-metric benchmarking that focuses on the prediction of distant variants.

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

Certified Finite-Shot Operating Windows for Virtual Distillation and Symmetry Verification

arXiv:2606.15464v1 Announce Type: new Abstract: Quantum error mitigation methods are usually compared through their infinite-shot bias, but on real devices the comparison is decided by finite sampling budgets, estimator instabilities, and per-shot resource costs. We develop a finite-shot operating-window theory that makes this comparison certifiable for virtual distillation (VD) and symmetry verification (SV): for each method we derive a mean-squared-error law with explicit, non-asymptotic remainder constants. For VD, the law captures the statistical bias and denominator instability of its quotient estimator, with a concentration certificate locating the sample size beyond which the quotient is trustworthy; for SV, it isolates the bias floor left by undetectable errors and the sampling penalty set by the acceptance probability. A selection trichotomy classifies any two-method comparison into a tie, uniform dominance, or a genuine tradeoff with a certified crossing window, including a self-consistency test that rejects spurious crossings. The theory makes falsifiable predictions – operating-window locations scaling as $p^{-2}$ or $p^{-1}$ in the noise rate, and the sign pattern of all pairwise comparisons – which exact white-box experiments confirm with fitted exponent $-1.97$ against the predicted $-2$ and with $300/300$ sign agreement, within a pre-registered analysis whose single failed gate, an over-strict all-instance criterion, is reported and audited in full. Gate-level simulation and archived runs on two IBM backends then test the windows under device conditions: idealized VD windows exist, but realistic interferometry overhead and denominator instability erase them, and calibrated SV is the practical winner in the tested QAOA instances. This absence of a universal winner is not a failure of mitigation; it is the regime structure that certified operating windows predict.

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

Generative AI and the future of scientometrics: current topics and future questions

In this paper, we contribute to the debate on generative artificial intelligence (GenAI) in scientometrics. We argue that moving from a trial-and-error approach to an explainable and actionable use requires a principled understanding of strengths and weaknesses of GenAI as compared with other techniques and with human judgment. To this end, we introduce a conceptual framework based on the distinction between the semantic dimensions of texts, i.e. the meanings attributed to words, and their pragmatic dimension, i.e. their embedding within communicative situations. We leverage this framework to interpret the results of applications of GenAI in scientometrics and to provide guidance to users. Specifically, we conclude that key parameters to be considered are the nature of the task, the level of granularity of the analysis and whether the goal was descriptive, inferential or evaluative. These parameters lead to different strategies for using GenAI and human-machine integration. Finally, we suggest that, by generating large amounts of scientific language, GenAI might affect textual characteristics used to measure science, such as authors, words, and references. We argue that careful empirical work and theoretical reflection will be essential to remain capable of interpreting the evolving patterns of knowledge production in the age of AI.

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

CheckMIABench: Firm Foundations For Membership Inference Attacks on Language Models

arXiv:2606.17464v1 Announce Type: new Abstract: Membership inference attacks (MIAs) are a canonical way to assess a machine learning model's privacy properties. Although several attempts have been made to evaluate MIAs on language models, the extant literature has suffered numerous difficulties in constructing clean evaluations to test new techniques. In particular, subtle distribution shifts between member and non-member sets can undermine the statistical validity of MIAs; recent work has underscored this by showing that "blind" methods with no access to the underlying model can perform far better than published methods on the same benchmarks. This paper constructs a benchmark for principled evaluation of MIAs against LLMs, by leveraging the insight that training data before and after a fixed point during training are drawn from the same distribution. Therefore, all open-source models with intermediate checkpoints and public training data can be converted into MIA testbeds. We apply our framework to a half-dozen published attacks on the Pythia and OLMo family of models, from 70M to 7B parameters. To facilitate further privacy research, we open-source a modular library for designing and implementing attacks in this setting: https://github.com/safr-ai-lab/pandora_llm.

22.
arXiv (math.PR) 2026-06-19

Towards practical PDMP sampling: Metropolis adjustments, locally adaptive step-sizes, and NUTS-based time lengths

arXiv:2503.11479v2 Announce Type: replace-cross Abstract: Piecewise-Deterministic Markov Processes (PDMPs) hold significant promise for sampling from complex probability distributions. However, their practical implementation is hindered by the need to compute model-specific bounds. Conversely, while Hamiltonian Monte Carlo (HMC) offers a generally efficient approach to sampling, its inability to adaptively tune step sizes impedes its performance when sampling complex distributions like funnels. To address these limitations, we introduce three innovative concepts: (a) a Metropolis-adjusted approximation for PDMP simulation that eliminates the need for explicit bounds without compromising the invariant measure, (b) an adaptive step size mechanism compatible with the Metropolis correction, and (c) a No U-Turn Sampler (NUTS)-inspired scheme for dynamically selecting path lengths in PDMPs. These three ideas can be seamlessly integrated into a single, `doubly-adaptive' PDMP sampler with favourable robustness and efficiency properties.

23.
bioRxiv (Bioinfo) 2026-06-20

MIRATS framework: Normative multiscale characterization of brain regulatory systems across sex and age using multimodal MRI

作者:

Deep brain systems involved in arousal, autonomic regulation, sensory integration, and homeostatic control remain underrepresented in conventional whole-brain neuroimaging frameworks. In particular, diencephalic and brainstem nuclei are often insufficiently represented in cortex-centered analyses, limiting the normative references needed to interpret systems-level variation in health and disease. To address this gap, we developed a unified multiscale framework with explicit representation of deep nuclei. By integrating cerebral, cerebellar, diencephalic, and brainstem atlases in standard space, we constructed a 220-region whole-brain parcellation and extracted complementary features at three analytical scales: nodal properties, edge-wise connectivity, and persistent-homology-based topological descriptors. We applied this framework to healthy adults from the Human Connectome Project-Aging cohort to characterize normative multiscale organization and test sex- and age-related variation. Applied to this cohort, our framework revealed pronounced heterogeneity across anatomical systems. Brainstem and diencephalic nuclei showed multiscale feature profiles distinct from those of cerebral and cerebellar regions across nodal, edge-wise, and higher-order topological scales. Sex comparisons identified selective differences across different scales, whereas age modeling revealed widespread but feature- and system-dependent variation across adulthood. Together, these findings show that normative whole-brain organization in this deep-system-aware space is structured by system-specific rather than globally uniform patterns. These findings establish a normative multiscale framework for characterizing brainstem-diencephalic-cerebellar-cerebral organization in healthy adults and provide a quantitative reference for future translational studies of disease-related abnormalities in deep regulatory systems.

24.
arXiv (CS.CV) 2026-06-19

BAFIS: Dataset + Framework to assess occupational Bias and Human Preference in modern Text-to-image Models

Generative artificial intelligence has the potential to improve productivity and transform the production of creative content. However, existing research indicates that image generation models are significantly influenced by biases. This work investigates the inherent biases and language-induced biases present in text-to-image models within the context of occupation-related image generation, complementing established metrics with human preference feedback. We present a comprehensive evaluation of five current text-to-image models: Midjourney v6.1, Stable Diffusion 3 Medium, DALL-E 3, Playground v2.5, and FLUX.1-dev , focusing on gender and ethnicity bias, image quality, and prompt alignment. To facilitate this evaluation, we developed the "Battle-Arena for Fair Image Synthesis" (BAFIS), a platform designed to collect human feedback on bias in generated images. Furthermore, we created a dataset comprising 21,140 synthetic images generated using multilingual prompts, which serves as a basis for our analysis. We further place our results within a broader social context by comparing them to official statistics from the German Federal Employment Agency. Our findings reveal systematic biases in text-to-image models, with established evaluation metrics in partial correlation with subjective user ratings. Thus, our research emphasizes the need for including human preferences to develop fairer and more inclusive text-to-image models.

25.
Nature (Science) 2026-06-17

Fast formation to reinforce lithium-rich cathodes

作者:

Formation in lithium-ion battery manufacturing typically involves low-rate charge–discharge cycles to establish stable electrode–electrolyte interfaces—a time-consuming process1–4. Here, our findings on lithium-rich layered oxide cathodes challenge the necessity of conventional formation, which can even shorten battery lifespan. Fast formation, on the other hand, reduces production cost and enhances capacity and stability. Multiscale synchrotron-based techniques show that residual lithium ions after the initial charge are critical for subsequent structural evolution and cycling performance. Deep lithium de-intercalation causes severe structural degradation and capacity loss due to the inherently fragile lithium-deficient matrix. By contrast, the residual lithium ions from fast formation enhance reversibility through a self-pinning effect, preventing pernicious lattice deformation and reinforcing the ion-storage framework. Adjusting the initial charge current density from 0.2 C to 2 C improves reversible capacity by 20% and extends cycle life by more than 36%. This approach can also be extended to other electrode systems, providing insights for more-efficient battery production. Fast formation in lithium-ion batteries outperforms conventional slow formation, lowering costs and improving battery capacity, stability and cycle life, offering broader application to electrode systems.