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01.
arXiv (CS.CL) 2026-06-11

Experience Makes Skillful: Enabling Generalizable Medical Agent Reasoning via Self-Evolving Skill Memory

Medical agent systems are increasingly expected to support interactive clinical decision making rather than only static question answering. In such settings, effective agents must reuse prior experience across evolving cases, yet existing memory mechanisms often retain raw historical traces that are redundant, noisy, and difficult to govern. More importantly, they rarely distinguish which memories are truly useful for future reasoning. This limits their ability to accumulate compact and reliable experience for long-horizon clinical reasoning. To close this gap, we propose SkeMex, a post-deployment self-evolution framework that improves medical agents through a skill-based memory without updating model weights. SkeMex distills informative interaction trajectories into structured skills that encode reusable procedural knowledge, and organizes them into a multi-branch repository spanning general, task-specific, and action-level experience. To determine which memories should be reused and retained, SkeMex estimates context-dependent utility from environment feedback and uses it to guide value-aware retrieval and repository governance. A closed-loop ``Read–Write–Assess–Govern" lifecycle further supports continual evolution by writing new skills, updating utilities, promoting useful memories, and removing harmful entries. Experiments across diverse clinical tasks show that SkeMex consistently outperforms representative memory-based agents in both offline and online settings. It also generalizes across model backbones and supports transferable skill memory. All data and code will be released publicly.

02.
arXiv (CS.LG) 2026-06-18

Task-Adaptive Parameter-Efficient Fine-Tuning for Weather Foundation Models

arXiv:2509.22020v2 Announce Type: replace Abstract: While recent advances in machine learning have equipped Weather Foundation Models (WFMs) with substantial generalization capabilities across diverse downstream tasks, the escalating computational requirements associated with their expanding scale increasingly hinder practical deployment. Current Parameter-Efficient Fine-Tuning (PEFT) methods, designed for vision or language tasks, fail to address the unique challenges of weather downstream tasks, such as variable heterogeneity, resolution diversity, and spatiotemporal coverage variations, leading to suboptimal performance when applied to WFMs. To bridge this gap, we introduce WeatherPEFT, a novel PEFT framework for WFMs incorporating two synergistic innovations. First, during the forward pass, Task-Adaptive Dynamic Prompting (TADP) dynamically injects the embedding weights within the encoder to the input tokens of the pre-trained backbone via internal and external pattern extraction, enabling context-aware feature recalibration for specific downstream tasks. Furthermore, during backpropagation, Stochastic Fisher-Guided Adaptive Selection (SFAS) not only leverages Fisher information to identify and update the most task-critical parameters, thereby preserving invariant pre-trained knowledge, but also introduces randomness to stabilize the selection. We demonstrate the effectiveness and efficiency of WeatherPEFT on three downstream tasks, where existing PEFT methods show significant gaps versus Full-Tuning, and WeatherPEFT achieves performance parity with Full-Tuning using fewer trainable parameters. The code of this work is available at https://github.com/ShileiCao/WeatherPEFT.

03.
arXiv (CS.CL) 2026-06-17

Atlas: Orchestrating Heterogeneous Models and Tools for Multi-Domain Complex Reasoning

The integration of large language models (LLMs) with external tools has significantly expanded the capabilities of AI agents. However, as the diversity of both LLMs and tools increases, selecting the optimal model-tool combination becomes a high-dimensional optimization challenge. Existing approaches often rely on a single model or fixed tool-calling logic, failing to exploit the performance variations across heterogeneous model-tool pairs. In this paper, we present ATLAS (Adaptive Tool-LLM Alignment and Synergistic Invocation), a dual-path framework for dynamic tool usage in cross-domain complex reasoning. ATLAS operates via a dual-path approach: (1) training-free cluster-based routing that exploits empirical priors for domain-specific alignment, and (2) RL-based multi-step routing that explores autonomous trajectories for out-of-distribution generalization. Extensive experiments across 15 benchmarks demonstrate that our method outperforms closed-source models like GPT-4o, surpassing existing routing methods on both in-distribution (+10.1%) and out-of-distribution (+13.1%) tasks. Furthermore, our framework shows significant gains in visual reasoning by orchestrating specialized multi-modal tools.

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

CAVEWOMAN: How Large Language Models Behave Under Linguistic Input and Output Compression

"Talk short. Drop grammar. Save token." This caveman style is widely promoted as a way to cut inference cost, but whether it actually saves anything depends on which channel (the user's prompt or the model's response) is being compressed. We present Cavewoman, a two-channel evaluation protocol that scores every generation on task accuracy, realized per-item cost, and reference-text agreement against the model's unconstrained reference. We evaluate eight models on five datasets at five reduction levels, with both channels measured on the same items. Output compression cuts realized cost on most API models (1.4-2.4x per model, up to 3x in the best case) and on all four open-weight models under public-tier pricing. Input compression has the opposite effect, a strict lose-lose: it raises net cost rather than lowering it (~1.15x on the five-benchmark mean, up to 1.8x on the worst dataset and 2.7x under stronger compression), because models compensate with longer responses even as accuracy collapses. Under the same setting, surface text diverges from the unconstrained reference: on the non-reasoning models, roughly half of all generations are correct yet their surface text no longer entails the model's own unconstrained baseline generation. The divergence survives length-controlled re-scoring, multiple-comparisons correction, and replication under complementary semantic measures. Code and data are available at https://github.com/danielle34/cavewoman.

05.
arXiv (CS.AI) 2026-06-12

Fault Lines: Navigating Ethics and Responsible AI Where National Policy Meets Local Practice in Public Sector Transformation

arXiv:2606.13039v1 Announce Type: cross Abstract: The UK government has adopted a pro-AI stance to help transform public service delivery in the face of severe financial pressures, but the path to translate this vision into responsible AI practice remains ill-defined. While UK policy is often set at the national level, local authorities are responsible for most public service delivery, and the rapid advance of AI-first narratives in the public sector is exposing fault lines in knowledge and practice at this national-local interface. This paper examines how responsible AI is interpreted and implemented at the interface between the UK's central government and local authorities, taking the high-stakes area of Special Educational Needs and Disabilities (SEND) as a case study. We present a thematic analysis of 17 semi-structured interviews with policymakers, practitioners, and third-sector professionals to identify barriers and enabling conditions for responsible AI where national policy meets local practice. We identify five interconnected challenges facing local authorities: shadow usage of AI and data privacy risks, market-government asymmetry in AI provision, insufficient workforce readiness, a lack of standardised definitions and measurements, and gaps in human accountability. For each, participants proposed actionable steps, from strengthening data protection frameworks and rebalancing the market-government relationship to enhancing workforce capacity. Our examination of SEND brings these challenges into sharper focus, showing how high-stakes decisions affecting vulnerable children and families intensify tensions around accountability, fairness, and human oversight, exposing the limits of a principle-based regulatory approach. We argue that responsible public sector AI requires both national policy adjustments and structural reforms to institutional capacity, values, and governance mechanisms at the local level.

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

PrototypeNAS: Rapid Design of Deep Neural Networks for Microcontroller Units

arXiv:2603.15106v2 Announce Type: replace Abstract: Enabling efficient deep neural network (DNN) inference on edge devices with different hardware constraints is a challenging task that typically requires DNN architectures to be specialized for each device separately. To avoid the huge manual effort, one can use neural architecture search (NAS). However, many existing NAS methods are resource-intensive and time-consuming because they require the training of many different DNNs from scratch. Furthermore, they do not take the resource constraints of the target system into account. To address these shortcomings, we propose PrototypeNAS, a zero-shot NAS method to accelerate and automate the selection, compression, and specialization of DNNs to different target microcontroller units (MCUs). We propose a novel three-step search method that decouples DNN design and specialization from DNN training for a given target platform. First, we present a novel search space that not only cuts out smaller DNNs from a single large architecture, but instead combines the structural optimization of multiple architecture types, as well as optimization of their pruning and quantization configurations. Second, we explore the use of an ensemble of zero-shot proxies during optimization instead of a single one. Third, we propose the use of Hypervolume subset selection to distill DNN architectures from the Pareto front of the multi-objective optimization that represent the most meaningful tradeoffs between accuracy and FLOPs. We evaluate the effectiveness of PrototypeNAS on 12 different datasets in three different tasks: image classification, time series classification, and object detection. Our results demonstrate that PrototypeNAS is able to identify DNN models within minutes that are small enough to be deployed on off-the-shelf MCUs and still achieve accuracies comparable to the performance of large DNN models.

07.
arXiv (CS.CL) 2026-06-18

Leadership as Coordination Control: Behavioral Signatures and the Recovery-Advantage Boundary in Multi-Agent LLM Teams

Authors:

Team science holds that leadership is contingent: it helps only under specific conditions, and capable, autonomous teams may need none at all. We ask the analogous question for multi-agent LLM teams: under what measurable conditions does process-level coordination control add value, and do those conditions match what team science predicts? We use behavioral signatures (majority lock-in, exploration, recovery from an incorrect round-0 consensus) and per-action ablations, clean because each controller is an explicit action set, not a monolithic prompt. We operationalize three classical leadership styles (transactional, transformational, situational) as controllers over a shared action vocabulary (explore, revise, accept, synthesize). A matched controller with the same actions but an arbitrary rule recovers no better than majority voting, so the theory-derived rule, not the vocabulary, does the work. Across four task regimes and three open-weight model families, no controller dominates by accuracy, as the contingency view predicts: transactional control matches a shared round-0 vote on all 12 (model, regime) combinations to within 1.3pp, and gains appear only on the one combination where the round-0 majority is unreliable (llama-4-scout social; situational +8pp over flat). A recovery-advantage account, tested with four boundary probes, says a controller beats plain interaction only where the round-0 majority is unreliable, the task is recoverable, and undirected interaction does not already repair it. These regions map onto contingency theory (leadership substitutes, path-goal redundancy, the situational readiness gap), so a largely null accuracy result is what the theory predicts, not a failure of the controllers. We read process-level coordination control as a contingency to be measured and theory-mapped, not a leaderboard to be topped.

08.
arXiv (CS.AI) 2026-06-24

FP8 is All You Need (Part 2): Efficient Ozaki-Bailey Style FFT Through Tensor-core Garner Reformulation and Kulisch Escape Route

arXiv:2606.23698v1 Announce Type: cross Abstract: NVIDIA's Blackwell Ultra (B300) cuts FP64 vector throughput to ~1.3 TFLOPS per GPU, roughly 30x below B200 and well below the level at which bandwidth-limited FP64 workloads stay memory-bound. The Ozaki Scheme II framework recovers FP64-equivalent throughput by routing dense matrix multiply through FP8 tensor cores with a mantissa-sliced Chinese-remainder reconstruction. A companion Part (1) paper covers dense GEMM, batched GEMV, stencils, and SpMV; this paper adds the fifth canonical primitive, the 3-D FFT. We present Ozaki-Bailey FFT, an emulated 3-D FFT via the Bailey six-step decomposition with both 1-D FFT GEMMs on FP8 tensor cores. Bailey's small inner factor k ~ sqrt(N) (k=32 for N=1024) puts the kernel in the regime k

09.
bioRxiv (Bioinfo) 2026-06-12

A Graph-based QSAR Modeling Pipeline for Predicting In vitro PubChem Assays and In vivo Human Hepatotoxicity: Mechanistic Analysis of Caspase-3/7 Activation

Background: Caspase-3 and -7 are key effector caspases in the apoptotic pathway, a form of programmed cell death, and their activities serve as a well-established biomarker for evaluating environmental chemical toxicity and informing chemical risk assessment. Loss of mitochondrial membrane potential is a key event in the activation of Caspase-3/7 signaling and the subsequent induction of apoptosis. Therefore, simultaneous assessment of mitochondrial membrane potential and Caspase-3/7 activity enables elucidation of the mechanisms and pathways through which apoptosis is initiated. Rapid and accurate assessment of the potential toxicity of environmental chemicals and drugs remains a major challenge. Quantitative Structure Activity Relationship (QSAR) modeling have been widely used for toxicity prediction. Graph-based approaches encode compounds directly as molecular graphs, allowing structure-activity relationships to be learnt from molecular topology without the information loss in binary fingerprints. While advanced graph models such as graph transformers (GTs) have shown outstanding performance in many domains, they have not been fully leveraged in QSAR modeling on Caspase and mitochondrial toxicity. Methods: We propose a QSAR modeling pipeline that encompasses assay data preprocessing, feature representations (fingerprints and molecular graphs), and benchmarking machine learning (ML) models, including classic ML models, graph neural networks (GNNs), GTs, and their consensus ensembles. Based on in vitro Caspase and mitochondrial assays in PubChem, we applied the pipeline to predict Caspase-3/7 activation and mitochondrial membrane potential (MMP). Beyond in vitro assays, we also built in vivo QSAR modeling for FDA Drug-Induced Liver Injury (DILI) gold standard on human hepatotoxicity. Moreover, mechanistic analysis on Caspase-3/7 activation was conducted by comparing with MMP disruption to identify chemical substructures that may be responsible for dual activations. We also investigated cell-line-specific responses by identifying structural motifs that selectively induce Caspase-3/7 activation in individual cell lines.Results:Experimental evaluations show that GTs and GNNs outperformed classic ML models when the number of active compounds is large, such as MMP disruption, while classic ML models and GTs performed good for highly imbalance data with limited active compounds, such as Caspase-3/7 activation. For DILI prediction, the full consensus model achieved the highest AUC 0.69 and Graphormer had the highest F1 score 0.79, both surpassing the previous best model with AUC 0.63 and F1 0.65 with a large margin.Our mechanistic analysis shows that phenolic compounds bearing a para-hydroxyphenyl motif, as well as members of the lipophilic chain family with long alkyl chains can trigger the collapse of MMP, leading to the activation of caspases-3 and -7. Human embryonic kidney (HEK293) was the only cell line with a distinct structural motif: 1,1-dichloroethane and chlorobenzene. Human neuroblastoma (SK-N-SH) is uniquely impacted by an epoxide fragment and rat hepatoma (H-4-II-E) is uniquely impacted by a tetramethylcyclohexene motif and an acetaldehyde fragment.Conclusions:The proposed pipeline for QSAR modeling, including data preprocessing, feature representations, and incorporation of advanced graph ML approaches, is highly effective in predicting not only on Caspase-3/7 activation and membrane potential collapse, but also on FDA DILI human hetatotoxicity. As future research directions, we will leverage extra information, e.g., biological activity and findings in existing toxicity literature, and recent advances in large language models and agentic AI to further improve the predictive performance and enable a sensitive and specific framework for assessing human hepatotoxicity of environmental compounds.

10.
arXiv (CS.LG) 2026-06-15

MUFFLe: Efficient Model Update Compression via Generalized Deduplication for Federated Learning

arXiv:2606.14354v1 Announce Type: new Abstract: Federated learning is well suited to edge environments but is often limited by the uplink cost of transmitting model updates. This Work-in-Progress paper presents MUFFLe, a communication-efficient update compression scheme that integrates generalized deduplication (GD) into the FedAvg pipeline. MUFFLe deduplicates repeated patterns across the update vector, yielding a fixed-rate, variable-count compression scheme. Preliminary experiments on IID MNIST with 20 clients show that MUFFLe reaches the target accuracy of $92.93\%$ with 38~MB cumulative uplink communication, compared with 75~MB for 8-bit quantization, 86~MB for Top-$k$ sparsification, and 310~MB for uncompressed FedAvg. These results demonstrate the feasibility of applying GD to communication-efficient federated learning.

11.
PLOS Computational Biology 2026-06-01

Challenges and progress in RNA velocity: Comparative analysis across multiple biological contexts

Authors:

by Sarah Ancheta, Leah Dorman, Guillaume Le Treut, Abel Gurung, Greg Huber, Loïc A. Royer, Alejandro Granados, Merlin Lange Single-cell RNA sequencing is revolutionizing our understanding of cell state dynamics, allowing researchers to capture and quantify the transcriptomic profile of a single cell at a specific timepoint. Among the computational techniques used to predict cellular trajectories, RNA velocity has emerged as a predominant tool for modeling transcriptional dynamics. RNA velocity leverages the mRNA maturation process to generate velocity vectors that predict the likely future state of a cell, offering insights into cellular differentiation, aging, and disease progression. Although this technique has shown promise across biological fields, the performance accuracy varies depending on the RNA velocity method and dataset. We established a comparative pipeline and analyzed the performance of five RNA velocity methods on three datasets based on local consistency, method agreement, identification of driver genes, and robustness to sequencing depth. This benchmark provides a resource for scientists to understand the strengths and limitations of different RNA velocity methods.

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

Under What Conditions Can a Machine Become Genuinely Creative?

Authors:

arXiv:2606.13196v1 Announce Type: new Abstract: Recent AI systems can generate texts, software architectures, hypotheses, designs, and scientific workflows that appear creative. This paper asks under what conditions a machine can become genuinely creative, and how human agency can be preserved within shared cognitive and creative environments. It develops a requirement framework derived from Designics, the science of meaning-bearing intentional change. The paper argues that genuine machine creativity should not be defined by output novelty, current performance, or transient architecture alone. Instead, creativity is understood as the structural transformation of incomplete situations through recursive intervention dynamics. On this view, it depends on ten requirements: environment representation, scoped perception, conflict identification, intervention capability, consequence observation, knowledge and environment update, rescoping, local-to-global unfolding, value-based scoping, and human-AI co-living. These are organized through the three laws of Designics: perception, conflict, and capability. The paper illustrates the computational tractability of these requirements through selected cyber-physical and cyber-biological studies, including recursive element extraction, autonomous mesh generation, and neurophysiological and workload analysis. It then treats open-ended systems, automated discovery frameworks, self-modifying agents, foundation models, and agentic workflows as pressure cases: they demonstrate powerful generative means but do not by themselves establish genuine machine creativity. Finally, the paper argues that proactive AI ethics is internal to genuine machine creativity rather than an after-the-fact filter. Value-based scoping and human-AI co-living must shape how creative machines perceive environments, identify conflicts, select interventions, observe consequences, update knowledge, and rescope future action.

13.
bioRxiv (Bioinfo) 2026-06-13

Reinforcement learning-driven unified generative framework for multi-objective RNA codon design

Current RNA codon design methods are limited by inefficient long-sequence processing and poor generalizability, often relying on a decoupled "generate-or-optimize" paradigm. We introduce RNARL, a reinforcement learning-driven framework that unifies sequence generation with multi-objective optimization. RNARL directly learns to generate high-performance sequences, effectively optimizing sequences over 3,900 nucleotides and demonstrating superior performance and universality across six species and five RNA types. RNARL thus establishes an effective and generalizable framework for RNA codon design. Finally, a user-friendly web platform is freely available to facilitate its application for RNA therapeutic design.

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

Chroma-gated, differentiable OKLCH interpolation: Continuous Oklab fallback for color-cast reduction

OKLCH – the cylindrical (lightness, chroma, hue) form of Ottosson's Oklab color space – is the interpolation space recommended by CSS Color 4 for gradients and color-mix(), and it is now broadly deployed. Its polar parameterization, however, casts color near the neutral axis in two ways: (1) an inter-hue detour between two chromatic endpoints that sweeps through an unintended hue (blue to yellow visibly passing through green), and (2) an off-line bow when one endpoint is achromatic. Existing remedies are uniformly two-valued – a threshold switch that fires only at an achromatic endpoint – so they address only (2); on chromatic pairs every one of them reduces to raw OKLCH, leaving the (1) inter-hue cast untreated. We introduce Continuous Oklab fallback (COFb), a one-parameter, differentiable chroma gate $w(C)=C^n/(C^n+\sigma^n)$ that continuously blends the OKLCH path toward the linear Oklab path as chroma falls. A single gate reduces the (1) cast that the two-valued family leaves untreated and unifies the handling of (1) and (2) without any endpoint test. We characterize a cast-hue trade-off frontier, adopt a default ($n=1$, the rational Michaelis-Menten form; $\sigma\approx0.19$ for a typical sRGB palette, from a normalization-independent cast-half criterion), and verify the gate's properties symbolically. At the default, COFb halves the inter-hue path detour (mean lateral deviation -49.5%, chroma-weighted hue excursion -35.5%). We also state the method's limits: on (2) alone the two-valued switch remains better, and like any Cartesian blend COFb does not preserve chroma. In deployment, COFb runs entirely in plain Oklab (a,b) to sRGB, so it serves as a fallback that delivers the same cast-reduced gradients where modern CSS color interpolation (color-mix(in oklch) and the like) is unavailable – older engines, image and video pipelines, or GPU shaders.

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

Bring My Cup! Personalizing Vision-Language-Action Models with Visual Attentive Prompting

arXiv:2512.20014v3 Announce Type: replace-cross Abstract: While Vision-Language-Action (VLA) models generalize well to generic instructions, they struggle with personalized commands such as "bring my cup," where the robot must act on one specific instance among visually similar objects. We study this setting of manipulating personal objects, in which a VLA must identify and control a user-specific object unseen during training using only a few reference images. To address this challenge, we propose Visual Attentive Prompting (VAP), a simple-yet-effective training-free perceptual adapter that equips frozen VLAs with top-down selective attention. VAP treats the reference images as a non-parametric visual memory, grounds the personal object in the scene through open-vocabulary detection and embedding-based matching, and then injects this grounding as a visual prompt by highlighting the object and rewriting the instruction. We construct two simulation benchmarks, Personalized-SIMPLER and Personalized-VLABench, and a real-world tabletop benchmark to evaluate personalized manipulation across multiple robots and tasks. Experiments show that VAP consistently outperforms generic policies and token-learning baselines in both success rate and correct-object manipulation, helping to bridge the gap between semantic understanding and instance-level control.

16.
arXiv (quant-ph) 2026-06-11

Measurement-Free Toric-Code Memory in Array Globally Controlled Rydberg Array

arXiv:2606.12030v1 Announce Type: new Abstract: The central prerequisite of any fault-tolerant quantum architecture is a quantum memory: a block of encoded physical qubits whose logical state is actively preserved against noise across many rounds of error correction. In neutral-atom Rydberg arrays, realizing such a memory is obstructed not by the entangling gates themselves, which are already fast and high-fidelity, but by the auxiliary operations that a conventional error-correction cycle requires: mid-circuit fluorescence measurement, inter-zone atom transport, and locally focused single-qubit addressing. Each of these introduces latency, atom loss, or optical crosstalk that exceeds the cost of the underlying gates by orders of magnitude. These costs accumulate cycle after cycle, progressively degrading the very logical information the code is meant to protect. Here we propose a protocol that stabilizes a toric-code quantum memory without moving, measuring or local addressing atoms. The key is to use a three-species Rydberg atom array for the complete stabilizer cycle, including syndrome extraction, coherent correction, and ancilla reset, under global, species-selective laser pulses. Numerical simulation of a $4 \times 4$ rotated toric code shows a longer qubit lifetime when the physical error rate is below a pseudo-threshold $p^\star \approx 0.034$. The scheme offers a concrete, hardware-efficient route to topological quantum memory in neutral-atom platforms.

17.
PLOS Computational Biology 2026-06-11

MicroRNA target gene prediction model based on input-feature dependency and sample data expansion technique

Authors:

by Yan Shao, Yazhou Li, Hexin Zhai, Shimin Dong Predicting microRNA target genes is essential for understanding their biological functions. This study developed a miRNA target gene prediction model based on input-feature dependency. Features were treated as multiple random variables, with marginal densities estimated using Gaussian mixture models (GMM) and dependencies captured by regular vine (R-vine) copula to derive joint probability density functions. We constructed class-conditional joint densities for positive and negative samples separately using GMM and R-vine copula, then combined these with prior probabilities using Bayes’ rule to obtain posterior probabilities of positive interactions, using a standard 0.5 probability threshold for deterministic prediction. To address insufficient data and class imbalance, hybrid distribution mega-trend diffusion was used to generate virtual samples for data augmentation. Computational validation showed high predictive performance even when only 30% of the training data were used. As proof-of-concept, we experimentally validated one predicted interaction (miR-8485 targeting JAK2) using dual-luciferase, cellular, and animal experiments, confirming the biological relevance of this specific model-generated prediction. These findings provide a valuable tool for understanding miRNA functions and disease mechanisms.

18.
arXiv (quant-ph) 2026-06-17

Pulse-optimised circuit elements for scalable and noise-resilient quantum chemistry

arXiv:2606.17357v1 Announce Type: new Abstract: Useful chemistry calculations on near-term quantum processors are hindered by current algorithmic runtimes. We develop a methodology to significantly reduce these runtimes. Typically, variational quantum eigensolver (VQE) algorithms are implemented as sequences of primitive gates. Our methodology instead relies on gradient-ascent pulse engineering to construct hardware-tailored pulses for the direct implementation of VQEs. As problem sizes increase, it quickly becomes intractable to optimise a pulse that implements an entire VQE ansatz circuit. However, leading VQEs are constructed in a modular fashion. A problem-tailored VQE is assembled from parameterised circuit elements that simulate hopping between two or four electronic spin orbitals. We show that these circuit elements can be implemented more efficiently using hardware-tailored pulses. We numerically demonstrate our methodology on a silicon spin-qubit quantum processor. We find that common circuit elements, known as single- and double-qubit excitations, can be implemented in less than 289 ns and 927 ns, respectively. Compared with conventional gate-based implementations, our pulse-accelerated qubit excitations provide a scalable approach for faster and therefore more noise-robust quantum chemistry simulations by reducing VQE runtimes by up to a factor of 15.3.

19.
arXiv (math.PR) 2026-06-24

Distributional Statistical Models: Weak Moments, Cumulants, and a Central Limit Theorem

Authors:

arXiv:2604.20634v3 Announce Type: replace Abstract: Many important statistical models fall outside classical moment-based methods due to the non-existence of moments or moment generating functions. We propose a generalised probabilistic framework in which a probability law is represented by a tempered distribution $T \in \mathcal{S}'$, on the same footing as a density, a distribution function, or a characteristic function. Information about the law is extracted by evaluating $T$ on test functions regularised by a given positive Schwartz kernel $\varphi \in \mathcal{S}$ – the kernel serving as a probe, not as part of the law. Expectations are defined via the action of distributions on regularised test functions, yielding well-defined weak moments, weak characteristic functions, and weak cumulants of all orders. These extend classical quantities and retain key algebraic properties such as additivity under independence and natural affine transformation rules. The main results are: (i) a systematic algebra of weak cumulants; (ii) a weak moment problem where existence of all moments holds unconditionally and uniqueness depends on the kernel, with uniqueness results under Gaussian kernels (via Hermite completeness), positive Schwartz kernels with an exponential tail bound and square-integrable densities (via a Carleman-type criterion), and kernels with exponential decay (via Denjoy-Carleman quasi-analyticity); and (iii) a weak central limit theorem formulated as convergence of weak characteristic functions to a Gaussian limit, covering cases where the classical theorem fails. The framework is illustrated with Student's $t$, stable, and hyperbolic distributions. As a statistical consequence, the weak first moment yields a consistent estimator of the location parameter in the Cauchy model, where no classical moment-based estimator exists. A full statistical treatment is given in a companion paper.

20.
arXiv (CS.LG) 2026-06-11

DeepRHP: A Hybrid Variational Autoencoder for Designing Random Heteropolymers as Protein Mimics

arXiv:2606.11651v1 Announce Type: new Abstract: Synthetic random heteropolymers (RHPs), consisting of a predefined set of monomers, offer an approach toward the design of protein-like materials. These RHPs, if designed appropriately, can mimic protein behavior and function. As such, there is a need for computational tools to efficiently guide RHP design. We bridge this gap by developing DeepRHP, a modified variational autoencoder (VAE) model under a semi-supervised framework. By equipping a classical VAE with an additional feature-based VAE, DeepRHP forces the latent space to capture structures of critical chemical features as well as individual RHP sequence patterns. In this sense, our method is versatile by allowing any relevant features to be incorporated in a hybrid manner. We demonstrate the effectiveness of DeepRHP by suggesting potential monomer compositions that stabilize membrane proteins (e.g. Aquaporin Z) in non-native environments and cross-validating our prediction with published results. The concordance between our model and true RHP function suggests strong potential in utilizing hybrid autoencoder architectures to guide RHP design for proteins and other biological compounds.

21.
arXiv (CS.AI) 2026-06-16

A Causal Model of Theory of Mind in Conflict for Artificial Intelligence

arXiv:2606.16944v1 Announce Type: new Abstract: Theory of mind (ToM), the capacity to ascribe mental states to others and use those ascriptions for prediction and inference, is widely assumed to be essential for effective human-machine integration. Existing AI-ToM models address how to mentalize, but leave the question of when largely unaddressed. The central question is: under what situational and agent-level conditions is ToM engagement causally warranted in conflict? This paper presents a structural causal model formalized as a directed acyclic graph (DAG), treating ToM as a mechanism activated by situational and agent-level conditions rather than as an always-on capacity. The model specifies four exogenous variables capturing situational and agent-level conditions, five endogenous mediators, and a mechanistic ToM node producing engagement states through three distinct causal pathways: a tractability pathway, a reasoning-depth pathway, and an enabling-cause pathway. The primary outcome is epistemic accuracy, which decouples social reasoning from behavioral policy and generalizes across social phenomena beyond conflict. The framework gives AI systems a principled, resource-rational decision procedure for mentalizing, with implications for efficiency, trust, and the development of robust artificial social intelligence. Simulation validation, empirical human-machine teaming studies, and ethical considerations arising from conflict-optimized mentalizing are discussed.

22.
bioRxiv (Bioinfo) 2026-06-23

EnrichViz: An Interactive R Shiny Application for Visualization of Pathway Enrichment Results from Omics Data

Authors:

Pathway and functional enrichment analysis is a cornerstone of omics data interpretation, enabling researchers to map differentially expressed proteins or genes onto curated biological processes, signaling cascades, and molecular functions. While tools such as Ingenuity Pathway Analysis (IPA), g:Profiler, and Enrichr are widely used to generate ranked enrichment results, translating these tabular outputs into clear, publication-ready figures remains a time-consuming step that typically requires custom scripting and familiarity with visualization libraries, a significant barrier for researchers without a computational background. Here we present EnrichViz, a self-contained, browser-based R Shiny application that enables interactive, code-free visualization of pathway and functional enrichment results from quantitative proteomics, transcriptomics, and metabolomics experiments. EnrichViz accepts three standard CSV files as input, a normalized abundance matrix, a sample annotation or metadata file, and enrichment results from any platform that exports tabular output, and produces six complementary, publication-ready visualizations: bar and bubble plots for ranking enriched terms by significance, chord diagrams for exploring pathway-molecule connectivity, clustered heatmaps for displaying Z-score normalized expression patterns across experimental groups, and boxplots or violin plots for examining the abundance distribution of individual proteins, genes, or metabolites. The application supports both raw p-values and pre-transformed -log10(p) values through automatic detection, and all plot parameters are adjustable in real time through a graphical sidebar. Every figure can be exported as a high-resolution PNG file at 300 dpi. EnrichViz is implemented in R using the Shiny, ggplot2, pheatmap, and circlize packages, and is freely available at https://rgmilian.shinyapps.io/EnrichViz/

23.
arXiv (quant-ph) 2026-06-15

Certifying Macroscopic Quantum Mechanics via Hypothesis Testing with Finite Data

arXiv:2506.22092v2 Announce Type: replace Abstract: We address the challenge of certifying quantum behavior with single macroscopic massive particles, subject to decoherence and finite data. We propose a hypothesis testing framework that distinguishes between classical and quantum mechanics based on position measurements. While interference pattern visibility in single-particle quantum superposition experiments has been commonly used as a sufficient criterion to falsify classical mechanics, we show that, from a hypothesis testing perspective, it is neither necessary nor efficient. Focusing on recent proposals to prepare macroscopic superposition states of levitated nanoparticles, we show that the likelihood ratio test – which leverages differences across the entire probability distribution – provides an exponential reduction in measurements needed to reach a given confidence level. These results generalize to a broad class of quantum states, and offer a principled, efficient method to falsify classical mechanics in interference experiments, relaxing the experimental constraints faced by current efforts to test quantum mechanics at the macroscopic scale.

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

Allure of Craquelure: A Variational-Generative Approach to Crack Detection in Paintings

Recent advances in imaging technologies, deep learning and numerical performance have enabled non-invasive detailed analysis of artworks, supporting their documentation and conservation. In particular, automated detection of craquelure in digitized paintings is crucial for assessing degradation and guiding restoration, yet remains challenging due to the possibly complex scenery and the visual similarity between cracks and crack-like artistic features such as brush strokes or hair. We propose a hybrid approach that models crack detection as an inverse problem, decomposing an observed image into a crack-free painting and a crack component. A deep generative model is employed as powerful prior for the underlying artwork, while crack structures are captured using a Mumford–Shah-type variational functional together with a crack prior. Joint optimization yields a pixel-level map of crack localizations in the painting.

25.
arXiv (quant-ph) 2026-06-17

Optimal Calibration of Quantum Network Links

arXiv:2606.18167v1 Announce Type: new Abstract: The reliable distribution of entanglement is essential for the effective operation of quantum networks. Due to fundamental differences between quantum and classical communication systems, it is necessary to develop specialised algorithms and protocols that also account for quantum-specific constraints. In this work, we focus on the issue of recalibration. As suggested by recent experimental studies, the process of local entanglement generation in a quantum link degrades over time due to environmental changes that have to be estimated and compensated via a calibration operation, during which the link is not available. Therefore, in such a quantum network, every link alternates between an activation period, during which it operates normally, and a calibration period, during which it cannot participate in the end-to-end entanglement distribution, thereby creating a trade-off between link quality (the fidelity of generated pairs, which decays during activation) and availability (the fraction of time the link is usable, which calibration reduces). We develop analytically a protocol for optimally assigning activation periods to each link in linear quantum repeater chains, subject to any general end-to-end fidelity requirements and local initial fidelity thresholds. Building on this foundation, we extend to general quantum networks, where multiple paths may cross at common links, proposing a heuristic approach evaluated in simulations and compared with a benchmark, numerical approach, and theoretical bounds.