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01.
arXiv (CS.AI) 2026-06-15

AFFORDANCE20Q: Evaluating Affordance Reasoning from Physical Properties

作者:
Yifan Jiang↗Meige Yang↗Zitong Li↗Jay Pujara↗

arXiv:2606.14240v1 Announce Type: new Abstract: Affordance reasoning, the inference of an object's action possibilities from its physical properties (e.g., shape and material), is fundamental to human physical understanding and increasingly critical for Large Language Models (LLMs). However, existing affordance benchmarks largely expose explicit object identities in the evaluation setup, allowing models to rely on memorized object-affordance mappings rather than reasoning over physical properties. To address this gap, we introduce Affordance20Q, a novel affordance reasoning benchmark formulated as a 20-Questions game without exposing the object's identity. In each game, the model identifies a hidden object's affordance from a candidate set by asking yes/no questions about its physical properties. Affordance20Q comprises 1,009 games over 454 objects and 59 affordances, all manually filtered, refined, and annotated. We conduct comprehensive experiments with 15 state-of-the-art LLMs and find a substantial gap (~20 points) compared to human performance. A KL-based information-gain (IG) analysis further shows that models fail to ask discriminating questions as the game progresses. To close the gap, we develop KB-Anchored Rule Induction (KARI), a pipeline based on LLMs that generates affordance rules grounded in evidence from knowledge bases (KBs). KARI improves open-source LLMs by up to 15.2 points, while the limited coverage of KBs hinders further gains. We release all our code and data at https://github.com/1171-jpg/Affordance20Q.git

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

Simple Domain Generalization Methods are Strong Baselines for Open Domain Generalization

作者:
Masashi Noguchi↗Shinichi Shirakawa↗

In real-world applications, a machine learning model is required to handle an open-set recognition (OSR), where unknown classes appear during the inference, in addition to a domain shift, where the data distribution differs between the training and inference phases. Domain generalization (DG) aims to handle the domain shift situation where the target domain of the inference phase is inaccessible during the model training. Open domain generalization (ODG) considers DG and OSR. Domain-augmented meta-learning (DAML) is a method targeting ODG; however, it has a complicated learning process. By contrast, although various DG methods have been proposed, they have not been evaluated in ODG situations. In this study, we comprehensively evaluate the existing DG methods in ODG and show that the two simple DG methods, CORrelation ALignment (CORAL) and maximum mean discrepancy (MMD), are competitive with DAML in several cases. In addition, we propose simple extensions of CORAL and MMD by introducing the techniques used in DAML, such as ensemble learning and Dirichlet mixup data augmentation. The experimental evaluation demonstrates that the extended CORAL and MMD can perform comparably to DAML with lower computational costs. This suggests that the simple DG methods and their simple extensions are strong baselines for ODG.

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03.
bioRxiv (Bioinfo) 2026-06-16

Accelerating String Comparison in RLZ Compressed Sequences via LCE Jumps

作者:
Varki↗Boucher↗

Relative Lempel-Ziv (RLZ) is an effective compression method for large, repetitive collections; however, the fundamental primitives required to elevate it from a passive archival format to a tractable representation for compressed construction have yet to be fully established. In this paper, we introduce an algorithmic framework for structurally comparing and lexicographically sorting sequences of RLZ factors. We characterize when direct factor comparisons are necessary and when they can be bypassed using RLZ specific shortcuts. We further introduce a method for extending truncated factors into right-maximal matches, enabling the recovery of matching statistics from the RLZ parse. Experimentally, RLZ sorting achieved speedups of up to 3.93x over character-based sorting. Together, these results advance the use of the RLZ format as a foundation for compressed construction.

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04.
arXiv (math.PR) 2026-06-17

Convergence Analysis of the Random Bisection Method

作者:
Ludovick Bouthat↗Philippe-Andr\'e Luneau↗Philippe Petitclerc↗

arXiv:2603.20483v2 Announce Type: replace-cross Abstract: We propose a generalized version of the bisection method where the cutting point between the two subintervals is chosen at random following an arbitrary distribution. We compute expected convergence rates with respect to any arbitrary a priori distribution for the position of the root in the initial interval and proved that it depends only on the the expectation $\mathbb{E}[c(1-c)]$ of the cut $c$. We also provide a generalization of the method for $K$ random cuts and study its convergence properties. Most probabilistic derivations are kept fairly simple for the ease of understanding of a larger audience. Our theoretical results are then validated numerically using statistical simulation.

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

Experimental quantum state learning with pairs of photons

作者:
C. Pria Dobney↗Johan Henaff↗Allen Kasum↗Rui Jie Tang↗Haru Mukumoto↗Mark Hillery↗Berthold-Georg Englert↗Aephraim Steinberg↗

arXiv:2606.16932v1 Announce Type: new Abstract: Tomography allows one to estimate the density matrix describing the state an ensemble of quantum systems are prepared in (for example, polarization tomography determines the polarization state of a beam of identically prepared photons). In general, it is not possible to uniquely decompose the density matrix into its pure state components. Agarwal et al. proposed a protocol which, for a mixture composed of any two pure states of a qubit (with arbitrary probabilities), allows an observer to infer not only the density matrix but the identity of those specific pure states and their weights - the additional requirement being that the qubits arrive in pairs, where both qubits in each pair are in the same state. We experimentally demonstrate this learning-from-pairs concept using photons in the polarization degree of freedom. We use tomography to measure a sequence of single photons and make use of their time-of-arrival information to 'pair up' the photons after the measurement. From here we are able to infer the photons' polarization states and their respective probabilities, and we demonstrate this for various different choices of polarization states and ratios. Finally, we investigate our ability to discriminate between two equal mixtures of distinct pairs of orthogonal polarization states. We find that on the order of approx. 10e4 photons is typically enough to achieve tomography fidelities of approximately 0.9999. This is sufficient to discriminate between two different preparations of the same mixed state, differing by angles of less than 5 degrees between the pure states used in the two preparations.

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06.
PLOS Medicine 2026-05-13

Contribution of nosocomial transmission to <i>Klebsiella pneumoniae</i> neonatal sepsis in Africa and South Asia: An observational study of infection clusters inferred from pathogen genomics and temporal data

作者:
Erkison Ewomazino Odih↗

by Erkison Ewomazino Odih, Jabir A. Abdulahi, Anne V. Amulele, Matthew Bates, Eva Heinz, Weiming Hu, Kajal Jain, Rindidzani Magobo, Courtney P. Olwagen, John M. Tembo, Tolbert Sonda, Jonathan Strysko, Caroline C. Tigoi, Kyle Bittinger, Jennifer Cornick, Ebenezer Foster-Nyarko, Wilson Gumbi, Steven M. Jones, Chileshe L. Musyani, Carolyn M. McGann, Ahmed M. Moustafa, Patrick Musicha, James C. L. Mwansa, Moreka L. Ndumba, Thomas D. Stanton, Donwilliams O. Omuoyo, Oliver Pearse, Laura T. Phillips, Paul J. Planet, Charlene M. C. Rodrigues, Fatou Secka, Kirsty Sands, Erin Theiller, Allan M. Zuza, Sulagna Basu, Grace J. Chan, Kenneth C. Iregbu, Jean-Baptiste Mazarati, Semaria Solomon Alemayehu, Timothy R. Walsh, Rabaab Zahra, Angela Dramowski, Sombo Fwoloshi, Appiah-Korang Labi, Lola Madrid, Noah Obeng-Nkrumah, David Ojok, Boaz D. Wadugu, Andrew C. Whitelaw, Anudita Bhargava, Atul Jindal, Ramesh K. Agarwal, Alexander M. Aiken, James A. Berkley, Susan E. Coffin, Nicholas A. Feasey, Nelesh P. Govender, Davidson H. Hamer, Shabir A. Madhi, Mari Jeeva Sankar, Kelly L. Wyres, Kathryn E. Holt Background Klebsiella pneumoniae is the leading cause of sepsis among neonates in low- and middle-income countries (LMICs) in Africa and Asia, contributing substantially to the overall burden of antimicrobial-resistant infections and mortality among neonates globally. Pathogen sequencing has been used to investigate case clusters and confirm nosocomial transmission in a small number of neonatal units. Here we utilise pathogen sequence data to estimate the fraction of K. pneumoniae neonatal sepsis attributable to nosocomial transmission in African and South Asian countries. Methods and findings We estimated the proportion of invasive K. pneumoniae disease involved in nosocomial transmission clusters in a given neonatal unit, using single-linkage clustering based on pairwise temporal and genetic distances estimated from bacterial whole-genome sequences aggregated from 10 contributing studies. Analysing 1,523 K. pneumoniae isolates from 27 units in 13 countries in Africa and South Asia between 2013 and 2023, we inferred 156 nosocomial transmission clusters, ranging from 2 to 188 neonates each (83 of the clusters comprised ≥3 cases). Overall, we estimated that 1,035 neonatal infections (68.0%) were part of nosocomial transmission clusters. Excluding the first infection in each cluster as a potential index case, we estimate at least 879 (57.7%) infections were acquired via nosocomial transmission. Sensitivity analyses showed that results were robust to the choice of genetic distance estimation methods and thresholds used to define clusters, and cluster estimates were stable over temporal distance thresholds ranging from 2 to 8 weeks. Isolates were mostly extended-spectrum beta-lactamase (ESBL) producers (90.9%) and included 172 multi-locus sequence types (STs). Fourteen STs, including several globally recognised multidrug-resistant lineages, were associated with transmission clusters at multiple units, and these were collectively responsible for two-thirds of all infections. Carriage of carbapenemase genes (adjusted odds ratio, aOR = 2.08 [95% confidence interval, CI: 1.04, 4.14]; p = 0.04) and ESBL genes (aOR = 2.48 [95% CI: 1.26, 4.90]; p = 0.006) were significantly positively associated with transmission in a logistic regression model with site as a covariate. Limitations of this study include the lack of sufficient clinical data to allow high-resolution investigation of transmission dynamics and lack of facility-level data to investigate contributors to the observed differences in transmission burden across sites. Conclusions Nosocomial transmission contributes to a substantial proportion of K. pneumoniae sepsis in neonatal care units in Africa and South Asia. Reducing transmission within these settings through improved infection prevention and control and other measures could substantially reduce the neonatal sepsis burden. A high burden of transmission clusters is associated with the same drug-resistant lineages that are recognised as high-risk clones associated with hospital outbreaks in high-income countries, indicating global connectivity of the antimicrobial-resistant pathogen population.

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07.
arXiv (math.PR) 2026-06-25

Large scale regularity and correlation length for almost length-minimizing random curves in the plane

作者:
Tobias Ried↗Christian Wagner↗

arXiv:2412.17625v2 Announce Type: replace-cross Abstract: We consider a model of random curves in the plane related to the large-scale behavior of the Random Field Ising Model (RFIM) at temperature zero in two space dimensions. Our work is motivated by attempts to quantify the Imry-Ma phenomenon concerning the rounding of the phase transition by quenched disorder, and connects to recent advances regarding the decay of correlations in the RFIM. We study a continuum model of minimal surfaces in two space dimensions subject to an external, quenched random field, and restrict ourselves to isotropic surface integrands. The random fields we consider behave like white noise on large scales with an ultra-violet regularization reminiscent of the lattice structure of the RFIM. We give a finer description of the minimizer below the length scale $ L_* $ starting from which the influence of boundary conditions is suppressed with a given probability, which has recently been shown to satisfy $ \log L_* \sim \varepsilon^{-\frac{4}{3}} $ in the amplitude $\varepsilon>0$ of the noise. More precisely, we prove flatness of the phase boundaries on scales $ L $ up to $ \log L \lesssim \varepsilon^{-\frac{4}{13}} $.

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08.
bioRxiv (Bioinfo) 2026-06-19

Simulation-based Bayesian deep learning enables uncertainty-aware tumor fraction estimation in cell-free DNA

作者:
Volkov↗Raitses-Gurevich↗Grad↗Shlayem↗Danilevsky↗Rubinek↗Gorfine↗Shomron↗

Background: Estimating tumor fraction from whole-genome cell-free DNA sequencing is critical for liquid biopsy, but is hampered by weak signals and baseline noise at low tumor fractions. Existing computational methods often require matched controls or large labeled datasets for training and lack uncertainty quantification. To address these gaps, we developed purNPE, a Bayesian deep-learning framework trained without labeled cancer cell-free DNA samples. Specifically, purNPE leverages a two-part generative model: one component simulates diverse tumor copy-number profiles based on evolutionary genealogies, while a second, data-driven component learns and replicates realistic sequencing background patterns from cancer-free cell-free DNA. By training a Neural Posterior Estimator on synthetic tumor profiles augmented with learned noise, purNPE performs amortized inference in milliseconds without needing a reference sample set at inference. Results: In a real-world pan-cancer cohort, purNPE achieved comparable performance with existing methods against orthogonal mutant-allele-fraction validation (MAE = 0.066). In silico and semi-synthetic experiments suggested analytical sensitivity around 1% tumor fraction under the evaluated conditions and showed strong classification accuracy in low tumor fractions (AUC = 0.98 for TF [&le;] 3% versus controls). Conclusions: This work provides a framework for using simulation-based inference to derive calibrated, uncertainty-aware TF estimates, offering a potential alternative to traditional data-dependent methods.

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09.
arXiv (CS.CV) 2026-06-18

When AUC Misleads: Polarization-Aware Evaluation of Deepfake Detectors under Domain Shift

作者:
Dat Nguyen↗Cosmin Radoi↗Romain Hermary↗Marcella Astrid↗Nesryne Mejri↗Enjie Ghorbel↗Djamila Aouada↗

Recent advances in generative AI, such as diffusion models and face-swapping tools, have enabled the creation of highly realistic deepfakes, leading to real-world harms including financial fraud and non-consensual explicit content. In response, deepfake detection has become an active research area, with recent methods increasingly focusing on improving generalization to unseen manipulations. This is typically evaluated using the Area Under the ROC Curve (AUC) measured separately across multiple datasets. However, such an evaluation fails to reflect real-world scenarios where detectors face a mixture of data sources and varying artifact types. To address this limitation, we introduce a novel metric, Cross-dataset AUC (Cross-AUC) that averages per-domain AUCs with a measure of prediction polarization for taking into account the robustness to domain shift. The polarization extent is quantified by the Wasserstein Distance between class score distributions. Cross-AUC not only assesses the generalization capabilities of deepfake detectors under domain shifts more realistically, but it is also interpretable as it better explains the reason behind a drop in performance. Experiments performed on seven benchmark datasets demonstrate its practical relevance.

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10.
arXiv (CS.LG) 2026-06-19

Fisher-Geometric Sharpness and the Implicit Bias of SGD toward Flat Minima

作者:
Md Sakir Ahmed↗Kumaresh Sarmah↗Hemen Dutta↗

arXiv:2606.20469v1 Announce Type: new Abstract: A widely held intuition in deep learning is that stochastic gradient descent (SGD) implicitly favors flat minima and that flat minima generalize better, but standard Euclidean measures of flatness such as the trace or maximum eigenvalue of the loss Hessian are not invariant under reparametrizations that preserve the network function, which undermines the theoretical foundations of this narrative. In this study we resolve this issue by grounding flatness in the Riemannian geometry of the statistical manifold induced by the Fisher Information Matrix (FIM). We define Riemannian sharpness mathematically and prove that it is invariant under smooth, function-preserving reparametrizations, which directly addresses the critique of Dinh et al. in the paper ``Sharp minima can generalize for deep nets''.We note that this invariance is a property of the true FIM; the diagonal empirical estimator used in practice (and in all experiments below) inherits invariance only approximately, and exact invariance under arbitrary reparametrizations would require structured estimators such as K-FAC. We formalize the gradient noise of mini-batch SGD as having a covariance structure proportional to the FIM, derive the stationary distribution of the resulting stochastic differential equation, and then show that the probability mass is exponentially concentrated at Riemannian-flat minima. A PAC-Bayes generalization bound controlled explicitly by SR formally links this geometric bias to test performance. Our experiments on MNIST and CIFAR-10 confirm that SR reliably tracks generalization in ways that Euclidean sharpness does not, and that its scaling with $\eta/B$ matches the theoretical predictions. Together these results provide a rigorous, reparametrization-invariant account of why flat minima generalize.

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11.
arXiv (CS.CL) 2026-06-24

Qwen-AgentWorld: Language World Models for General Agents

作者:
Yuxin Zuo↗Zikai Xiao↗Li Sheng↗Fei Huang↗Jianhong Tu↗Yuxuan Liu↗Tianyi Tang↗Xiaomeng Hu↗Yang Su↗Qingfeng Lan↗Yantao Liu↗Qin Zhu↗…

A world model predicts environment dynamics based on current observations and actions, serving as a core cognitive mechanism for reasoning and planning. In this work, we investigate how world modeling based on language models can further push the boundaries of general agents. (i) We first focus on building foundation models for agentic environment simulation. We introduce Qwen-AgentWorld-35B-A3B and Qwen-AgentWorld-397B-A17B, the first language world models capable of simulating agentic environments covering 7 domains via long chain-of-thought reasoning. Leveraging more than 10M environment interaction trajectories of 7 domains in real-world environments, we develop Qwen-AgentWorld through a three-stage training pipeline: CPT injects general-purpose world modeling capabilities from the state transition dynamics and augmented professional corpora, SFT activates next-state-prediction reasoning, and RL sharpens simulation fidelity through a tailored framework with hybrid rubric-and-rule rewards. To evaluate language world models, we present AgentWorldBench, a comprehensive benchmark constructed from real-world interactions of 5 frontier models on 9 established benchmarks. Empirical results demonstrate that Qwen-AgentWorld significantly outperforms existing frontier models. (ii) Beyond foundation models, we further investigate two complementary paradigms through which world modeling enhances general agents. First, as a decoupled environment simulator, Qwen-AgentWorld supports scalable and controllable simulation of thousands of real-world environments for agentic RL, yielding gains that surpass real-environment training alone. Second, as a unified agent foundation model, world-model training acts as a highly effective warm-up that improves downstream performance across 7 agentic benchmarks. Code: https://github.com/QwenLM/Qwen-AgentWorld

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

Querying Counterfactuals on Tissue Graphs with Supervised Disentanglement

作者:
Abdul Moeed↗Stefan Schrod↗Martin Rohbeck↗Marc Jan Bonder↗Pavlo Lutsik↗Oliver Stegle↗Daniel Dimitrov↗

arXiv:2606.08493v2 Announce Type: replace-cross Abstract: Tissue graph counterfactuals ask how a cell's expression would change under altered spatial neighbor contexts. Such queries are central to predicting cell behavior in tissues, but lack a unified definition, with existing methods targeting specific intervention types or treating cells as i.i.d. In this work, we first formalize tissue graph counterfactuals as a class of spatial interventions that either rewire connections between cells (edge perturbation) or modify the expression of their neighbors (node perturbation). We then introduce Cellina (https://cellina.readthedocs.io) - a framework that uses supervised disentanglement to decompose a cell's intrinsic state from its spatial context, using the latter as a conditioning input for counterfactual predictions. Across benchmarks spanning over 2.5 million spatially-resolved cells in colorectal cancer and mouse brain, Cellina outperforms spatially-informed and non-spatial competitors in in-silico graph perturbations, disentanglement, and scalability. Additionally, we show that Cellina reveals biologically distinct cancer subdomains in an unsupervised manner and enables targeted neighbor perturbation simulations.

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13.
arXiv (CS.CL) 2026-06-24

UOL@IDEM at BEA 2026 Shared Task 1: Neural Fusion and Feature-Rich Modeling for L1-Aware Vocabulary Difficulty Prediction

作者:
Nouran Khallaf↗Serge Sharoff↗

This paper describes UOL@IDEM's closed-track submission to the BEA 2026 shared task on L1-aware vocabulary difficulty prediction. We model the task as regression and train separate systems for Spanish, German, and Mandarin Chinese\footnote{Below we use Chinese for brevity.}. Our system combines multilingual contextual representations with engineered features capturing frequency, surface form, retrieval evidence, semantic alignment, cognate similarity, and masked-language-model predictability. Development results show consistent gains over the official closed-track baselines, with sentence-embedding encoders such as BGE-M3, multilingual E5, and LaBSE performing best. Official submissions achieve RMSE scores of 1.132, 1.037, and 0.891 for Spanish, German, and Chinese, respectively. Feature analysis identifies frequency as the most stable predictor, while contextual predictability, form similarity, retrieval, and semantic features provide complementary L1-sensitive signals. Error analysis shows strong ranking performance but weaker calibration for the easiest items, which are often overpredicted. See https://github.com/Nouran-Khallaf/UoL-IDEM-BEA2026-Vocabulary-Difficulty-Prediction

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14.
arXiv (CS.AI) 2026-06-19

SL-S4Wave: Self-Supervised Learning of Physiological Waveforms with Structured State Space Models

作者:
Feng Wu↗Harsh Deep↗Eric Lehman↗Sanyam Kapoor↗Guoshuai Zhao↗Rahul Krishnan↗Gari Clifford↗Li-wei H Lehman↗

arXiv:2606.19888v1 Announce Type: cross Abstract: Modeling long-sequence medical time series data, such as electrocardiograms (ECG), poses significant challenges due to high sampling rates, multichannel signal complexity, inherent noise, and limited labeled data. While recent self-supervised learning (SSL) methods, based on various encoder architectures such as convolutional neural networks, have been proposed to learn representations from unlabeled data, they often fall short in capturing long-range dependencies and noise-invariant features. Structured state space models (S4) excel at long-sequence modeling, but existing S4 architectures fail to capture the unique characteristics of multichannel physiological waveforms. In this work, we propose SL-S4Wave, a self-supervised learning framework that combines contrastive learning with a tailored encoder built on structured state space models. The encoder incorporates multi-layer global convolution using multiscale subkernels, enabling the capture of both fine-grained local patterns and long-range temporal dependencies in noisy, high-resolution multichannel waveforms. Extensive experiments on real-world datasets demonstrate that SL-S4Wave (1) consistently outperforms state-of-the-art supervised and self-supervised baselines in a challenging arrhythmia detection task, (2) achieves high performance with significantly fewer labeled examples, showcasing strong label efficiency, and (3) maintains robust performance on long waveform segments, highlighting its capacity to model complex temporal dynamics in long sequences that most existing approaches fail to efficiently model, and (4) transfers effectively to unseen arrhythmia types, underscoring its robust cross-domain generalization. We additionally evaluate SL-S4Wave on multiple EEG tasks, achieving superior performance over strong baselines, demonstrating generalizability of our approach beyond cardiac waveforms.

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15.
arXiv (CS.CL) 2026-06-18

IndicContextEval: A Benchmark for Evaluating Context Utilisation in Audio Large Language Models Across 8 Indic Languages

作者:
Sakshi Joshi↗Dhruv Subhash Rathi↗Sanskar Singh↗Eldho Ittan George↗R J Hari↗Kaushal Bhogale↗Mitesh M. Khapra↗

AudioLLMs enable speech recognition conditioned on textual prompts such as domain descriptions or entity lists. However, it remains unclear whether these models genuinely utilise such context or rely on parametric knowledge learned during pretraining. Existing benchmarks cannot answer this question because they evaluate transcription under fixed prompting conditions and rarely include explicit contextual inputs. We introduce IndicContextEval, a 56-hour multilingual benchmark of natural speech from 555 speakers across 8 Indian languages and 23 professional domains. We design a 7-level prompting framework that progressively introduces contextual signals, including metadata, natural-language descriptions, entity lists in English and native script, and adversarial prompts with incorrect entities. Evaluating five models reveals substantial differences in context utilisation behaviour, highlighting the need for explicit evaluation of contextual grounding in AudioLLMs.

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

TxBench-PP: Analyzing AI Agent Performance on Small-Molecule Preclinical Pharmacology

作者:
Hannah Le↗Ramesh Ramasamy↗Alex Urrutia↗Mahsa Yazdani↗Tim Proctor↗Kenny Workman↗

arXiv:2606.19245v1 Announce Type: new Abstract: Artificial intelligence (AI) agents promise to accelerate drug discovery by compressing interpretation and decision-making loops, but practical deployment requires trusted evaluation on realistic program decisions. We introduce TherapeuticsBench Preclinical Pharmacology (TxBench-PP), a verifiable benchmark for small-molecule preclinical pharmacology and the first focused slice of a broader TherapeuticsBench effort across drug-discovery stages and therapeutic modalities. TxBench-PP tests whether agents can recover accurate conclusions from real-world assay data rather than memorized facts from literature. The benchmark contains 100 evaluations indexed by program stage, assay type, and task structure, spanning mechanism-of-action (MoA) and pharmacodynamic (PD) reasoning, compound-target engagement, causal target validation, developability and safety, and translational efficacy. Agents receive realistic workflow snapshots, inspect files in a coding environment, and return structured answers graded deterministically. Across 16 model-harness configurations, comprising 11 models and 4,800 trajectories, no system reliably recovered preclinical pharmacology decisions. The strongest configuration, Claude Opus 4.8 / Pi, passed 59.3\% of endpoint attempts (178/300; 95\% CI, 51.1-67.6), followed by GPT-5.5 / Pi at 55.3\% (166/300; 47.0-63.6).

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17.
arXiv (CS.AI) 2026-06-12

An LLM System for Autonomous Variational Quantum Circuit Design

作者:
Kenya Sakka↗Wataru Mizukami↗Kosuke Mitarai↗

arXiv:2606.13380v1 Announce Type: cross Abstract: The design of high performing quantum circuits remains largely dependent on human expertise. We introduce an autonomous agentic framework that employs large language models (LLMs) to conduct iterative quantum circuit designs under explicit design constraints. Our system integrates seven components: Exploration, Generation, Discussion, Validation, Storage, Evaluation, and Review. These components form a closed-loop workflow that combines web-based knowledge acquisition, literature-grounded critique, executable code generation, and experimental feedback. We evaluate the framework on two tasks: quantum feature map construction for quantum machine learning and ansatz generation for variational quantum eigensolver applications in quantum chemistry. In image classification benchmarks, the best generated feature map outperforms representative quantum feature maps and, when scaled to larger qubit counts, surpasses the classical radial basis function kernel. In molecular ground state estimation across seven molecules, the generated ansatz attains competitive accuracy with widely used chemically inspired and hardware-efficient constructions while satisfying the imposed scaling constraints. These results establish LLM driven agentic system as a viable paradigm for automated quantum circuit design and illustrate how AI systems can participate in iterative scientific optimization workflows across scientific domains.

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18.
arXiv (quant-ph) 2026-06-19

Quantum-Accelerated Self-Consistent Field: A Hybrid Algorithm

作者:
Alexis Ralli↗Tim Weaving↗Thomas M. Bickley↗Peter V. Coveney↗Peter J. Love↗

arXiv:2606.20176v1 Announce Type: new Abstract: We present the Grover adaptive search self-consistent field (GAS-SCF) algorithm. GAS-SCF leverages quantum arithmetic to construct an efficient oracle that marks target states (Fock states) which improve upon some initial classical energy estimate. Amplitude amplification then increases the probability of measuring these states. This approach offers a theoretical quadratic speed-up for the optimization problem encountered in SCF quantum chemistry and establishes a baseline against which structured optimization algorithms, such as QAOA and DQI may be compared. In this work, we classically simulate three examples as proofs of concept of the algorithm, the largest consisting of 26 qubits. We then extend our analysis to two larger systems, with O3 representing the largest case at 330 qubits. These examples are chosen to probe classically challenging SCF regimes. Achieving chemically relevant applications of GAS-SCF will require large-scale, fault-tolerant quantum hardware.

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

ATHENA: Agentic Team for Hierarchical Evolutionary Numerical Algorithms

作者:
Juan Diego Toscano↗Daniel T. Chen↗George Em Karniadakis↗

arXiv:2512.03476v3 Announce Type: replace-cross Abstract: Progress in computational science depends on complex numerical workflows that must faithfully encode physical laws, yet translating conceptual insight into reliable code remains a major bottleneck. Although large language models can generate isolated code fragments, they lack the structured reasoning required to design, verify, and iteratively refine complete scientific pipelines. Here we introduce ATHENA, an agentic framework explicitly designed to emulate scientific research modeled as a knowledge-driven contextual bandit process. Its core loop separates conceptual policy from numerical realization through expert-derived conceptual scaffolding, enabling principled diagnosis, reformulation, and repair of computational strategies. Across scientific computing and scientific machine learning tasks, ATHENA autonomously derives and correctly applies exact analytical solutions, constructs stable numerical solvers, diagnoses ill-posed formulations, and orchestrates hybrid symbolic-numeric workflows. Quantitatively, ATHENA matches and frequently surpasses the accuracy of expert-authored reference solutions reported in the literature on canonical benchmarks. By reframing computation as an object of agentic reasoning, our framework enables autonomous orchestration of heterogeneous algorithms across scientific domains.

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

Goal-Autopilot: A Verifiable Anti-Fabrication Firewall for Unattended Long-Horizon Agents

作者:
Youwang Deng↗

Long-horizon LLM agents are not trusted to run unattended: with no human watching, they confidently report success they never verified. We treat honesty – bounding what an agent may claim at termination – as a first-class metric for unattended autonomy, distinct from capability. We present Autopilot, an execution model that makes silent fabricated success structurally impossible rather than merely rarer. Autopilot externalizes all working state into a durable, gated finite-state machine that a scheduler advances one stateless tick at a time; a hard floor forbids any terminal "done" claim whose falsifiable gate did not actually execute and pass. We prove a No-False-Success theorem – under gate soundness, floor enforcement, and plan coverage, termination implies the goal holds – whose only trust points are empirically measurable, and show the worst case degrades to an honest stall, never a fabricated success. Because each tick rehydrates only the state machine, per-step context cost is constant in the horizon. Across a 3,150-cell paired corpus (70 tasks $\times$ 3 systems $\times$ 3 models $\times$ 5 seeds, including 50 SWE-bench Lite tasks across 11 OSS repos), Autopilot fabricates on 0.95% of cells [95% CI 0.38–1.62] while Reflexion and StateFlow baselines fabricate on 8.10% [6.48–9.81] and 25.05% [22.48–27.62] respectively. The headline contrast lives in the hard regime: on SWE-bench Lite, the firewall reduces fabrication from 33.7% (StateFlow) to 0.67%, a paired difference of $-33.07$ pp [95% CI $-36.53, -29.73$]. The mechanism is the gate, not the model: all ten Autopilot fabrications come from the strongest model, while two weaker mid-tier models never fabricate across 700 paired cells. The firewall trades coverage for honesty by design – an honest stall is recoverable; a confident wrong output shipped downstream is not.

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21.
arXiv (CS.LG) 2026-06-12

How Much Memory Do We Need? Adaptive Memory Gate for Neural Operators

作者:
Jihyeon Hur↗Yongseok Kwon↗Min-Gi Jo↗Jeongwhan Choi↗Noseong Park↗

arXiv:2606.13443v1 Announce Type: new Abstract: Neural operators have emerged as a powerful data-driven approach for solving time-dependent PDEs. Among recent advances, memory-augmented neural operators explicitly incorporate past states and have achieved remarkable performance under low-resolution observation settings. However, existing approaches apply a fixed memory weight regardless of observation conditions, such as resolution or physical parameters, limiting their adaptability. Our preliminary experiments reveal that optimal memory weight varies with resolution and viscosity, implying that a fixed memory weight cannot simultaneously optimize performance across diverse settings. We propose AMGFNO, which dynamically modulates memory weight through a learnable gate. On the Kuramoto-Sivashinsky and Burgers' equations, AMGFNO achieves 55-79% nRMSE reduction over at low resolution, with the learned gate value automatically decreasing from $\bar{g} \approx 0.7$ to near-zero as resolution increases.

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22.
arXiv (CS.AI) 2026-06-15

HierSVA: A Data Synthesis Pipeline, Dataset, and Benchmark for LLM-Driven Hierarchical Hardware Formal Verification

作者:
Maohua Nie↗Jiang Zhu↗Jingqun Zhang↗Zhichen Zeng↗Jiayi Wang↗Sibo Zhang↗Jialin Wang↗C. -J. Richard Shi↗

arXiv:2606.13706v1 Announce Type: cross Abstract: We present HierSVA, an integrated suite that combines a pipeline, dataset, and benchmark for LLM-driven hierarchical hardware formal verification. HierSVA-SP pairs an RTL preprocessing toolchain with an LLM-in-the-loop formal verification flow to produce reference SystemVerilog Assertions (SVA) on hierarchical RTL. Applying it to BaseJump STL yields HierSVA-DS, a dataset of 342 modules, with hierarchy metadata and depths 0–9, accompanied by a deep subset of 28 module-bug pairs with natural-language specifications and bug variants. HierSVA-B decomposes assertion quality into six metric axes: syntax correctness, assertion proof success rate, vacuity, specification faithfulness, mutation coverage, and formal core coverage. Applying HierSVA-B to twelve recent LLMs reveals three findings. First, the module-level compile rate is 67.1\%; among generated assertions in evaluable runs, 82.1\% prove non-vacuously, but the corresponding assertion sets detect only 70.2\% of eligible injected faults and cover 36.2\% of the formal core. Second, on 211 evaluable model–module entries in the deep subset, assertion sets flag buggy RTL with 0.87 recall, but 40\% of predicted-buggy outcomes are false positives on correct RTL, limiting precision to 0.60. Third, agentic mode improves S1-style provability and strength metrics, but gains plateau and oscillate. Codes and artifacts are available at \href{https://github.com/HierSVAAnon/HierSVACodeAndArtifacts}{https://github.com/HierSVAAnon/HierSVACodeAndArtifacts}. Dataset is available at \href{https://huggingface.co/datasets/AnonymousHierSVA/HierSVA}{https://huggingface.co/datasets/AnonymousHierSVA/HierSVA}.

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

Density-Informed Pseudo-Counts for Calibrated Evidential Deep Learning

作者:
Pietro Carlotti↗Nevena Gligi\'c↗Arya Farahi↗

arXiv:2602.01477v2 Announce Type: replace-cross Abstract: Evidential Deep Learning (EDL) is a popular framework for uncertainty-aware classification that models predictive uncertainty via Dirichlet distributions parameterized by neural networks. Despite its popularity, its theoretical foundations and behavior under distributional shift remain poorly understood. In this work, we provide a principled statistical interpretation by proving that EDL training corresponds to amortized variational inference in a hierarchical Bayesian model with a tempered pseudo-likelihood. This perspective reveals a major drawback: standard EDL conflates epistemic and aleatoric uncertainty, leading to systematic overconfidence on out-of-distribution (OOD) inputs. To address this, we introduce Density-Informed Pseudo-count EDL (DIP-EDL), a new parametrization that decouples class prediction from the magnitude of uncertainty by separately estimating the conditional label distribution and the marginal covariate density. This separation preserves evidence in high-density regions while shrinking predictions toward a uniform prior for OOD data. Theoretically, we prove that DIP-EDL achieves asymptotic concentration. Empirically, we show that our method enhances interpretability and improves robustness and uncertainty calibration under distributional shift.

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

MultiMem: Measuring and Mitigating Memorization in Multi-Modal Contrastive Learning

作者:
Wenhao Wang↗Franziska Boenisch↗Michael Backes↗Adam Dziedzic↗

arXiv:2606.22220v2 Announce Type: replace-cross Abstract: Memorization in machine learning models enables high performance on rare in-distribution samples by capturing their atypical patterns. However, it also causes harmful retention of noise and outliers, degrading generalization. While memorization has been extensively studied in both supervised and self-supervised learning in the vision domain, it remains unexplored in multi-modal contrastive learning. We address this gap by introducing MultiMem, the first metric designed to quantify memorization in multi-modal contrastive learning. Through our systematic analysis, we demonstrate that cross-modal semantic misalignment has the strongest influence on memorization, with text being the dominant modality driving memorization, followed by video, image, and audio. We show that targeted augmentations applied across all modalities effectively reduce memorization as measured by our MultiMem metric and improve model performance. Overall, this work establishes the first framework for measuring and mitigating memorization in multi-modal contrastive learning, preventing harmful data retention and contributing to higher-performing models.

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25.
arXiv (CS.CV) 2026-06-16

Learning a Sampling-Free Variational DNN Plugin from Tiny Training Sets to Refine OOD Segmentation With Uncertainty Estimation

作者:
Jimut B. Pal↗Suyash P. Awate↗

Deep neural networks (DNNs) frequently fail to generalize to out-of-distribution (OOD) medical images because of variations in scanners and acquisition protocols. Retraining DNN models to address these distribution shifts is often impractical due to the high cost of acquiring and annotating new medical datasets. To address this, we introduce VarDeepPCA, a novel lightweight variational DNN framework designed to restore/refine degraded segmentation maps by leveraging intrinsic geometric priors. Unlike existing approaches that require target-domain data or extensive pre-training, our VarDeepPCA explicitly learns a distribution of valid anatomical geometries using only small in-distribution (ID) datasets. Theoretically, our novel variational learning framework leverages a reinterpretation of the softmax mapping to implicitly perform exact distribution modeling, thereby enabling computationally efficient, sampling-free learning and inference. This also enables VarDeepPCA to provide uncertainty estimates associated with its restored segmentation maps. We empirically validate our framework across 4 distinct clinical applications, using 14 publicly available datasets, involving segmentation of the myocardium, neuroretinal rim, prostate, and fetal head. Comparisons against 15 existing methods demonstrate that VarDeepPCA consistently restores segmentation maps produced by the existing methods on OOD data to (i) significantly improve anatomical plausibility of geometries and clinical utility of the segmentations, and (ii) significantly reduce errors, without needing any more training data than that used by existing methods.

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