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01.
medRxiv (Medicine) 2026-06-11

Allostatic Load in Endometrial Cancer Disparities

Authors:
Bey↗G. S↗Bowen↗M. B↗Wu↗Boykin↗Bernard↗Zhang↗Melendez↗Celestino↗Batsis↗J. A↗…

Background: Endometrial cancer incidence and mortality are increasing, particularly among Black women and for aggressive subtypes. Allostatic load (AL), a composite measure of physiologic dysregulation across metabolic, cardiovascular, and immune systems, varies by racial category and tumor subtype in other cancers. Endometrial cancer is strongly associated with obesity, and it is unknown whether AL scores maintain sufficient heterogeneity to evaluate differences across subgroups or with clinical outcomes. Objective: To describe the performance of AL scoring in endometrial cancer patients and examine associations with tumor characteristics (grade/histology) and survival outcomes. Methods: We evaluated AL among 398 participants newly diagnosed with endometrial cancer. AL score was calculated by assigning 1 point for each ''high-risk'' value (by clinical reference range or distribution-based) for 15 biologic variables for vital signs, anthropometrics, blood-based biomarkers, and medical comorbidities. Results: Distribution-based thresholds for variables were used to preserve heterogeneity in this obesity-dominant context. Overall, 68.7% of Black women had high AL compared to White (56.7%), Hispanic (56.7%), and other race (32.3%) women. Decision tree analyses revealed grade-dependent associations between AL and survival. For women with low-grade tumors, higher AL was associated with poorer overall survival. For high-grade tumors, intermediate AL ([≥]4,

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02.
arXiv (CS.CL) 2026-06-16

GRACE: Step-Level Benchmark for Faithful Reasoning over Context

Authors:
Hoang Pham↗Dong Le↗Anh Tuan Luu↗

Many reasoning tasks require models to reason over input context, from document-grounded question answering to rule-based deduction. Chain-of-Thought (CoT) prompting produces traces that appear transparent, yet individual steps can silently deviate from the source evidence, even when the final answer is correct. Existing methods detect hallucinations at the response level but fail to identify where in the chain a failure occurs or what type it is. We introduce GRACE, the first human-annotated step-level faithfulness benchmark with a data-driven error taxonomy for context-grounded textual reasoning. GRACE covers CoT traces from 10 models across 4 source datasets, with each step annotated for faithfulness, error category, and natural language explanation. A data-driven taxonomy, discovered bottom-up via unsupervised clustering, organizes failures into two tracks: GRACE-Inference (deductive errors) and GRACE-Grounding (factual grounding errors), with four categories each. The evaluation set is human-annotated and challenging by design. Our experiments reveal substantial headroom for current models. In addition, integrating step-level faithfulness signals into reinforcement learning pipelines improves both downstream accuracy and reasoning reliability.

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03.
arXiv (CS.CV) 2026-06-16

Unified Multimodal Model for Brain MRI Imputation and Understanding

Authors:
Zhiyun Song↗Che Liu↗Tian Xia↗Avinash Kori↗Wenjia Bai↗

Multimodal large language models (MLLMs) hold great potential for medicine, as they inherit knowledge from LLM and allow multiple data modalities to be integrated, analysed and interpreted in natural language. However, the field of medical MLLMs is constrained by non-trivial challenges, notably the scarcity of high-quality training data and the frequent occurrence of missing data in the real-world clinical setting. Here, we propose a novel unified multimodal model, UniBrain, for brain magnetic resonance image (MRI) analysis. To address potential missing brain MRI modalities, we employ a unified training strategy to perform joint imaging modality imputation and brain image understanding. During training, an interleaved and description-enriched data flow is constructed to train the model in an autoregressive manner, enabling medical reasoning with generated multimodal data. A self-alignment strategy is introduced to leverage dense image embeddings to learn fine-grained anatomical features without requiring detailed image captions. Furthermore, we propose a dynamic hidden state mechanism to alleviate the exposure bias during long-context multimodal inference. Extensive experiments on multi-disease brain MRI dataset demonstrate that UniBrain achieves high performance for brain image imputation, understanding, and disease diagnosis under various extents of modality incompleteness.

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04.
arXiv (CS.LG) 2026-06-12

Thermodynamic assessment of machine learning models for solid-state synthesis prediction

Authors:
Jane Schlesinger↗Simon Hjaltason↗Nathan J. Szymanski↗Christopher J. Bartel↗

arXiv:2602.04075v2 Announce Type: replace-cross Abstract: Machine learning models have recently emerged to predict whether hypothetical solid-state materials can be synthesized. These models aim to circumvent direct first-principles modeling of solid-state phase transformations, instead learning from large databases of successfully synthesized materials. Here, we assess the alignment of several recently introduced synthesis prediction models with material and reaction thermodynamics, quantified by the energy with respect to the convex hull and a metric accounting for thermodynamic selectivity of enumerated synthesis reactions. A dataset of successful synthesis recipes was used to determine the likely bounds on both quantities beyond which materials can be deemed unlikely to be synthesized. With these bounds as context, thermodynamic quantities were computed using the CHGNet foundation potential for thousands of new hypothetical materials generated using the Chemeleon generative model. Four recently published machine learning models for synthesizability prediction were applied to this same dataset, and the resultant predictions were considered against computed thermodynamics. We find these models generally overpredict the likelihood of synthesis, but some model scores do trend with thermodynamic heuristics, assigning lower scores to materials that are less stable or do not have an available synthesis recipe that is calculated to be thermodynamically selective. In total, this work identifies existing gaps in machine learning models for materials synthesis and introduces a new approach to assess their quality in the absence of extensive negative examples (failed syntheses).

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05.
arXiv (CS.AI) 2026-06-15

Silent Failures in Federated Personalization of Foundation Models

Authors:
YongKyung Oh↗Alex Bui↗

arXiv:2606.00947v2 Announce Type: replace-cross Abstract: Foundation models are increasingly personalized on decentralized private data through federated learning and are now deployed at scale under growing regulatory requirements for post-market monitoring. We argue that this convergence creates a distinct and under-recognized class of trustworthiness failures, which we term "Silent Failures." These include amplified bias, fairness collapse, and alignment erosion that may remain difficult to detect because federated learning's privacy constraints limit visibility into model behavior. A landscape analysis of existing benchmarks reveals a structural divide. Federated benchmarks evaluate system performance but provide limited insight into model behavior, whereas centralized trustworthiness benchmarks assess behavior but require model access incompatible with federated privacy. We introduce a taxonomy of six silent failure modes arising from the interaction of foundation model personalization, dataset shift, and core federated constraints. Our analysis shows that privacy-preserving training alone is insufficient for trustworthy deployment. We conclude with a research agenda for privacy-preserving behavioral evaluation and propose that silent failures become a standard diagnostic category for trustworthy federated artificial intelligence.

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

Learning to Refine Hidden States for Reliable LLM Reasoning

Authors:
Chia-Hsuan Hsu↗Jui-Ming Yao↗

arXiv:2606.17524v1 Announce Type: new Abstract: Large language models show strong reasoning ability, but their internal reasoning process can remain unstable in complex multi-step settings, where early hidden-state errors may propagate to incorrect predictions. We propose ReLAR, a reinforcement-guided latent refinement framework that iteratively updates hidden representations before decoding. ReLAR maintains a compact latent reasoning state and uses learned depth and action controllers to adaptively determine both the number and direction of refinement steps. The controllers are trained with a policy gradient objective based on step-wise likelihood improvement, enabling efficient input-dependent reasoning without explicit chain-of-thought generation. Experiments on medical, mathematical, multi-hop reasoning, and open-ended generation benchmarks show that ReLAR improves accuracy, generation quality, and reasoning stability with substantially lower inference overhead than explicit reasoning baselines.

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07.
PLOS Computational Biology 2026-06-01

Supervised deep learning with gene functional annotation for cell classification

Authors:
Zhexiao Lin↗

by Zhexiao Lin, Yuanyuan Gao, Wei Sun Gene-by-gene differential expression analysis is a widely used supervised approach for interpreting single-cell RNA-sequencing (scRNA-seq) data. However, modern scRNA-seq datasets often contain large numbers of cells, leading to the identification of many differentially expressed genes with extremely small p-values but negligible effect sizes, thus making biological interpretation difficult. To overcome this challenge, we developed Supervised Deep learning with gene functional ANnotation (SDAN), a method that integrates gene functional annotation information (e.g., protein-protein interaction) with gene-expression profiles through a graph neural network. SDAN identifies functionally coherent gene sets that optimally classify cells, and the resulting cell-level classification scores can be aggregated to make individual-level predictions. We evaluated SDAN alongside three representative existing methods in three real-data applications aimed at identifying gene sets associated with severe COVID-19, dementia, and cancer immunotherapy response. Across all applications, SDAN consistently outperformed the alternative approaches by achieving two objectives simultaneously: accurate outcome classification and clear assignment of genes to functionally related gene sets.

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08.
arXiv (CS.AI) 2026-06-16

Green SARC: Predictive Cost and Carbon Governance for Agentic AI Systems

Authors:
Gaston Besanson↗

arXiv:2606.15954v1 Announce Type: cross Abstract: Agentic AI systems act through tools and sub-agents, yet the controls meant to bound their financial and environmental cost still sit on dashboards evaluated beside or after execution. Green SARC applies the SARC governance-by-architecture framework – four enforcement sites in the agent loop – to FinOps and GreenOps, contributing the theory of what to enforce and how to predict it. We report four policy-independent results. (i) The unconstrained "State Snowball" is $\Theta(n^2)$ in loop depth; on 3,000 real multi-step plans (SWE-rebench) it holds on 100%, with median curvature $\hat{c}_2=216$ exceeding the linear-accretion prediction $p/2=134$ – real plans accrete faster than the model. (ii) On real residuals the Normal-$\sigma$ gate under-covers (92% at nominal 95%); split-conformal calibration holds (95.2%). (iii) A soft Lagrangian penalty tuned to the budget in expectation breaches it on 91.5% of seeds; the architectural gate breaches 0%. (iv) Under binding budgets the gate's over-budget incidence is 0% on synthetic and real (BurstGPT) arrivals. End-to-end token/USD/carbon savings (47–55%) are real but policy-dependent in magnitude – set by a scope-cap knob, not by gate rejections. The library is open-source, dependency-free, and ships a regeneration script for every cited number.

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

Computational Identifiability

Authors:
Lucius E. J. Bynum↗Rajesh Ranganath↗Kyunghyun Cho↗

arXiv:2606.19361v1 Announce Type: cross Abstract: Identification conditions describe the computability of a target query or parameter of interest as a function of the type and amount of information available. In causal identification, this information is often expressed in the form of a causal graph, and data are observed or collected for some subset of variables in the graph. Target queries may be for a single effect alone or for a class of effects in a given model. The derivation of an identification algorithm then defines mathematically the process by which the desired causal effect(s) can be uniquely determined, theoretically, in expectation. Identifiability in expectation, or 'theoretical identifiability,' generally assumes asymptotic properties, infinite data, or other mathematically idealized conditions. In this paper, we explore a fundamental distinction between this theoretical, idealized notion of identifiability and a proposed alternative that is computation-bound. The framework we propose - 'computational identifiability' - is to instead define a finite computational search procedure for an empirical estimator. If this process finds an estimator empirically, within a desired error tolerance, then identifiability is satisfied, conditional on the specified assumptions of the search (i.e., a prior distribution over the parameters) and conditional on the search procedure itself. Through several experiments, we demonstrate how this framework allows us to answer fine-grained, practical identification questions, such as identification with small finite samples, with ambiguous graphical criteria, with mixed observational-interventional data, and across counterfactual data and estimands. Code is available at https://github.com/lbynum/metadentify.

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10.
arXiv (quant-ph) 2026-06-17

A matching decomposition algorithm for simulating quantum walk Hamiltonians

Authors:
Mostafa Atallah↗Alvin Gonzales↗Daniel Dilley↗Igor Gaidai↗Zain H. Saleem↗Rebekah Herrman↗

arXiv:2601.11418v3 Announce Type: replace Abstract: In this work, we present a new algorithm for generating quantum circuits that efficiently implement continuous time quantum walks on arbitrary simple sparse graphs. The algorithm, called matching decomposition, works by decomposing a continuous-time quantum walk Hamiltonian into a collection of exactly implementable Hamiltonians corresponding to matchings in the underlying graph followed by a novel graph compression algorithm that merges edges in the graph. We develop a greedy matching heuristic and a compression-aware matching heuristic, both of which can be used in the quantum circuit algorithm. Lastly, we convert the walks to a circuit and Trotterize over these components. The dynamics of the walker on each edge in the matching can be implemented in the circuit model as sequences of CX and CRx gates. We do not use Pauli decomposition when implementing walks along each matching. Furthermore, we compare greedy (compression-aware) matching decomposition to a standard Pauli-based simulation pipeline and find that greedy (compression-aware) matching decomposition consistently yields substantial resource reductions, requiring up to 43$\%$ (70\%) fewer controlled gates and up to 54$\%$ (75\%) shallower circuits than Pauli decomposition across multiple graph families. Finally, we also present examples and theoretical results for when matching decomposition can exactly simulate a continuous-time quantum walk on a graph.

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12.
arXiv (CS.CV) 2026-06-16

MambaH-Fit: Rethinking Hyper-surface Fitting-based Point Cloud Normal Estimation via State Space Modelling

Authors:
Weijia Wang↗Yuanzhi Su↗Pei-Gen Ye↗Yuan-Gen Wang↗

We present MambaH-Fit, a state space modelling framework tailored for hyper-surface fitting-based point cloud normal estimation. Existing normal estimation methods often fall short in modelling fine-grained geometric structures, thereby limiting the accuracy of the predicted normals. Recently, state space models (SSMs), particularly Mamba, have demonstrated strong modelling capability by capturing long-range dependencies with linear complexity and inspired adaptations to point cloud processing. However, existing Mamba-based approaches primarily focus on understanding global shape structures, leaving the modelling of local, fine-grained geometric details largely under-explored. To address the issues above, we first introduce an Attention-driven Hierarchical Feature Fusion (AHFF) scheme to adaptively fuse multi-scale point cloud patch features, significantly enhancing geometric context learning in local point cloud neighbourhoods. Building upon this, we further propose Patch-wise State Space Model (PSSM) that models point cloud patches as implicit hyper-surfaces via state dynamics, enabling effective fine-grained geometric understanding for normal prediction. Extensive experiments on benchmark datasets show that our method outperforms existing ones in terms of accuracy, robustness, and flexibility. Ablation studies further validate the contribution of the proposed components.

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

Toward Calibrated Mixture-of-Experts Under Distribution Shift

Authors:
Gina Wong↗Drew Prinster↗Suchi Saria↗Rama Chellappa↗Anqi Liu↗

arXiv:2606.20544v1 Announce Type: new Abstract: Calibration aligns a model's predictive uncertainty with the frequencies of its empirical outcomes and is important for understanding and trusting reported probabilities. Recent work shows that enforcing calibration at the level of individual predictors can improve ensemble accuracy and calibration, with mixture-of-experts (MoE) models showing strong empirical improvements in particular; however, the conditions under which calibration helps MoE are not well understood. In this work, we study how MoE models behave under distribution shift, focusing on how routing mechanisms interact with expert-level calibration. We show that expert calibration is sufficient to ensure calibration of the overall model under a broad class of distribution shifts in hard-routed models, but is insufficient for calibrating soft-routed models. To address this, we propose an adversarial reweighting that penalizes calibration errors of the routed aggregate under distribution shift, and we demonstrate that it improves the accuracy-calibration tradeoff both on average and on difficult subsets of the data, across model classes, prediction tasks, and distribution shifts.

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

Topological Data Analysis for High-Dimensional Dynamic Process Monitoring

Authors:
Angan Mukherjee↗Tyler A. Soderstrom↗Michael J. Kurtz↗Victor M. Zavala↗

arXiv:2606.20443v1 Announce Type: cross Abstract: Real-time process monitoring requires methods that extract actionable information from high-dimensional time-series data. In this work, we present a new approach for process monitoring that combines tools of topological data analysis (TDA) and machine learning. In the proposed approach, we represent multivariate time-series data as manifolds and use topological descriptors to summarize the structure of such data; we then use a neural ordinary differential equation to learn the dynamic evolution of the topological structure of the system. Using real data from an industrial process, we show that this trajectory-based event detection approach is effective at detecting diverse types of events. We contrast this approach against reconstruction-based approaches such as principal component analysis and autoencoders and against a trajectory-based approach that uses Koopman autoencoders.

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16.
arXiv (CS.AI) 2026-06-17

MathVis-Fine: Aligning Visual Supervision with Necessity via Progressive Dependency-Guided Training for Multimodal Mathematical Reasoning

Authors:
Wanshi Xu↗Haokun Zhao↗Haidong Yuan↗Songjun Cao↗Long Ma↗

arXiv:2606.17888v1 Announce Type: new Abstract: Chain-of-Thought (CoT) reasoning has extended from purely linguistic domains to multimodal scenarios; however, existing approaches often treat visual inputs as homogeneous or auxiliary signals, failing to capture the intricate and sample-specific dependencies between text and images in mathematical problem-solving. This gives rise to two core issues: first, the supervisory signals for visual content are generalized and coarse-grained, lacking adaptation to the actual necessity of visual information in each sample; second, training feedback becomes inaccurate when visual rewards are uniformly applied without distinguishing the complementary relationships among inputs. These limitations hinder models from achieving precise multimodal reasoning. In this work, we propose a framework for modeling fine-grained visual dependencies in mathematical reasoning. We first construct the MathVis-Fine dataset, augmenting fine-grained visual annotations with visual dependency ratings. Building upon this dataset, we introduce a two-stage progressive visual enhancement training paradigm that balances answer correctness rewards and visual grounding rewards according to the intrinsic visual dependency level of each sample, thereby mitigating reward bias and improving supervision accuracy. Extensive experiments demonstrate that the MathVis-Fine framework effectively enhances visual perception progressively based on visual dependency, offering a more precise training framework for multimodal mathematical reasoning. We will release the dataset upon acceptance.

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17.
arXiv (CS.AI) 2026-06-16

MBABench: Evaluating LLM Agents on End-to-End Spreadsheet Tasks in Finance

Authors:
Thomson Yen↗Julian Poeltl↗Harshith Srinivas Gear↗Yilin Meng↗Joshua Fan↗Adam Shen↗Yili Liu↗Ali Bauyrzhan↗Siri Du↗Haoyang Liu↗Daniel Guetta↗Hongseok Namkoong↗…

arXiv:2605.22664v3 Announce Type: replace Abstract: LLM agents are increasingly expected to carry out end-to-end workflows, producing complete artifacts from high-level user instructions. To meet enterprise needs, frontier AI labs have developed agents that can construct entire spreadsheets from scratch. This is especially relevant in finance, where core workflows such as financial modeling, forecasting, and scenario analysis are commonly conducted through spreadsheets. Yet, existing spreadsheet benchmarks do not measure this advanced capability, focusing instead on question-answering or single-formula edits. To address this gap, we provide one of the first evaluations of agents on end-to-end spreadsheet tasks, focusing on economically critical financial workflows such as modeling and scenario analysis. Since deliverables therein are routinely reviewed and revised by multiple stakeholders, judging their quality necessarily involves high-level criteria such as readability or ease of modification. To reflect the multidimensional nature of solution quality, we develop an evaluation taxonomy comprising three dimensions: Accuracy, Formula, and Format, each comprising fine-grained criteria that reflect professional standards. The Claude family leads the benchmark and produces the most professional-looking outputs in our qualitative review, but even the strongest agents frequently fall short of professional finance standards and degrade sharply as the difficulty increases beyond a few chained calculations. This suggests that current agents are not yet able to reliably produce professional-quality spreadsheets at the level of complexity real-world workflows demand.

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18.
arXiv (CS.AI) 2026-06-12

Evaluation Sovereignty in Metadata-Driven Classification: A Multi-Track Framework for Weakly Supervised Information Systems

Authors:
Raymond Vasquez↗

arXiv:2606.13436v1 Announce Type: new Abstract: Evaluation in machine learning is typically treated as a neutral measurement process. However, in operational information systems, evaluation outcomes are often conditioned by the processes used to generate labels. This paper does not seek to improve classification performance. Instead, it examines the validity of performance measurement under differing label-authority regimes. This issue is particularly relevant in large-scale metadata-driven systems, where labels are often incomplete, inconsistent, or weakly supervised. We introduce evaluation sovereignty, defined as the degree to which performance metrics are independent of label authority and supervision regime, and propose a multi-track evaluation framework that systematically varies training and evaluation label sources. Using hierarchical multi-label classification on large-scale scientific metadata, we demonstrate that models exhibiting strong performance under operational ("silver") evaluation degrade substantially under independent ("gold") evaluation, particularly for fine-grained classification. For example, Micro-F1 decreases from approximately 0.54 to 0.03. Notably, ranking-based metrics remain above baseline, revealing a divergence between latent model signal and classification validity. These findings suggest that commonly reported performance metrics may reflect alignment with labeling processes rather than true predictive capability. We therefore reconceptualize evaluation validity as a system-level property shaped by label governance and provide a practical methodology for auditing intelligent systems operating under weak supervision.

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

FedSPC: Shared Parameter Correction for Personalized Federated Learning

Authors:
Kannanthodath Induchoodan Ajay Menon↗Christian Prehofer↗Yunfei Xu↗Toru Hirano↗

arXiv:2606.13748v1 Announce Type: new Abstract: Personalized federated learning (PFL) is one of the important approaches in federated learning for addressing statistical heterogeneity while enabling client-specific adaptation. Many PFL methods split the model into shared and personalized parameters, which are jointly trained on each client. However, this creates an optimization issue: shared parameters are updated by clients optimizing different local objectives, which can lead to inconsistent shared updates and weaken the shared representation. To address this problem, we propose Federated Shared Parameter Correction (FedSPC), a modular correction method for PFL. FedSPC applies control-variate correction only to the shared parameters of a given PFL method, while leaving personalized parameters unchanged. It can be integrated into three common PFL settings: shared feature extractors, shared classifiers, and fully shared models with local regularization. Experiments on CIFAR-100 and Tiny-ImageNet with ViT, ResNet-34, and VGG-11 show that FedSPC improves performance across representative PFL methods, including FedPer, FedRep, FedBABU, LG-FedAvg, and Ditto.

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

Evaluating Bias in Phoneme-Based Automatic Speech Recognition Systems: An Analysis of IPA Transcription Models

Authors:
Catherine Bao↗Maneesha Rani Saha↗Neal Patwari↗

The popularization of automatic speech recognition (ASR) systems has increased exploration of the demographic biases related to race, age, gender, and accent, often formed from imbalanced training data. Most of these studies focused on standard grapheme-based ASR systems with comparatively little emphasis on phoneme-based systems, such as models that produce International Phonetic Alphabet (IPA) representations. As ASR systems shift toward multilingual support and low-resource language modeling, IPA-based layers serve as a critical, language-agnostic foundation. In this study, we evaluate the performance of two state-of-the-art open-source ASR systems, WhisperIPA and ZIPA, that generate IPA transcriptions across diverse accents and language sources. Our evaluation includes existing multilingual speech corpora and demographically annotated English-language corpora. We measure model performance by comparing model-generated IPA transcriptions against grapheme-to-phoneme (G2P) systems using both standard phoneme error rate (PER) and a proposed Soft PER metric that tolerates linguistically similar phoneme substitutions. Our analysis examines how performance varies across languages and demographic groups such as gender, accent, ethnicity, and age, revealing persistent disparities even after accounting for acceptable phonemic variation. These findings provide insight into potential sources of bias and inform the development of more inclusive and linguistically robust phoneme-based ASR systems. Our code and data will be made publicly available to the community.

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

Creative Collision: Directorial Persona Steering and Competition in Large Language Models

Authors:
Subramanyam Sahoo↗Justin Shenk↗

Activation steering has emerged as a powerful tool for shaping the behaviour of large language models at inference time, yet most prior work injects a single semantic direction into the residual stream. We study the richer setting in which two semantically opposing steering vectors are superimposed – a regime we call Creative Collision. Concretely, we construct directorial persona vectors for Steven Spielberg (optimistic, redemptive moral valence) and Martin Scorsese (dark, morally ambiguous) via mean-difference activation contrast on curated screenplay-derived corpora, then interpolate between them with a scalar mixing parameter $\alpha \in [0,1]$ and a steering coefficient $\lambda$. Across five evaluation axes – moral valence, generation coherence, surface style, directional dominance, and vector geometry – three principal findings emerge: (i)~Spielberg's representational signature exhibits robust directional dominance, suppressing Scorsese's moral influence across almost the entire interpolation range; (ii)~intermediate collision points paradoxically improve generation coherence relative to pure single-director steering at high $\lambda$; and (iii)~both personas localise maximally to layer~28 of a 40-layer decoder-only transformer, revealing a shared moral-tone substrate. These results illuminate the geometry of competing semantic directions in transformer residual streams and have direct implications for controllable creative generation and value-aligned narrative synthesis.

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22.
arXiv (quant-ph) 2026-06-16

Optimizing resource bounds in direct fidelity estimation

Authors:
Netanel Barel↗Lee Peleg↗Yotam Kadish↗Amit Ben Kish↗Yotam Shapira↗

arXiv:2606.16336v1 Announce Type: new Abstract: Direct fidelity estimation provides a way to estimate the fidelity between an experimentally prepared state and a desired pure target state without performing full tomography. Two influential formulations were introduced in 2011 by Flammia and Liu and by da Silva, Landon-Cardinal, and Poulin. In these protocols, the total estimation error is controlled through two distinct probabilistic steps: first, the fidelity is approximated using randomly sampled Pauli observables; second, each sampled expectation value is estimated from finitely many measurement outcomes. In this work we show that additional structural information about the noise can substantially sharpen the corresponding resource bounds. In particular, for some canonical channels the effective number of sampled Pauli settings can be reduced, leading to lower measurement cost both in the general pure-state setting and in the case of a stabilizer state. These results illustrate a broader point: worst-case confidence bounds in direct fidelity estimation can be significantly conservative when experimentally relevant structure is ignored. As a technical ingredient, we also revisit the allocation of the total accuracy and confidence budgets between the two probabilistic steps. Reformulating the analysis in terms of separate error parameters yields a constrained optimization problem whose solution lowers the average number of measurements in the general pure-state setting. Numerical simulations based on quantum circuits implemented in Qiskit illustrate both the improvement obtained under structured-noise assumptions and the conservativeness of the original worst-case bounds.

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23.
arXiv (CS.LG) 2026-06-11

My Chemical Harness: Evolutionary Molecular Design over Synthetic Pathways with Large Language Model Agents

Authors:
C\'esar Ojeda↗Darius A. Faroughy↗Maryam Karimi↗Payam Zarrintaj↗Mir Mehdi Seyedebrahimi↗Mart\'in Carballo-Pacheco↗

arXiv:2606.11256v1 Announce Type: cross Abstract: Designing molecules with target properties is most useful when candidate structures are accompanied by feasible synthetic routes. We introduce My Chemical Harness, a route-native evolutionary framework for goal-directed molecular design in which the search population consists of executable synthetic pathways rather than isolated molecular graphs. Each route is built from purchasable building blocks and reaction templates, executed by deterministic chemistry tools, and scored through task-specific molecular oracles. Large language models (LLMs) are used only as strategy controllers that select high-level preferences over route length, move type, reaction families, motifs, and exploration pressure, while local code performs route construction, validation, deduplication, scoring, selection, and memory updates. This separation lets the LLM guide exploration without allowing it to introduce hallucinated products or unsupported reaction steps. On a soluble epoxide hydrolase proxy task, our LLM agent improves over single pass LLM and deterministic controllers, reaching state-of-the-art performance across the sEH score, synthetic accessibility score, and AiZynthFinder success rate metrics. These results suggest that constrained LLM agents can play a significant role in molecular discovery without requiring training, fine-tuning, or dedicated generative models.

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24.
arXiv (CS.LG) 2026-06-17

Learning Survival Models with Right-Censored Reporting Delays

Authors:
Yuta Shikuri↗Hironori Fujisawa↗

arXiv:2510.04421v3 Announce Type: replace-cross Abstract: Survival analysis provides statistical methods to model the time until an event occurs. Reporting delays arise when event times are not observed at their occurrence but are only revealed upon reporting. This issue is particularly critical for timely risk evaluation when the observation window is short due to administrative censoring. In this study, we incorporate right-censored reporting delays by jointly modeling parametric hazards for the event and reporting processes. We then construct a consistent estimator for the model parameters and develop a Monte Carlo expectation-maximization algorithm to compute it. To address the challenges posed by administrative censoring, we leverage these findings and propose a transfer-learning procedure. Experimental results demonstrate that our method improves the accuracy of timely risk evaluation under administrative censoring.

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25.
arXiv (CS.LG) 2026-06-19

A Solver-Free Training Method for Predict-then-Optimize

Authors:
Beichen Wan↗Mo Liu↗

arXiv:2606.19587v1 Announce Type: cross Abstract: We propose a scalable method for training prediction (machine learning) models in the predict-then-optimize paradigm, where model outputs serve as coefficients for a subsequent linear optimization task. Directly minimizing the empirical decision regret is intractable for linear programming and combinatorial optimization since the decision mapping is piecewise constant, and the gradients are zero almost everywhere. While existing methods address this by smoothing the differentiation process, they suffer from scalability issues, since a computationally expensive solver call is required for every gradient evaluation. To address this, we propose a decision-focused learning pipeline based on a measure transformation principle, which yields a new surrogate loss that is completely optimization-solver-free during training. We establish theoretical guarantees, including Fisher consistency and excess risk bounds. Empirically, our method achieves decision quality competitive with state-of-the-art methods while reducing training time by orders of magnitude.

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