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01.
arXiv (CS.LG) 2026-06-12

How Reliable are Fairness Audits with Unreliable Data?

arXiv:2506.23033v3 Announce Type: replace Abstract: Fairness audits are a key component of responsible machine-learning deployment. Yet, audit-recommendation reliability under incomplete protected-label access is still poorly understood. In this work, we focused on protected-label missingness in fairness mitigation audits. We introduced a seed-calibrated stress test to separate missingness effects from seed-to-seed movement already present under complete labels. Across ACS/Folktables tasks, missingness settings that retain some protected labels usually do not move selected mitigation methods beyond a complete-label seed-to-seed baseline. At $0%$ protected-label access, candidates collapse to an empirical-risk-minimization baseline and deterministic tie-breaking rather than revealing a broad missingness effect. We also found that threshold optimization can turn fairness gains on a single protected axis into intersectional harm above a seed baseline, and this threshold-optimizer finding persists under random-forest validation. Overall, our results highlight that protected-label missingness should be reported with seed-null calibration, candidate-set context, and intersectional consequences before it is treated as evidence of audit fragility.

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

LLMs Struggle to Measure What Distinguishes Students of Different Proficiency Levels: A Study of Item Discrimination in Reading Comprehension Assessment

Item discrimination is a fundamental psychometric property of educational assessment, which measures whether an item meaningfully distinguishes students with higher proficiency from students with lower proficiency. While various existing works have explored whether large language models (LLMs) can estimate item difficulty, it remains unclear whether they can capture item discrimination. In this work, we evaluate 42 proprietary and open-weight LLMs in zero-shot settings using two complementary approaches: direct discrimination prediction, where models explicitly estimate an item's discrimination value from its content, and response-based Classical Test Theory (CTT) calibration, where LLM answers are treated as synthetic student responses to compute discrimination scores. Our results show that direct prediction yields weak alignment with human-calibrated discrimination: the best-performing model reaches only a Spearman correlation of 0.152. Response-based CTT calibration provides a stronger but still limited signal, with the all-persona synthetic respondent pool reaching a Spearman correlation of 0.241. These findings highlight item discrimination as an open challenge for LLM-based psychometric evaluation: current LLMs contain non-random discrimination-relevant signal, but they do not yet reliably capture how assessment items distinguish human students.

03.
arXiv (quant-ph) 2026-06-11

Gate-tunable spin-valley transport via carrier velocity in monolayer WSe$_2$

arXiv:2606.12353v1 Announce Type: cross Abstract: We theoretically investigate spin- and valley-resolved quantum transport in monolayer tungsten diselenide (WSe$_2$) described by an effective massive Dirac Hamiltonian. Particular attention is devoted to a finite barrier region characterized by simultaneously modulated Fermi velocity and scalar potential. The barrier velocity $v_2$ is related to the external velocity $v_1$ through a velocity ratio $\xi=v_2/v_1$, motivated by an optical analogy with the Snell-Descartes law. The exact refraction condition depends on the full spin- and valley-resolved dispersion, and the simple ratio $\xi=v_2/v_1$ is recovered only in the massless, symmetric limit. The interplay of intrinsic spin-orbit coupling in the conduction and valence bands, quantified by $\lambda_c$ and $\lambda_v$, with spin- and valley-dependent Zeeman fields, $M_s$ and $M_v$, gives rise to substantial changes in the quasiparticle dispersion, leading to pronounced modifications of the transport characteristics. By solving the Dirac equation and enforcing current-conserving matching conditions at the interfaces, we compute the spin- and valley-dependent transmission probability and conductance. Our results demonstrate that the barrier velocity, scalar potential, incidence angle, incident energy, and barrier width serve as effective control parameters for transport, giving rise to strong anisotropy and resonant tunneling features. Furthermore, we show that both the magnitude and orientation of spin- and valley-polarized currents can be continuously tuned via velocity and potential modulation. These findings establish combined velocity and potential engineering as a powerful theoretical framework for controlling spin-valley physics in two-dimensional transition-metal dichalcogenides.

04.
arXiv (CS.LG) 2026-06-11

Integral Formulation of QENDy for Robust Nonlinear System Identification

arXiv:2606.11629v1 Announce Type: cross Abstract: This manuscript proposes an integral formulation of the newly defined quadratic embedding method for identifying nonlinear systems (QENDy). In the original algorithm, trajectory data points along with their time derivatives are used. Methods for calculating time derivatives make the algorithm sensitive to noise. Our integral formulation does not use the time derivatives. This results in a more robust method to learn the dynamics.

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

VinQA: Visual Elements Interleaved Long-form Answer Generation for Real-World Multimodal Document QA

Real-world documents combine text with tables, charts, photographs, and diagrams arranged in diverse layouts, yet existing research on multimodal large language models (MLLMs) for document QA predominantly produces text-only responses, underutilizing these visual elements. We introduce VinQA, a dataset for long-form answer generation where cited visual elements are explicitly interleaved with their supporting text and grounded in relevant document pages. To support this task, we study two encoding methods for feeding raw document page images into an MLLM, along with their visual-element citation mechanisms: (1) Page Encoding, which directly encodes full-page images with bounding boxes of visual elements and treats these boxed regions as citable units; and (2) Modality Encoding, which parses each page to extract text and crop visual elements, encodes them separately, and uses these cropped elements as citable units. In our experiments, we propose M-GroSE, a multimodal evaluation framework extending GroUSE to assess answers along four dimensions: completeness, answer relevancy, faithfulness, and unanswerability. We additionally report Visual Source F1 to directly measure visual citation accuracy. Although proprietary frontier models still achieve the best overall scores on the VinQA test split, fine-tuning open Qwen2.5-VL models on the training split substantially improves their performance and narrows this gap. Modality Encoding is initially more robust for complex documents with long text, many visual elements, and diverse citation requirements. After training on VinQA, however, Page Encoding reaches a comparable level, competing effectively even without the explicit parsing used in Modality Encoding. Finally, Visual G-Eval, an MLLM-based judge, confirms that fine-tuned models insert visual elements at semantically appropriate positions with faithful supporting text.

06.
Nature (Science) 2026-06-17

The EU needs to back its ambition to end animal testing with cash

作者: 未知作者

The European Union has declared that it wants to stop using animals in chemical safety testing. Its goal will need a timeline and a serious funding commitment. The European Union has declared that it wants to stop using animals in chemical safety testing. Its goal will need a timeline and a serious funding commitment.

07.
arXiv (CS.CL) 2026-06-11

Beyond representational alignment with brain-guided language models for robust reasoning

The correspondence between large language models (LLMs) and the neural mechanisms underlying human higher-order cognition remains insufficiently characterized. Given that language and reasoning in the human brain appear dissociable, an open question is whether LLMs align with neural signals from reasoning-related regions and whether such signals can improve them. Here, focusing on deductive reasoning, we show that LLM internal representations are not only partially aligned with task-fMRI activity but can also be directly enhanced by these signals. Using a neural-predictivity metric, we find that LLMs explain a substantial fraction of the explainable variance in reasoning-related regions at the aggregate level, whereas predictivity within specific reasoning types is lower, indicating both alignment and divergence. Building on this, we propose a brain-guided framework: we steer model representations along directions induced by the joint structure of model and brain representations, applying intervention at inference and fine-tuning during training. We demonstrate that task-evoked brain signals can directly enhance LLM reasoning, yielding gains orthogonal to language-only supervision across 10 LLMs (1.5B-72B), with transfer across reasoning types and up to 13\% absolute accuracy gain. Our results advance LLM-brain correspondences from correlation to guidance, establishing a brain-signal-driven pathway toward more robust and cognitively aligned AI.

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

PlaceRep: Geospatial Place Representation Learning from Large-Scale Point-of-Interest Data

arXiv:2507.02921v4 Announce Type: replace-cross Abstract: Learning effective representations of urban environments requires capturing spatial structure beyond fixed administrative boundaries. Existing geospatial representation learning approaches typically aggregate Points of Interest (POIs) into pre-defined administrative regions such as census units or ZIP code areas, assigning a single embedding to each region. However, POIs often form semantically meaningful groups that extend across, within, or beyond these boundaries, defining places that better reflect human activity and urban function. To address this limitation, we propose PlaceRep, a geospatial representation learning method that constructs place-level representations by clustering spatially and semantically related POIs. PlaceRep summarizes large-scale POI graphs from U.S. Foursquare data to produce general-purpose urban region embeddings while automatically identifying places across multiple spatial scales. By eliminating model pre-training, PlaceRep provides a scalable and efficient solution for multi-granular geospatial analysis. Experiments using the tasks of population density estimation and housing price prediction as downstream tasks show that PlaceRep outperforms most state-of-the-art graph-based geospatial representation learning methods and achieves up to a x100 speedup in generating region-level representations on large-scale POI graphs. The implementation of PlaceRep is available at https://github.com/mohammadhashemii/PlaceRep.

09.
arXiv (CS.AI) 2026-06-11

RoboNaldo: Accurate, Stable and Powerful Humanoid Soccer Shooting via Motion-Guided Curriculum Reinforcement Learning

arXiv:2606.11092v2 Announce Type: replace-cross Abstract: Elite humanoid soccer shooting requires whole-body stability, high-impulse whole-body interactions, and accuracy to targets. Motion tracking-driven reinforcement learning (RL) provides stability in whole-body movement coordination, but a fixed reference makes it hard to adapt to varied ball positions and strike timings; in contrast, task reward-driven RL struggles to explore and discover valid kicks from scratch. We therefore introduce RoboNaldo, a three-stage motion-guided curriculum RL framework for high-impulse humanoid interaction. A single human-kick reference is used as a scaffold and progressively shifts optimization towards shooting performance. The curriculum first learns a stable whole-body kicking prior, then adapts the kick to free-kick settings where the ball is stationary at random positions, and finally extends it to moving-ball shooting through a locomotion-command and kick-trigger interface. A high-level heuristic planner controls this interface during training, while alternative high-level controllers can drive the same low-level policy at inference. In simulation, RoboNaldo demonstrates free-kick shot error 48.6% lower and shoot velocity 2.96x than prior work baselines. In real world on a Unitree G1 with onboard perception, RoboNaldo attains 0.73 m and 0.86 m average target shooting error from 3 m away in free-kick and moving-ball cases, accordingly. And the post-contact ball velocity reaches 13.10 m/s, which is 59-71% of reported professional open-play shot speed. Project page: https://opendrivelab.com/RoboNaldo.

10.
arXiv (CS.LG) 2026-06-18

Estimating carbon pools in the European Shelf sea environment: replacing reanalysis by model-informed machine learning?

arXiv:2508.10178v3 Announce Type: replace-cross Abstract: Shelf seas are important for the economy and the carbon cycle, but shelf sea observations for carbon pools are often sparse, or highly uncertain. An alternative can be provided by carbon reanalyses (whether assimilating proxy variables, such as chlorophyll-$a$, or directly carbon), but these are often expensive to run. We propose to use a computationally cheap ensemble of neural networks (i.e. deep ensemble) to learn the relationship between the directly observable (atmospheric, riverine and ocean) variables and marine carbon pools from a coupled physics-biogeochemistry model. The deep ensemble was trained on a North-West European Shelf (NWES) physical-biogeochemistry model free run simulation. After training, the deep ensemble was run using inputs from the NWES reanalysis instead of the free run, demonstrating that it can efficiently predict several NWES carbon pools (e.g., detritus, zooplankton, heterotrophic bacteria) in much better agreement with the reanalysis than the free run, while also providing uncertainty information. We further show that the deep ensemble performs similarly well when it is driven directly by the observations assimilated into the reanalysis, with the limitation that carbon pools can then be predicted only at the observed locations and times. We focus on explainability of the results and demonstrate potential use of the deep ensembles for future climate what-if scenarios. We suggest that model-informed machine learning presents a viable alternative to expensive reanalyses and could complement observations, wherever they are missing and/or highly uncertain.

11.
arXiv (CS.LG) 2026-06-15

FreshRetailNet-LT: A Stockout-Annotated Censored Demand Dataset for Latent Demand Recovery and Forecasting in Fresh Retail

arXiv:2505.16319v4 Announce Type: replace Abstract: Accurate demand estimation is critical for the retail business in guiding the inventory and pricing policies of perishable products. However, it faces fundamental challenges from censored sales data during stockouts, where unobserved demand creates systemic policy biases. Existing datasets lack the temporal resolution and annotations needed to address this censoring effect. To fill this gap, we present FreshRetailNet-50K, the first large-scale benchmark for censored demand estimation. It comprises 50,000 store-product time series of detailed hourly sales data from 898 stores in 18 major cities, encompassing 863 perishable SKUs meticulously annotated for stockout events. The hourly stock status records unique to this dataset, combined with rich contextual covariates, including promotional discounts, precipitation, and temporal features, enable innovative research beyond existing solutions. We demonstrate one such use case of two-stage demand modeling: first, we reconstruct the latent demand during stockouts using precise hourly annotations. We then leverage the recovered demand to train robust demand forecasting models in the second stage. Experimental results show that this approach achieves a 2.73% improvement in prediction accuracy while reducing the systematic demand underestimation from 7.37% to near-zero bias. With unprecedented temporal granularity and comprehensive real-world information, FreshRetailNet-50K opens new research directions in demand imputation, perishable inventory optimization, and causal retail analytics. The unique annotation quality and scale of the dataset address long-standing limitations in retail AI, providing immediate solutions and a platform for future methodological innovation. The data (https://huggingface.co/datasets/Dingdong-Inc/FreshRetailNet-50K) and code (https://github.com/Dingdong-Inc/frn-50k-baseline}) are openly released.

12.
arXiv (quant-ph) 2026-06-11

Recirculating Quantum Photonic Networks for Fast Deterministic Quantum Information Processing

arXiv:2602.11033v2 Announce Type: replace Abstract: A fundamental challenge in photonics-based deterministic quantum information processing is to realize key transformations on time scales shorter than those of detrimental decoherence and loss mechanisms. This challenge has been addressed through device-focused approaches that aim to increase nonlinear interactions relative to decoherence rates. In this work, we adopt a complementary architecture-focused approach by proposing a recirculating quantum photonic network (RQPN) that minimizes the duration of quantum information processing tasks, thereby reducing the requirements on nonlinear interaction rates. The RQPN consists of a network of all-to-all connected nonlinear cavities with dynamically controlled waveguide couplings, and it processes information by capturing a photonic input state, recirculating photons between the cavities, and releasing a photonic output state. We demonstrate the RQPN's architectural advantage through two examples: first, we show that processing all qubits simultaneously yields faster operations than single- and two-qubit decompositions of the three-qubit Toffoli gate. Second, we demonstrate implementations of a measurement-free correction for single-photon loss, achieving up to seven-fold speedups and significantly improved hardware efficiency relative to state-of-the-art architecture proposals. Our work shows that a single hardware-efficient recirculating architecture substantially reduces the temporal overhead of multi-qubit gates and quantum error correction, thereby lowering the barrier to experimental realizations of deterministic photonic quantum information processing.

13.
medRxiv (Medicine) 2026-06-12

Disentangling Confounders from Pathology in Long-COVID Trajectory Prediction for Women: An Interpretable Large-Language-Model Approach

Objective. Post-acute sequelae of SARS-CoV-2 infection (PASC, "Long COVID") dispropor- tionately affects women, in whom hallmark symptoms–insomnia, fatigue, palpitations, cogni- tive difficulty–overlap with comorbidities and hormonal transitions such as menopause. This diagnostic overlap is a confounding problem: models that forecast future symptom severity risk attributing baseline physiological noise to viral pathology. We ask whether an interpretable, causally disentangled language model can separate true pathological signal from such con- founders while remaining competitive with strong predictors of future PASC severity

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

LabOSBench: Benchmarking Computer Use Agents for Scientific Instrument Control

arXiv:2606.16802v1 Announce Type: new Abstract: Current computer-use benchmarks primarily focus on software operation tasks in virtualized systems, whereas scientific instrumentation scenarios require coordinated control over complex interfaces, and feedback-driven parameter adjustment. However, directly evaluating agents on physical high-precision instruments is impractical due to high cost, safety risks, limited accessibility, and difficulty in ensuring reproducible evaluation. This motivates the need for a simulated yet realistic testbed that preserves the operational challenges of scientific instruments while enabling scalable and safe benchmarking. To this end, we introduce LabOSBench, a challenging benchmark for multimodal GUI agents built on a suite of web-based scientific-instrument simulators. Operating directly via a browser, LabOSBench avoids resource-heavy OS virtualization while supporting flexible task configuration and execution-based evaluation. Specifically, LabOSBench constructs 96 subtasks across eight instrument simulators, covering workflows from sample loading, alignment, parameter tuning, and data acquisition to result inspection. We evaluate general-purpose vision-language models, specialized GUI agent models, and advanced agentic frameworks at both subtask and end-to-end levels. Our experiments reveal that while existing agents can complete many structured GUI subtasks, they still struggle with feedback-driven operations and long-horizon workflow execution. Overall, LabOSBench provides a reproducible, low-cost testbed for advancing computer-using agents toward scientific-instrument control.

15.
arXiv (quant-ph) 2026-06-12

Observation of Non-Gaussian Magnon Dynamics in a Two-Dimensional Long-Range XY Model

arXiv:2606.13499v1 Announce Type: new Abstract: Non-Gaussian evolution of high-order spin correlations characterizes important properties of quantum many-body systems. In practice, decoherence, statistical fluctuation and miscalibration of experimental parameters all hinder the witness of non-Gaussian dynamics. Here we demonstrate the crossover between Gaussian and non-Gaussian dynamics on a two-dimensional XY model with long-range and spatially structured interaction using a trapped ion quantum simulator. We prepare different initial densities of magnon excitations and verify the dynamics of single-spin observables for the engineered Hamiltonian. Then we compare the high-order spin correlations with the mean-field solution and the Holstein-Primakoff approximation, and demonstrate the non-Gaussian behavior in a way independent of the calibration errors. Our work provides a verifiable path from classically simulatable dynamics to regimes where quantum advantage may emerge.

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

FeedEval: Pedagogically Aligned Evaluation of LLM-Generated Essay Feedback

Going beyond the prediction of numerical scores, recent research in automated essay scoring has increasingly emphasized the generation of high-quality feedback that provides justification and actionable guidance. To mitigate the high cost of expert annotation, prior work has commonly relied on LLM-generated feedback to train essay assessment models. However, such feedback is often incorporated without explicit quality validation, resulting in the propagation of noise in downstream applications. To address this limitation, we propose FeedEval, an LLM-based framework for evaluating LLM-generated essay feedback along three pedagogically grounded dimensions: specificity, helpfulness, and validity. FeedEval employs dimension-specialized LLM evaluators trained on datasets curated in this study to assess multiple feedback candidates and select high-quality feedback for downstream use. Experiments on the ASAP++ benchmark show that FeedEval closely aligns with human expert judgments and that essay scoring models trained with FeedEval-filtered high-quality feedback achieve superior scoring performance. Furthermore, revision experiments using small LLMs show that the high-quality feedback identified by FeedEval leads to more effective essay revisions. We release our code and curated datasets at: https://github.com/BBeeChu/FeedEval.git.

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

CASHEW: Stabilizing Multimodal Reasoning via Iterative Trajectory Aggregation

Vision-language models achieve strong performance across a wide range of multimodal understanding and reasoning tasks, yet their multi-step reasoning remains unstable. Repeated sampling over the same input often produces divergent reasoning trajectories and inconsistent final predictions. To address this, we introduce two complementary approaches inspired by test-time scaling: (1) CASHEW, an inference-time framework that stabilizes reasoning by iteratively aggregating multiple candidate trajectories into higher-quality reasoning traces, with explicit visual verification filtering hallucinated steps and grounding reasoning in visual evidence, and (2) CASHEW-RL, a learned variant that internalizes this aggregation behavior within a single model. CASHEW-RL is trained using Group Sequence Policy Optimization (GSPO) with a composite reward that encourages correct answers grounded in minimal yet sufficient visual evidence, while adaptively allocating reasoning effort based on task difficulty. This training objective enables robust self-aggregation at inference. Extensive experiments on 13 image understanding, video understanding, and video reasoning benchmarks show significant performance improvements, including gains of up to +26.2 percentage points on ScienceQA and +9.1 percentage points on EgoSchema.

18.
bioRxiv (Bioinfo) 2026-06-11

GermRL: Alleviating The Germline Bias In Autoregressive Antibody Language Models Through Reinforcement Learning

Antibodies are powerful therapeutics whose antigen specificity arises from sequence diversity shaped during development. Recently, language models trained on large antibody repertoire datasets have enabled the generation and screening of novel candidates, but these models retain a strong germline bias. As AI adoption increases in therapeutic workflows, it is crucial to develop models that harness the diversity of antibodies necessary for the discovery of mutations that encode desirable properties. Previous work explored the germline bias in masked antibody language models, yet the bias in generative autoregressive language models has not yet been addressed. Here, we present GermRL, a lightweight and modular reinforcement learning (RL) framework capable of alleviating the germline bias in pre-trained antibody autoregressive language models through group relative policy optimization (GRPO). GermRL achieves consistent one-shot generation of antibodies that satisfy specified mutation thresholds from germline while maintaining structural plausibility. Under the lowest and highest mutation thresholds tested (5 and 35 mutations from germline), GermRL scores 0.992 and 0.950 pass@1, respectively, compared to 0.398 and 0.034 for the pre-trained language model. Within GermRL, we introduce a key pair of modifications to GRPO that increase training efficiency by discouraging reward hacking under our antibody application. Furthermore, comparison of RL generated and natural antibody sequences reveals how RL based optimization can explore alternative evolutionary mutational patterns and residue compositional strategies while preserving key global properties of natural antibodies, including identifiable germline assignments, embedding-level similarity and comparable developability profiles. Thus, RL-trained generative models optimized to promote antibody mutations through diversity from germline provide a promising framework for navigating the antibody sequence landscape, enabling exploration of novel yet biologically plausible candidates for therapeutic design.

19.
arXiv (CS.LG) 2026-06-16

Communication-Efficient Neural Tangent Kernels for Heterogeneous Decentralized Federated Learning

作者:

arXiv:2512.12737v2 Announce Type: replace Abstract: Decentralized federated learning (DFL) enables collaborative model training without a central server, but converges slowly under statistical heterogeneity. Recent work has shown that neural tangent kernel (NTK) methods achieve faster convergence than gradient-based updates in DFL, while momentum has proven effective for accelerating gradient-based FL. However, applying momentum to NTK updates can destabilize training under heterogeneous data. We propose SPARK, which addresses this instability with a stage-wise annealed soft-label regularizer evaluated on neighborhood-aggregated data, so that momentum can accelerate NTK updates stably. Under high heterogeneity, SPARK converges about 3$\times$ faster than baselines and lowers the total communication to a target accuracy by up to about 70\%, and it attains higher accuracy across heterogeneity levels. We further study random projection as an optional Jacobian-compression strategy for bandwidth-constrained settings. We validate the approach across multiple datasets, network topologies, and heterogeneity levels.

20.
PLOS Computational Biology 2026-06-11

A zero-parameter first-principles gate framework for full-length TP53 missense variant interpretation

by Masamichi Iizumi Missense variant interpretation often achieves useful predictive performance but remains mechanistically opaque, particularly in proteins that combine structured domains with intrinsically disordered regions (IDRs). We developed Gate & Channel, a zero-parameter, first-principles framework for full-length TP53 missense variant analysis in which each prediction is generated by explicit IF-THEN gates derived from physicochemistry, geometry, structural constraints, and polymer physics rather than fitted weights. Variants are evaluated across independent channels representing distinct physical failure modes; a variant is predicted disruptive if any gate closes. A second hierarchical layer (“Geta”) encodes physically grounded post-closure exceptions, allowing sensitivity and specificity to be improved on disjoint variant populations. The v18 framework consists of 12 channels and 2 Getas spanning structured domains and IDRs, capturing DNA-contact disruption, Zn coordination, burial-dependent packing, secondary-structure compatibility, post-translational modification chemistry, short linear motif disruption (including a multi-partner coupled-folding face), proline-directed kinase recognition, and IDR-specific proline and glycine backbone constraints. Across 1,369 TP53 missense variants, the framework achieved 84.5% sensitivity and 89.1% positive predictive value, with 90.9% sensitivity preserved in the DNA-binding core and all 9/9 hotspot mutations captured. A post hoc audit of discordant IDR calls indicated that many apparent false positives had plausible molecular rationales, consistent with a distinction between molecular mechanism disruption and clinical penetrance. Applied to KRAS, TDP-43, and BRCA1, the same channels capture the dominant pathogenic mechanisms in each protein as a proof of principle, while residual missed variants name specific gates yet to be written. The framework is distributed as the open-source Python package pathogenicity-gates (v0.5.1, MIT). These results show that a substantial fraction of full-length TP53 missense variation can be resolved through explicit, auditable physical gates that carry meaning beyond TP53, with each remaining failure naming the next rule to be written.

21.
arXiv (CS.LG) 2026-06-19

MolGraphBench: A Benchmark of GNN Architectures for Molecular Regression Tasks

arXiv:2602.20573v3 Announce Type: replace Abstract: Molecules are often represented as SMILES strings, which can be readily converted to hand-crafted descriptors or fingerprints (FP) for molecular property prediction. Research has demonstrated that SMILES can be converted to molecular graphs $G = (V, E)$, with atoms as nodes $(V)$ and bonds as edges $(E)$. These molecular graphs can subsequently be used to train graph neural networks (GNN) models. Despite the recent surge in application of GNN (existing and novel architectures) for molecular property prediction, a rigorous benchmark is still lacking. We propose MolGraphBench, a comprehensive benchmark of four commonly used GNN models for molecular property prediction. Benchmarking results demonstrate graph convolutional network (GCN) and graph isomorphism networks (GIN) as the optimal GNN architectures for molecular graph regression tasks, based on absolute performance, training efficiency, transfer learning and prediction quality. The study also indicates the non-complementary nature of molecular fingerprints in the fusion (GNN-FP) framework. Furthermore, our GNN models achieved performance superior or comparable performance to current state-of-the-art GNN baselines across three datasets (GCN with RMSE of $0.518$ on B3DB, GIN-FP with RMSE of $1.022$ on FreeSolv and GIN with MAE of $63.783$ on RT datasets). Findings from this study indicate that type of GNN-layer, should be treated as a tunable hyperparameter rather than a fixed design choice to achieve superior performance.

22.
arXiv (CS.CL) 2026-06-16

From Affect Prediction to Affect Forecasting: Evidence for Distinct Information Sources in Longitudinal Text

Modeling dimensional affect in longitudinal text requires distinguishing current affect estimation from future affective change forecasting. Existing approaches often treat each text as an independent observation and apply similar assumptions to both tasks, without testing whether they rely on different information sources. This paper investigates that distinction using longitudinal self-reported ecological essays and feeling-word entries. We propose the Trait–State Affective Prediction (TSAP) framework and its temporal extension E-TSAP for per-text valence and arousal prediction, evaluated on a held-out prediction test set of 1,737 entries from 91 users. We further propose the Affective Change Forecaster Hybrid (ACF-Hybrid) for next-step affective change forecasting, evaluated on a held-out forecasting test set of 46 users. For prediction, E-TSAP achieves composite Pearson correlations of 0.670 for valence and 0.449 for arousal. For forecasting, textual representations perform worse than compact numeric trajectory baselines: the text-inclusive model achieves only r=0.316 for valence and r=0.284 for arousal, whereas a simple prior-state baseline reaches r=0.615 and r=0.670, respectively. ACF-Hybrid, using dimension-specific numeric trajectory features, achieves r=0.659 for valence and $r=0.658$ for arousal. These results show that textual semantics support current affect prediction, whereas future affective change is better captured through prior numeric trajectory dynamics.

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

From Explicit Elements to Implicit Intent: A Predefined Library for Auditable Behavioral Inference

We present SemantiClean, a modular framework for extracting structured semantic signals from e-commerce session data and driving pluggable inference targets including purchase intent, customer segmentation, and product affinity through a shared element library. Unlike conventional end-to-end predictors that optimise solely for accuracy, SemantiClean prioritises auditability, structural governance, and sigma=0 reproducibility, explicitly trading marginal predictive gains for element-level transparency and defensible decision trails. Built upon the Online Shoppers Purchasing Intention (OSPI) dataset, the framework organises twenty-four behavioural elements into a four-layer architecture (Functional, Interaction, Systemic, Contextual) and enforces signal quality through three anti-inflation mechanisms: RedundancyGroup contribution caps, TieredPenaltyCalculator bias penalties, and AdaptiveConstraintMode cold-start protection.This report introduces the LLM-Integrated Semantic Inference Engine, a fully implemented two-phase LLM-driven inference architecture that leverages complete element metadata at inference time. All quantitative results reported herein are produced by this engine. Deterministic engine outputs remain fully reproducible (sigma=0); LLM-dependent results (E8, E10) are subject to controlled output variability under fixed provider/model/temperature settings. The gender inference target remains non-functional in the current implementation and is excluded from all quantitative results.

24.
arXiv (CS.CL) 2026-06-15

Abstracting Cross-Domain Action Sequences into Interpretable Workflows

Sequential or time-stamped interaction logs provide objective records of digital application usage, yet their granularity and noise often obscure meaningful insights into people's work. Such insights are essential for improving digital products in ways grounded in real-world user interactions. Prior research has applied deep learning models to cluster user actions into high-level activities, but these approaches are highly sensitive to noise and struggle to generalize across applications. To address this limitation, we introduce WorkflowView, a framework that uses large language models (LLMs) to abstract low-level action sequences into high-level activities. We establish the effectiveness and generality of our approach across three distinct, challenging sequential tasks and diverse domains: (a) zero-shot task description reconstruction from browser logs (achieving high semantic similarity, $\mu_{sim} = 0.91$), (b) few-shot student dropout prediction using MOOC interaction logs (reaching weighted $F_1 = 0.90$ with only five few-shot examples), and (c) anonymized, privacy-preserving analysis of AI tool integration within document workflows in Microsoft Word. Our work demonstrates that LLM-based abstraction is a robust and efficient path forward for transforming low-level behavioral data into high-level, interpretable, and actionable insights. We also discuss practical considerations for deploying LLM-based inferences within logging infrastructures, including computational efficiency and user privacy.

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

Belief-Space Control for Personalized Cancer Treatment via Active Inference

arXiv:2606.10376v2 Announce Type: replace Abstract: Cancer treatment is at the core a sequential decision-making problem with partial observability, latent patient heterogeneity, and explicit constraints on the budget for medical measurements. Unlike standard Reinforcement Learning (RL) approaches that control state trajectories, cancer treatments permanently modify patients' transition dynamics, changing how states evolve over time. We model cancer treatment as a belief-space planning problem using active inference, deriving an expected free-energy objective that unifies goal-directed control and information acquisition under measurement budgets without. We implement this framework using real clinical cancer data from the AACR Project GENIE Biopharma Collaborative dataset. Results on clinical data demonstrate a simultaneous patient categorization and high treatment efficacy, under real measurement and treatment constraints.