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

ResidualPlanner+: a scalable matrix mechanism for marginals and beyond

arXiv:2305.08175v5 Announce Type: replace-cross Abstract: Noisy marginals are a common form of confidentiality protecting data release and are useful for many downstream tasks such as contingency table analysis, construction of Bayesian networks, and even synthetic data generation. Privacy mechanisms that provide unbiased noisy answers to linear queries (such as marginals) are known as matrix mechanisms. We propose ResidualPlanner and ResidualPlanner+, two highly scalable matrix mechanisms. ResidualPlanner is both optimal and scalable for answering marginal queries with Gaussian noise, while ResidualPlanner+ provides support for more general workloads, such as combinations of marginals and range queries or prefix-sum queries. ResidualPlanner can optimize for many loss functions that can be written as a convex function of marginal variances (prior work was restricted to just one predefined objective function). ResidualPlanner can optimize the accuracy of marginals in large scale settings in seconds, even when the previous state of the art (HDMM) runs out of memory. It even runs on datasets with 100 attributes in a couple of minutes. Furthermore, ResidualPlanner can efficiently compute variance/covariance values for each marginal (prior methods quickly run out of memory, even for relatively small datasets). ResidualPlanner+ provides support for more complex workloads that combine marginal and range/prefix-sum queries (e.g., a marginal on race, a range query on age, and a combined race/age tabulation that answers age range queries for each race). It even supports custom user-defined workloads on different attributes. With this added flexibility, ResidualPlanner+ is not necessarily optimal, however it is still extremely scalable and outperforms the prior state-of-the-art (HDMM) on prefix-sum queries both in terms of accuracy and speed.

02.
arXiv (CS.AI) 2026-06-17

LLM-as-Judge in Education: A Curriculum-Grounded Marking Pipeline

arXiv:2606.17507v1 Announce Type: new Abstract: Generative AI and large language models (LLMs) are increasingly applied to question generation and automated assessment. However, deploying LLMs in preparation for high-stakes exams requires more than prompt engineering; it demands software pipelines that systematically ground model outputs in authorised curriculum artefacts and marking guidelines issued by education authorities. This paper presents a curriculum-grounded, configurable LLM-as-Judge pipeline for question-level marking, co-developed with an industrial partner, to support exam preparation for university admission. The pipeline identifies the relevant topics, subtopics, and cognitive demand of a question, and assembles verifiable and authorised context to support LLM judgement. Curriculum intent is operationalised through concrete syllabus artefacts, including prescribed verbs and outcomes, performance band descriptors, glossary definitions, and marking-guideline principles. A staged LLM workflow is employed to first generate question-specific rubrics, capturing structured expectations of performance, and then derive and evaluate marking criteria used to allocate marks to student responses. This design improves consistency, transparency, and alignment with official marking practices. Preliminary evaluation shows that the proposed LLM-as-Judge pipeline delivers marking outcomes comparable to human tutors, while yielding justifications that are more traceable to authorised curriculum artefacts and marking standards. The pipeline has also been integrated into an online study platform, where early deployment data provide initial insights into operational usage and manual overrides.

03.
arXiv (quant-ph) 2026-06-16

The Quantum Transition State

Authors:

arXiv:2606.10266v2 Announce Type: replace Abstract: The transition state – the critical configuration separating reactants from products – is the central organizing concept of chemical reaction rate theory, yet for nearly a century it has been thought to have no exact quantum counterpart: the recrossing-free, one-way flux through a transition state appears to demand simultaneous knowledge of position and momentum, in conflict with the uncertainty principle. We show this obstruction is illusory and construct the quantum transition state directly from the exact quantum flow. Its stable and unstable invariant manifolds intersect in a unique bounded trajectory – the quantum transition-state trajectory – anchoring a moving dividing surface that each reactive characteristic crosses exactly once, yielding a one-way flux of the standard quantum probability current. The geometric framework underlying classical transition-state theory thus survives intact in exact quantum mechanics, in a fundamentally quantum form.

04.
arXiv (CS.AI) 2026-06-16

RIDGECUT: Learning Graph Partitioning with Rings and Wedges

arXiv:2505.13986v4 Announce Type: replace-cross Abstract: Reinforcement learning (RL) has shown promise for combinatorial optimization problems on graphs by learning heuristics that generalize across instances. However, effectively incorporating domain knowledge into RL frameworks for graph partitioning remains challenging, as existing approaches typically rely on unconstrained node-level actions that lead to large action spaces and inefficient exploration. In this paper, we propose RidgeCut, an RL framework that constrains the action space to enforce structure-aware partitioning in the Normalized Cut problem. Using transportation networks as a motivating example, we introduce a novel concept that leverages domain knowledge about urban road topology – where natural partitions often take the form of concentric rings and radial wedges. By transforming the graph into linear or circular representations, our method enables the use of transformer-based policies and efficient learning via Proximal Policy Optimization. The resulting partitions from RidgeCut are not only aligned with expected spatial layouts but also achieve lower normalized cuts compared to existing methods. Experimental results on synthetic and real-world traffic graphs demonstrate that RidgeCut consistently outperforms existing methods while exhibiting strong inductive generalization across graph sizes. Although motivated by road networks, RidgeCut provides a general mechanism for embedding structural priors into RL frameworks for graph partitioning.

05.
arXiv (math.PR) 2026-06-17

On Injectivity of Phase Retrieval

Authors:

arXiv:2606.17922v1 Announce Type: cross Abstract: In this short note, we prove that if $A \in \mathbb C^{N \times M}$ with $N=4M-5$ has i.i.d.\ standard complex Gaussian entries, then the probability that the phase retrieval map generated by $A$ is not injective is positive. This proves Part (1) of a conjecture of Cynthia Vinzant, which was later restated by Afonso S. Bandeira in [BDL+26]. The main result of this paper was obtained using generative AI, in particular the Rethlas system.

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

GeoRanker: Distance-Aware Ranking for Worldwide Image Geolocalization

Worldwide image geolocalization-the task of predicting GPS coordinates from images taken anywhere on Earth-poses a fundamental challenge due to the vast diversity in visual content across regions. While recent approaches adopt a two-stage pipeline of retrieving candidates and selecting the best match, they typically rely on simplistic similarity heuristics and point-wise supervision, failing to model spatial relationships among candidates. In this paper, we propose GeoRanker, a distance-aware ranking framework that leverages large vision-language models to jointly encode query-candidate interactions and predict geographic proximity. In addition, we introduce a multi-order distance loss that ranks both absolute and relative distances, enabling the model to reason over structured spatial relationships. To support this, we curate GeoRanking, the first dataset explicitly designed for geographic ranking tasks with multimodal candidate information. GeoRanker achieves state-of-the-art results on two well-established benchmarks (IM2GPS3K and YFCC4K), significantly outperforming current best methods.

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

Improving Detection of Rare Nodes in Hierarchical Multi-Label Learning

arXiv:2602.08986v2 Announce Type: replace-cross Abstract: In hierarchical multi-label classification, a persistent challenge is enabling model predictions to reach deeper levels of the hierarchy for more detailed or fine-grained classifications. This difficulty partly arises from the natural rarity of certain classes (or hierarchical nodes) and the hierarchical constraint that ensures child nodes are almost always less frequent than their parents. To address this, we propose a weighted loss objective for neural networks that combines node-wise imbalance weighting with focal weighting components, the latter leveraging modern quantification of ensemble uncertainties. By emphasizing rare nodes rather than rare observations (data points), and focusing on uncertain nodes for each model output distribution during training, we observe improvements in recall by up to a factor of five on benchmark datasets, along with statistically significant gains in $F_{1}$ score. We also show our approach aids convolutional networks on challenging tasks, as in situations with suboptimal encoders or limited data.

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

FragFuse: Bypassing Access Control of Large Language Model Agents via Memory-Based Query Fragmentation and Fusion

arXiv:2606.15609v1 Announce Type: cross Abstract: Large language model (LLM) agents increasingly rely on long-term memory to support complex task execution, user personalization, and domain adaptation. Meanwhile, emerging access-control mechanisms for LLM agents are being explored to block policy-violating requests and prevent misuse. We reveal a novel attack surface arising from agent memory operations: prohibited content that would trigger access control can be fragmented across interactions, stored in long-term memory in benign-appearing form, and later reconstructed through memory retrieval without appearing explicitly in the final user query. We propose FragFuse, the first attack that enables unprivileged users to bypass agent access control by exploiting this temporal channel introduced by long-term memory. FragFuse operates in three stages: (1) identifying rejection-responsive fragments via black-box adaptive querying with fragment masking; (2) injecting these fragments into memory using marker carrier queries; and (3) retrieving and fusing the stored fragments through a follow-up attack query. Although FragFuse can be instantiated manually for individual agents, we further develop a surrogate-based optimization scheme that tunes fusion instructions and marker designs, enabling automated attack generation without violating the attacker's threat-model assumptions. We evaluate FragFuse across four representative agent settings and task domains, covering three state-of-the-art agent access-control mechanisms. FragFuse achieves an average bypass success rate of 86.3% and an average end-to-end harmful task success rate of 41.1% across all settings, with only 4.4% average task-success degradation compared with configurations without access control. We also show that alternative defenses, including state-of-the-art prompt-injection detectors and perplexity detectors, do not effectively address this attack.

09.
arXiv (CS.AI) 2026-06-16

The Missing Knowledge Layer in Cognitive Architectures for AI Agents

arXiv:2604.11364v2 Announce Type: replace Abstract: The two most influential cognitive architecture frameworks for AI agents, CoALA [21] and JEPA [12], both lack an explicit Knowledge layer with its own persistence semantics. This gap produces a category error: systems apply cognitive decay to factual claims, or treat facts and experiences with identical update mechanics. We survey persistence semantics across existing memory systems and identify eight convergence points, from Karpathy's LLM Knowledge Base [10] to the BEAM benchmark's near-zero contradiction-resolution scores [22], all pointing to related architectural gaps. We propose a four-layer decom position (Knowledge, Memory, Wisdom, Intelligence) where each layer has fundamentally different persistence semantics: indefinite supersession, Ebbinghaus decay, evidence-gated revision, and ephemeral inference respectively. Companion implementations in Python and Rust demonstrate the architectural separation is feasible. We borrow terminology from cognitive science as a useful analogy (the Knowledge/Memory distinction echoes Tulving's trichotomy), but our layers are engineering constructs justified by persistence-semantics requirements, not by neural architecture. We argue that these distinctions demand distinct persistence semantics in engineering implementations, and that no current framework or system provides this.

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

VGGHeads: 3D Multi Head Alignment with a Large-Scale Synthetic Dataset

Human head detection, keypoint estimation, and 3D head model fitting are essential tasks with many applications. However, traditional real-world datasets often suffer from bias, privacy, and ethical concerns, and they have been recorded in laboratory environments, which makes it difficult for trained models to generalize. Here, we introduce \method – a large-scale synthetic dataset generated with diffusion models for human head detection and 3D mesh estimation. Our dataset comprises over 1 million high-resolution images, each annotated with detailed 3D head meshes, facial landmarks, and bounding boxes. Using this dataset, we introduce a new model architecture capable of simultaneous head detection and head mesh reconstruction from a single image in a single step. Through extensive experimental evaluations, we demonstrate that models trained on our synthetic data achieve strong performance on real images. Furthermore, the versatility of our dataset makes it applicable across a broad spectrum of tasks, offering a general and comprehensive representation of human heads.

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

Optimising Temporary Accommodation Placement Across London with AI-Powered SaaS in E-Governance Systems

arXiv:2606.16652v1 Announce Type: cross Abstract: Temporary accommodation has become a major fiscal and administrative pressure for English local authorities, particularly in London, where demand and costs have risen sharply. This paper documents the creation and use of DOMUS, a cloud-based, AI-enabled decision-support system built from scratch at the University of East London and customised for the needs of London Borough of Newham to support statutory Temporary accommodation placement. DOMUS integrates household case records, policy-constrained affordability and suitability rules, and live private-rental listings within a single governance-aligned workflow. The system combines transparent, rule-based filtering with large language model-assisted search to standardise the application of bedroom need, affordability thresholds, geographic preferences, and accessibility requirements, while preserving officer discretion and audibility. Household and property attributes are encoded into policy-consistent representations prior to AI-assisted ranking and explanation. A pilot deployment in Newham's secure environment evaluated operational performance relative to manual workflows. Results indicate substantial reductions in search time, improved adherence to key placement constraints, and high staff satisfaction, while maintaining statutory compliance and role-based accountability. Beyond TA, the paper frames DOMUS as replicable digital public infrastructure: a modular, cloud-native Software-as-a-Service architecture that can be deployed across other UK boroughs and adapted to other public administration tasks characterised by scarcity, rule-bound eligibility, and high stakes. The findings demonstrate the feasibility of scalable, ethically governed AI deployment in local government and contribute to debates on AI-enabled public value creation in e-governance.

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

Using Seismic Statistical Features and VQ-VAE to Improve Spatiotemporal Seismicity Predictability

arXiv:2606.10069v2 Announce Type: replace Abstract: In this paper we build upon a previous study in which we demonstrated, using XGBoost and earthquake catalogue data from Japan and Chile, that a set of 60 seismic statistical features (SSFs) had much greater predictive value than a set of 428 generic time series features from the tsfresh package. We here extend this previous work in two key ways, focusing on data from Japan as a large dataset is necessary in order to allow for the training of a deep learning (autoencoder) model. First, we move from whole-region prediction (considering, for each candidate event, the likelihood of an event M $\geq$ 5.0 anywhere in the region in the next 15 days) to localised predictions in which both the region of feature computation and the region of prediction are restricted to a circle of radius 24 km around the candidate event, and we show that performance remains excellent, similar to our previous whole-region study for the same area. Second, we here couple this proven set of SSFs, based on one-dimensional (catalogue) data, with a novel feature based on two-dimensional seismic maps, obtained by training a VQ-VAE model to reproduce such maps as output and identifying a measure of its error in doing so with a localised build-up of crustal stress. We show that while localised prediction based on SSFs can be effective alone, with test AUC values as high as those obtained in the case of Japan in our previous whole-region study, the inclusion of the new natively-spatial VQ-VAE-derived feature, top-ranked by SHAP analysis, can enhance performance and additionally appears to near-wholly replace the traditionally-computed $b$-value in terms of feature usage.

13.
medRxiv (Medicine) 2026-06-10

Estimating COVID-19 Cumulative Incidence from Seroprevalence Surveys accounting for Time-Varying Seroreversion: A Fully Bayesian Methodology

Seroprevalence surveys reveal the extent of humoral immunity against pathogens such as severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), and under some circumstances represent cumulative incidence of prior infection. However, antibody waning - or seroreversion - biases these estimates by reducing assay sensitivity in a time-varying manner. Because assay sensitivity decays over time, naively using serosurveys can substantially bias estimates of SARS-CoV-2 cumulative incidence and fatality rates. The Bayesian assay-specific, time-varying sensitivity adjustment developed in this paper can reliably correct for this bias and account for the delay between infection and serosurvey. In seroprevalence studies conducted in the United States in 2020, adjusting for time-varying sensitivity increased cumulative incidence by up to 1.4-fold, with an adjustment of 1.08 for a national study. Our estimates contrast with a previously published 2-fold adjustment that did not account for assay design. This suggests that previous analyses overestimated cumulative incidence by applying seroreversion corrections that did not account for assay-specific effects, or underestimated cumulative incidence by not applying seroreversion corrections. These biases imply fatality rate underestimation and overestimation, respectively. Our model provides a framework for design-specific time-varying sensitivity corrections in seroprevalence surveys for other pathogens.

14.
arXiv (CS.LG) 2026-06-11

Counterexample Guided Learning in the Large using Reasoning Agents

arXiv:2606.11521v1 Announce Type: new Abstract: LLMs and LLM agents should improve when given feedback, but identifying when they are able to do so is difficult: feedback is heterogeneous, domain-specific, and difficult to control. We approach this challenge by asking LLMs to perform regular-expression induction, a classical symbolic learning problem where precise mechanisms for feedback exist in the form of counterexamples. In counterexample-guided learning, a learner (LLM) proposes candidate regular expressions from positive/negative-labeled strings, and the teacher (verifier) returns counterexamples showcasing the difference between the candidate and target languages. We identify novel counterexample-guided refinement strategies that enable effective regex learning, such as regularization and symbolic counterexample clusters. We also explore agentic strategies such as reflection and repair loops. Empirically, we find that verifier feedback substantially improves sample efficiency on challenging regex-induction tasks, reducing the number of labeled examples required and enabling learning of complex target expressions where standard prompting fails. For example, on the hardest task groups, our counterexample-guided framework improves success from 3.2% to 38.1% and from 38.9% to 74.1% on two different regex domains. These results suggest that LLMs can benefit from rich feedback beyond treating it as additional data, opening the door for robust verifier-guided methods for LLM-based program synthesis and formal reasoning.

15.
arXiv (CS.CV) 2026-06-15

Gefen: Optimized Stochastic Optimizer

AdamW is a default optimizer for modern deep learning, but its first and second moment states add roughly two parameter-sized buffers to training memory. We propose Gefen, a memory-efficient optimizer that automatically shares second-moment estimates across parameter blocks and quantizes the first moment using a learned codebook, thereby reducing AdamW's memory footprint by ~8x while maintaining the same performance, corresponding to a reduction of 6.5 GiB per billion parameters. The method is motivated by a theoretical result showing that large mixed Hessian entries constrain the ratio of squared gradients toward one, suggesting that Hessian-aligned parameters are natural candidates for sharing second-moment statistics. Since computing Hessians is impractical at scale, Gefen infers block structure from the initial squared gradients, requiring no architecture-specific metadata or hyperparameters beyond AdamW defaults. Gefen learns an exact histogram-based dynamic-programming quantization codebook and reuses the same blocks for first-moment scaling. Across diverse experiments, Gefen achieves the lowest peak optimizer memory among the compared AdamW-like methods while maintaining AdamW-level performance. In FSDP and DDP training, the reduced memory footprint enables larger microbatches and improves throughput significantly over AdamW, providing a practical drop-in replacement with lower memory usage that can increase throughput and enable training larger models or using larger batch sizes. We provide the complete Python implementation, including fused CUDA kernels at https://github.com/ndvbd/Gefen

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

Avoiding Exponential Blow-Up in Distributive Lattice Submodular Minimization

Authors:

Submodular function minimization has gained a lot of interest in recent years. They are highly applicable in the area of Computer Vision and Machine Learning. Often such applications require to work with submodular functions defined on distributive lattice. Current best way of dealing with it is using a transformation which extrapolates the submodular function for the respective boolean lattice. It makes optimization system too inefficient due to enlargement of the working space. Quantitatively, the expanded space has additional exponential (in set size) number of elements. We propose a generic framework for dealing with distributive lattice which only works within distributive lattice. Our framework allows one to use already established submodular function minimization algorithms for boolean lattice. In our experiment, we show the huge improvement in terms of running time over tranditional methods for handling distributive lattice.

17.
PLOS Medicine 2026-05-12

Social contact patterns in the United Kingdom following the COVID-19 pandemic: The Reconnect cross-sectional survey

by Lucy Goodfellow, Billy J. Quilty, Kevin van Zandvoort, W. John Edmunds Background Close-contact and respiratory infectious diseases are spread through social interactions. Measuring these interactions has transformed our ability to understand transmission and control these infections. Social contact patterns were disrupted during the COVID-19 pandemic and have been affected by wider demographic, cultural, and workplace changes since then. Methods and findings To estimate post-pandemic social contact patterns in the United Kingdom, we conducted a cross-sectional social contact survey from November 2024 to March 2025 on a nationally representative sample of participants. Interactions were captured by age, gender, and across socioeconomic status (SES) and ethnic groups. We calculated the mean number of daily contacts and contact matrices, stratified by variables of interest, using a negative binomial regression model weighted by age, gender, ethnic group, and weekday/weekend. 13,238 participants were recruited, 3,019 of whom were aged under 18 years old; survey response rates were 36% and 27% for adults and children, respectively. The mean number of daily contacts was 9.1 (95% confidence interval (CI): 8.7, 9.5); this figure was 13.8 (95% CI: 12.8, 14.9) for children, and 7.8 (95% CI: 7.4, 8.2) for adults. Higher numbers of contacts were positively associated with employment, household income, and educational qualifications held. Contact matrices showed high levels of age-assortativity, as well as inter-generational contacts in the home. Contacts were assortative between ethnic groups and SES in all settings; this effect was strongest between ethnic groups in the home, and between SES in the workplace. We constructed socially-stratified next-generation matrices for a novel respiratory pathogen, projecting that the majority White ethnic group would account for the largest share of new infections (76.7% (95% CI: 75.5, 77.9) of cases), but that per-capita infection risk would disproportionately affect minority ethnic groups, with the risk for the Black population being 2.27 (95% CI: 2.06, 2.51) times that of the White population. This study may be limited by the inherent recall biases and reporting fatigue involved with self-reporting contacts. Conclusions This study provides crucial data to inform post-pandemic mathematical models of infectious disease transmission, and allows ethnicity and SES to be incorporated in such models.

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

MLUBench: A Benchmark for Lifelong Unlearning Evaluation in MLLMs

arXiv:2606.12809v1 Announce Type: new Abstract: Multimodal large language models (MLLMs) are trained on massive multimodal data, making data unlearning increasingly important as data owners may request the removal of specific content. In practice, these requests often arrive sequentially over time, giving rise to the challenging problem of MLLM Lifelong Unlearning. However, most existing benchmarks are limited in scale and scope, failing to capture the complexities of MLLM lifelong unlearning. To fill this gap, we introduce the MLUBench, a large-scale and comprehensive benchmark featuring 127 entities across 9 classes under lifelong unlearning requests. We perform extensive experiments using MLUBench and reveal that existing unlearning methods suffer from severe, cumulative degradation. More critically, we further identify the unique challenge of this problem: unlike in unimodal models, MLLM lifelong unlearning is constrained by the need to preserve multimodal alignment. Continually unlearning from one modality could degrade the entire model. To alleviate this challenge, we propose LUMoE, an effective method. Experiments demonstrate that LUMoE significantly mitigates the degradation problem faced by baselines. The source code and the MLUBench dataset are open-sourced in https://github.com/lihe-maxsize/Lifelong_Unlearning_main.

19.
arXiv (CS.CL) 2026-06-17

DICE: Diffusion Large Language Models Excel at Generating CUDA Kernels

Diffusion large language models (dLLMs) have emerged as a compelling alternative to autoregressive (AR) LLMs, owing to their capacity for parallel token generation. This paradigm is particularly well-suited for code generation, where holistic structural planning and non-sequential refinement are critical. Despite this potential, tailoring dLLMs for CUDA kernel generation remains challenging, obstructed not only by the high specialization but also by the severe lack of high-quality training data. To address these challenges, we construct CuKe, an augmented supervised fine-tuning dataset optimized for high-performance CUDA kernels. On top of it, we propose a bi-phase curated reinforcement learning (BiC-RL) framework consisting of a CUDA kernel infilling stage and an end-to-end CUDA kernel generation stage. Leveraging this training framework, we introduce DICE, a series of diffusion large language models designed for CUDA kernel generation, spanning three parameter scales, 1.7B, 4B, and 8B. Extensive experiments on KernelBench demonstrate that DICE significantly outperforms both autoregressive and diffusion LLMs of comparable scale, establishing a new state-of-the-art for CUDA kernel generation.

20.
arXiv (CS.AI) 2026-06-18

Robust Regularized Policy Iteration under Transition Uncertainty

arXiv:2603.09344v3 Announce Type: replace Abstract: Offline reinforcement learning (RL) enables data-efficient and safe policy learning without online exploration, but its performance often degrades under distribution shift. The learned policy may visit out-of-distribution state-action pairs where value estimates and learned dynamics are unreliable. To address policy-induced extrapolation and transition uncertainty in a unified framework, we formulate offline RL as robust policy optimization, treating the transition kernel as a decision variable within an uncertainty set and optimizing the policy against the worst-case dynamics. We propose Robust Regularized Policy Iteration (RRPI), which replaces the intractable max-min bilevel objective with a tractable KL-regularized surrogate and derives an efficient policy iteration procedure based on a robust regularized Bellman operator. We provide theoretical guarantees by showing that the proposed operator is a $\gamma$-contraction and that iteratively updating the surrogate yields monotonic improvement of the original robust objective with convergence. Experiments on D4RL benchmarks demonstrate that RRPI achieves strong average performance, outperforming recent baselines including percentile-based methods on the majority of environments while remaining competitive on the rest. Moreover, RRPI exhibits robust performance by aligning lower $Q$-values with high epistemic uncertainty, which prevents the policy from executing unreliable out-of-distribution actions.

21.
arXiv (CS.LG) 2026-06-18

ThousandWorlds: A benchmark for climate emulation of potentially habitable exoplanets

arXiv:2606.18338v1 Announce Type: new Abstract: The search for life beyond Earth will depend on detecting faint signatures in the atmospheres of potentially habitable exoplanets. Interpreting those signatures requires understanding the host planet's climate: the same molecule may signal life on one planet and abiotic chemistry on another. Global climate models (GCMs) provide this understanding, but individual runs can require up to millions of core-hours and substantial domain expert time. Machine-learning emulators could remove this bottleneck, but progress has been limited by the absence of a curated, multi-model exoclimate dataset. We introduce ThousandWorlds, an ML-ready benchmark for exoclimate emulation and for the broader regime of low-data, multi-simulator, parameter-to-field regression. The dataset contains approximately 1800 simulations from five GCMs, mapping eight planet parameters to 3D atmospheric fields including temperature, humidity, winds, clouds, and radiation. Three nested subsets define progressively harder challenges: single-simulator regression, multi-simulator regression with complete observations, and multi-simulator regression with structured missingness. We propose two evaluation protocols: one for ranking methods, and one that measures performance relative to the disagreement between GCMs themselves. We evaluate seven baselines spanning simple methods, deep learning, and Gaussian processes. GP-based methods perform best, suggesting that ThousandWorlds exposes a regime where off-the-shelf deep learning does not yet succeed. Data: https://doi.org/10.57967/hf/8695. Code: https://github.com/edstevenson/ThousandWorlds.

23.
PLOS Computational Biology 2026-06-22

Beyond the canonical: The role of post-transcriptional regulation in drug-target interaction prediction

by Md Istiaq Ansari, Khandakar Tanvir Ahmed, Debby D. Wang, Kirill Medvedev, Wei Zhang Protein isoforms produced from the same gene through post-transcriptional regulatory mechanisms, such as alternative splicing, can substantially alter protein structure and function, including drug-binding properties. However, most existing drug-target interaction (DTI) and drug-target affinity (DTA) prediction models rely exclusively on a single representative protein sequence per gene, typically the canonical or longest isoform, thereby overlooking the functional diversity introduced by alternative isoforms. This assumption can introduce bias, limit generalizability, and compromise the biological validity of model predictions. In this study, we systematically investigate the impact of protein isoform variation on DTI prediction accuracy. Our results show that substituting the canonical sequence with an alternative isoform often leads to substantial declines in predictive performance. Structural and binding affinity analyses further reveal that these discrepancies are frequently associated with changes in predicted binding-site configurations, which we further examine through controlled perturbations of binding-site residues. These experiments suggest that even subtle alterations in binding regions can lead to inconsistent DTI predictions. Overall, our findings uncover a critical limitation in current DTI modeling frameworks and underscore the importance of incorporating isoform-specific information to better reflect biological reality and improve therapeutic relevance. The codes and datasets are available at https://github.com/compbiolabucf/DTIVariant.

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

Controlled Comparison of Machine Learning Models for Fault Classification and Localization in Power System Protection

arXiv:2510.00831v2 Announce Type: replace Abstract: The increasing complexity of modern power systems, driven by the integration of inverter-based and distributed energy resources, challenges the reliability of conventional protection schemes and motivates the use of machine learning for protection tasks. However, published results are often difficult to compare because datasets, sensing assumptions, and decision horizons vary across studies. This paper presents a controlled comparison of machine learning models for fault classification (FC) and fault localization (FL) under identical sensing, timing, and validation conditions on a common electromagnetic transient dataset, using decision windows of 10-50 ms to reflect protection-relevant time scales. For FC, the best-performing nonlinear models achieve F1 scores above 0.98 already at 10 ms, while lower-capacity models degrade at shorter horizons but improve with longer windows, indicating that relevant fault-type information is already present in the earliest transient. For FL, the top-performing models reach a stable localization error of about 10 % of normalized line length across all evaluated horizons, while weaker models form a clearly separated second performance tier. Line-resolved analysis shows that localization accuracy varies across grid segments, indicating topology-dependent difficulty rather than insufficient temporal context alone. These findings provide a controlled reference for comparing machine learning models across two protection tasks with fundamentally different information requirements.

25.
medRxiv (Medicine) 2026-06-23

Comparative Evaluation of Machine Learning and Deep Learning Models for Early Prediction of Severe Acute Pancreatitis: A Multi-Model Study Using the 2012 Revised Atlanta Classification

Authors:

**Background:** Acute pancreatitis (AP) is a common gastrointestinal emergency with a subset of patients progressing to severe acute pancreatitis (SAP), which carries substantial morbidity and mortality. Current clinical severity scores such as BISAP, APACHE II, Ranson, and the Modified CT Severity Index require upon 48 hours of observation before reliable assessment is possible, limiting early triage. Machine learning (ML) approaches using routine admission laboratory values may enable earlier, more accurate prediction. **Methods:** We evaluated 11 models spanning three architectural families classical ML (Logistic Regression, Random Forest, Gradient Boosting), feedforward deep learning (MLP, Residual MLP, Attention MLP), and recurrent deep learning (LSTM, Stacked LSTM, Bidirectional LSTM, LSTM+Attention, CNN-LSTM) on a Chinese AP cohort of 722 patients (585 severe, 137 mild) labelled according to the 2012 Revised Atlanta Classification. Performance was assessed via 5-fold stratified cross-validation using AUC-ROC, F1 score, sensitivity, specificity, and PPV, with decision thresholds optimised for maximal F1. **Results:** Random Forest achieved the highest AUC of 0.877 (F1=0.917, sensitivity=96.8%, PPV=87.1%), followed closely by Gradient Boosting (AUC=0.874, F1=0.918). Classical ML models consistently outperformed deep learning counterparts. CNN-LSTM was the best recurrent model (AUC=0.777) but remained inferior to all classical approaches. LSTM-family models produced AUC values of 0.684-0.777, reflecting the cross-sectional tabular nature of the data. **Conclusions:** Random Forest provides robust, high-sensitivity early prediction of SAP severity using routine admission data. External prospective validation is required before clinical deployment. **Keywords:** acute pancreatitis; severity prediction; machine learning; random forest; deep learning; LSTM; Revised Atlanta Classification; early triage