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01.
arXiv (CS.AI) 2026-06-18

Vibe Coding Ate My Homework: An evaluation of AI approaches to greenfield software engineering and programming

arXiv:2606.18293v1 Announce Type: cross Abstract: Thanks to rapid developments in generative AI, we are in the midst of a paradigm shift that may change how we interact with computers forever. We have observed a growth in the use of natural language prompts to build applications and coding infrastructures without underlying knowledge of the field, and this practice has been dubbed `vibe coding.' It arguably represents what the field of programming has been building towards since the beginning, with every higher level of abstraction that is conceived. Vibe coding promises to be the endpoint for the meta of high-level programming as far as method of input is concerned: eliminating a human's use of code syntax entirely in favour of programming in their mother tongue. This paper aims to evaluate the viability of vibe coding for greenfield software engineering tasks, as well as analyse the benchmarks that have been used to measure its software engineering prowess. To this end, we have developed an evaluation suite for analysing an LLM's proficiency in carrying out simple, isolated greenfield programming tasks in Python to provide scoped insight on the matter.

02.
bioRxiv (Bioinfo) 2026-06-15

Biological meaning in protein embedding space is resolution-dependent

Protein language model embeddings are increasingly used to organise biological sequences, yet how biological meaning is encoded within embedding neighbourhoods remains poorly understood. Using two independent hierarchical enzyme systems, carbohydrate-active enzymes and peptidases, we investigated how biological interpretation changes across embedding organisations aligned to different levels of biological hierarchy. Different embedding organisations give rise to distinct neighbourhood semantics. When aligned to membership-boundary resolution, embeddings robustly separated artefacts and unrelated proteins from members of the target category. However, embeddings aligned to functional-grouping resolution maintained compositional neighbourhood structure for multi-domain proteins spanning more than one functional or catalytic group. Finally, embeddings aligned to local-family resolution recovered compact family-like neighbourhoods, including families withheld from training, while weakening broader membership-boundary and functional-grouping relationships. Moreover, embeddings optimised toward the same level of biological organisation retain different biological relationships depending on optimisation trajectory employed. Together, our results show that proximity in protein embedding space has no fixed biological interpretation. Instead, biological meaning emerges across embedding resolutions through selective preservation of different forms of biological organisation.

03.
arXiv (quant-ph) 2026-06-25

Tensor network characterization and mitigation of readout errors

arXiv:2606.25974v1 Announce Type: new Abstract: Readout errors are a major bottleneck to extracting reliable information from near-term quantum processors, especially when spatial correlations are non-negligible. We present a unified tensor-network framework that models the readout process as a matrix product operator (MPO), enabling efficient characterization and mitigation beyond uncorrelated approximations. The MPO model is trained via likelihood optimization on calibration data and applies to multiple tasks, including nonlocal observable estimation, random circuit sampling, and random-measurement protocols, such as classical shadows and learning-based tomography. Experiments on a superconducting processor and numerical simulations up to 20 qubits show that the MPO model captures correlated readout errors that uncorrelated models miss, with a sample cost that grows only near-linearly with system size. When extended to two-dimensional systems, the framework can also be integrated with tensor-network quantum error-correction decoders by performing joint inference over data and readout errors. These results establish tensor-network readout error mitigation as a scalable and versatile approach for noise-aware quantum data processing.

04.
arXiv (CS.CV) 2026-06-17

EventDrive: Event Cameras for Vision-Language Driving Intelligence

Event cameras sense the world through asynchronous brightness changes with microsecond latency and high dynamic range, offering motion fidelity far beyond frame-based sensors and capturing temporal structure that conventional exposures often miss. These properties make events a powerful complement to RGB in autonomous driving, especially under blur, glare, and rapid motion, where frame-based perception can become unreliable. However, existing event-aware vision-language models remain limited to generic perception and do not reveal how event sensing contributes to reasoning and decision-making across the full driving loop. We present EventDrive, a large-scale benchmark and model suite that unifies event streams, RGB frames, and language supervision across four core dimensions: Perception, Understanding, Prediction, and Planning, covering captions, structured QA, grounding, motion-state recognition, trajectory forecasting, and planning tasks. Building on this foundation, EventDrive-VLM introduces a multi-horizon event pyramid and a temporal-horizon mixture-of-experts module to adaptively encode and fuse asynchronous and frame-based information for downstream reasoning. Comprehensive evaluation across diverse tasks shows that event streams provide substantial gains in temporal precision, motion awareness, and robustness, bringing event sensing into the center of driving intelligence.

05.
arXiv (CS.CV) 2026-06-25

CustomX: Unified Character, Action, and Scene Customization in Video World Models

Recent advances in world models have greatly enhanced interactive environment simulation. Existing methods mainly fall into two categories: (1) static world generation models, which construct 3D environments without active agents, and (2) controllable-entity models, which allow a single entity to perform limited actions in an otherwise uncontrollable environment. In this work, we introduce CustomX, leveraging the realism and structural grounding of static world generation while extending controllable-entity models to support user-specified characters capable of performing open-ended actions. Users can provide a 3DGS scene and a character, then use natural language to direct the character to perform diverse behaviors, ranging from basic locomotion to object-centric interactions, while freely exploring the environment. CustomX synthesizes temporally coherent video clips that preserve visual fidelity with the provided scene and character, formulated as a conditional autoregressive video generation problem. Built upon a pre-trained video generator, our training strategy significantly enhances motion dynamics while maintaining generalization across actions and characters. Our evaluation covers a broad range of aspects, including visual quality, character consistency, action controllability, and long-horizon coherence.

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

Enhanced Graph Neural Networks using K-Hop Gaussian Diffusion

arXiv:2606.18317v1 Announce Type: new Abstract: Most graph neural network (GNN) cores rely on graph convolutions, typically implemented as message passing between direct (single-hop) neighbors. In many real-world graphs, edges can be noisy or poorly defined, limiting information propagation to local neighborhoods. Existing diffusion kernels, such as Personalized PageRank (PPR) and Heat Kernel, alleviate this issue through global propagation, but still struggle with complex local structures and distant node noise. To address these limitations, we propose a K-Hop Gaussian (KHG) diffusion kernel as a preprocessing module for graph data. KHG introduces multi-hop diffusion with Gaussian weighting for remote nodes, balancing local and global information propagation before applying standard GNNs. Experiments on multiple benchmark datasets demonstrate that KHG significantly outperforms traditional message-passing GNNs, as well as PPR and Heat Kernel diffusion, particularly in noisy or structurally complex graphs.

07.
arXiv (CS.AI) 2026-06-15

FAConformer: Frequency-Aware Convolutional Transformer for Auditory Attention Decoding

arXiv:2606.14120v1 Announce Type: cross Abstract: Auditory attention decoding (AAD) aims to infer the attended speaker from neural responses in multi-speaker acoustic environments and is a key problem for neuro-steered hearing systems. Although recent studies have achieved encouraging progress, existing AAD models still do not fully exploit frequency domain electroencephalography (EEG) information. In particular, most approaches introduce multi-band information through handcrafted feature extraction or direct cross-band feature concatenation, which mainly exploit frequency information at a shallow level and may overlook band-specific patterns and cross-band interactions. To address these limitations, this paper proposes FAConformer, a frequency-aware CNN-Transformer framework for AAD that explicitly integrates band-specific encoding and adaptive cross-band interaction. Specifically, FAConformer first decomposes EEG signals into multiple frequency bands and assigns each band to an independent CNN-Transformer encoder for band-specific modeling. The resulting band-wise features are then adaptively fused by a carefully designed frequency-aware attention (FAA) module that models cross-band dependencies by treating band-wise features as tokens. Further, band-wise auxiliary supervision (BAS) is introduced to prevent weakly contributing branches from being under-optimized during joint training. In this way, FAConformer performs frequency-aware modeling that more effectively exploits frequency domain information. Extensive experiments on two public AAD datasets with three decision-window lengths demonstrated that FAConformer consistently outperformed 12 competitive baselines, surpassing the current state-of-the-art model by 4.9%. Further analyses of band importance, ablation, and parameter sensitivity verify the effectiveness, robustness, and interpretability of the proposed framework. Code is available at https://github.com/wzwvv/FAConformer.

08.
arXiv (quant-ph) 2026-06-24

Mode-selective nonlinear interference for high-brightness and high-purity fiber-coupled SPDC sources

arXiv:2606.23836v1 Announce Type: new Abstract: Single-mode-fiber-coupled spontaneous parametric down-conversion (SPDC) sources are a key resource for photonic quantum technologies, but in single-crystal geometries brightness, heralding efficiency, and spectral purity remain constrained by intrinsic trade-offs. Here, we show how nonlinear interference in a cascaded two-crystal type-II SPDC source can be used to engineer the modal structure of SPDC emission, improving the brightness–heralding-efficiency trade-off by more than one order of magnitude beyond the single-crystal limit. We further demonstrate two routes to near-unity spectral purity while retaining high brightness and/or heralding efficiency, even with standard periodically poled crystals, and study the additional advantages of aperiodic poling with Gaussian phase matching. Using a spectrally resolved Laguerre–Gauss modal decomposition, we show that these improvements arise from mode-selective interference of spatial-spectral SPDC modes within the nonlinear interferometer. We experimentally validate the model through sum-frequency-generation measurements of the spatial-spectral state.

09.
medRxiv (Medicine) 2026-06-23

THE SILENT STRUGGLE: EXPLORING THE EFFECTS OF COMMUNICATION BREAKDOWNS IN HEALTHCARE DELIVERY IN THE NORTHERN REGION OF GHANA

Abstract Effective health communication is central to patient-centred care and improved health outcomes, particularly in culturally diverse healthcare settings. In clinical and assistive practice, communication breakdowns may negatively affect diagnosis, treatment adherence, and preventive care. A qualitative phenomenological design was employed, utilizing Semi-Structured interviews with purposively sampled twenty patients and healthcare professionals from Tamale Teaching Hospital, Yendi Hospital, and Bimbilla Hospital. The researchers adopted Content Analysis as the tool of analysis for the data. The findings of this study revealed that language discrepancies Poor attitudes of healthcare providers hinderer patient openness and the quality treatment. Logistical issues, such as inadequate medicines and medical supplies, resulted in delayed treatment and additional financial burden on patients and their relatives. Cultural and social factors discourage patients from discussing certain health conditions with healthcare providers, leading to delayed treatment. These hurdles adversely impact on treatment and assistive practice, specifically in culturally diverse environment and preventive care. The study recommends training and capacity-building programs for healthcare providers in cultural competence, fostering effective and ethical health communication between patients and healthcare providers, and recruiting professional interpreters to bridge the linguistics gap between patients and providers. Abstract Effective health communication is central to patient-centered care and improved health outcomes, particularly in culturally diverse healthcare settings. In clinical and assistive practice, communication breakdowns may negatively affect diagnosis, treatment adherence, and preventive care. A qualitative phenomenological design was employed, utilizing semi-structured interviews with twenty purposively sampled patients and healthcare professionals from Tamale Teaching Hospital, Yendi Hospital, and Bimbilla Hospital. The researchers adopted content analysis as the tool of analysis for the data. The findings of this study revealed that language discrepancies Poor attitudes of healthcare providers hinder patient openness and quality treatment. Logistical issues, such as inadequate medicines and medical supplies, resulted in delayed treatment and additional financial burden on patients and their relatives. Cultural and social factors discourage patients from discussing certain health conditions with healthcare providers, leading to delayed treatment. These hurdles adversely impact treatment and assistive practice, specifically in culturally diverse environments and preventive care. The study recommends training and capacity-building programs for healthcare providers in cultural competence, fostering effective and ethical health communication between patients and healthcare providers, and recruiting professional interpreters to bridge the linguistics gap between patients and providers.

10.
arXiv (CS.AI) 2026-06-16

Few-shot Class-variable Incremental Audio Classification via Prototype Adaptation and Pseudo Class-variable Training

arXiv:2606.08898v2 Announce Type: replace-cross Abstract: In the task of few-shot class-incremental audio classification, the number of classes is assumed to always increase without considering the possibility of decrease. However, the number of classes generally increases or decreases in practice. In this paper, we investigate a problem of Few-shot Class-variable Incremental Audio Classification (FCIAC), in which the number of classes increases or decreases. We propose a FCIAC method using prototype adaptation and pseudo class-variable training. The model in our method consists of an encoder and a classifier. The classifier is initialized by a class-variable prototype adaptation network, whose structure dynamically changes with the change of classes. In addition, we design a pseudo class-variable training strategy to enhance the model's adaptability to changing classes. Experiments on three public datasets show that our method exceeds previous methods in average accuracy. The code is at: https://github.com/cgq2971-afk/FCIAC.

11.
arXiv (CS.LG) 2026-06-25

Hierarchical Graph Learning for Calendar Spread Strategies in Commodity Futures Markets

arXiv:2606.25811v1 Announce Type: cross Abstract: Commodity futures can be represented hierarchically, with underlying assets at the upper level and individual futures contracts at the lower level. Entities at each level can be connected by edges reflecting inherent correlations, with cross-level edges capturing contract-to-underlying asset connections. Building on our observations of these structures, we propose a hierarchical graph learning approach for calendar spread (CS) strategies in commodity futures markets, addressing two significant gaps in the machine-learning literature: (i) the absence of learning-based methods for CS strategies in futures markets, and (ii) the lack of consideration of maturity-dependent interrelationships across commodity futures. We first establish the efficacy of CS strategies by analytically showing that CS strategies can possess higher risk-adjusted returns, measured by the information ratio, and lower risk, measured by variance and delta, than long-only strategies. We then introduce a method to convert learning-based predictions into CS positions. Next, we develop a hierarchical graph learning method that predicts futures price movements by utilizing the maturity-dependent interrelationships, thereby yielding a CS trading algorithm. Empirical results on commodity futures markets traded on the Chicago Mercantile Exchange Group demonstrate that our method outperforms benchmark models in both prediction and trading performance. We find that maturity-dependent interrelationships across commodity futures are instrumental in prediction and that CS trading based on hierarchical graph learning is effective for statistical arbitrage.

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

Lung-R1: A Knowledge Graph-Guided LLM for Pulmonary Diagnostic Reasoning

arXiv:2606.11675v1 Announce Type: new Abstract: Diagnosing pulmonary diseases requires integrating heterogeneous evidence amid phenotypic variability and cross-disease overlap. Although large language models (LLMs) have shown progress on pulmonary knowledge question answering (QA) and information-processing tasks, reliable pulmonary diagnosis requires patient-specific, relation-aware reasoning over electronic medical record (EMR) evidence rather than isolated knowledge recall. We define this gap between pulmonary knowledge and case-level diagnostic reasoning as the Pulmonary Knowledge-to-Diagnosis Gap. To address it, we introduce LungKG, the first structured pulmonary knowledge graph for diagnostic knowledge organization and record-grounded reasoning. LungKG contains 59,038 nodes and 164,308 edges across 15 entity types and 112 relation types, serving as both a reusable pulmonary knowledge resource and the foundation for LungKG-guided model adaptation. Built on LungKG, we propose Lung-R1, a LungKG-guided pulmonary LLM trained through KG-constrained reasoning-chain construction and KG-guided reinforcement learning. In a 20-system evaluation, Lung-R1-14B achieves state-of-the-art performance across Choice, Pulmonary-QA, and EMR Diagnosis, reaching an EMR Diagnosis score of 4.3583 and surpassing the strongest non-Lung-R1 baseline by 0.1476 points. These results demonstrate the value of LungKG-guided training for EMR-based pulmonary diagnosis.

13.
arXiv (CS.CL) 2026-06-16

WavSLM: Single-Stream Speech Language Modeling via WavLM Distillation

Large language models show that simple autoregressive training can yield scalable and coherent generation, but extending this paradigm to speech remains challenging due to the entanglement of semantic and acoustic information. Most existing speech language models rely on text supervision, hierarchical token streams, or complex hybrid architectures, departing from the single-stream generative pretraining paradigm that has proven effective in text. In this work, we introduce WavSLM, a speech language model trained by quantizing and distilling self-supervised WavLM representations into a single codebook and optimizing an autoregressive next-chunk prediction objective. WavSLM jointly models semantic and acoustic information within a single token stream without text supervision or text pretraining. Despite its simplicity, it achieves competitive performance on consistency benchmarks and speech generation while using fewer parameters, less training data, and supporting streaming inference.

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

When to use what Schatten-$p$ norm in deep learning?

arXiv:2606.15268v1 Announce Type: new Abstract: Schatten-$\infty$ based optimizers such as Muon have shown promising empirical performance, but there remains seemingly conflicting observations regarding whether they are beneficial. We resolve this conflict by showing that the conclusion is regime dependent. Even when the objective is smooth in the Schatten-$\infty$ geometry, smaller Schatten-$p$ geometries can be optimal, specifically in the low-dimensional regime, which we show includes Chinchilla scaling. This conclusion follows from a new noise-robust acceleration result for the SODA framework for $p>2$. The same analysis explains why Muon-like methods do not require warmup, why they naturally favor large batches, and yields a batch size scaling rule for arbitrary $p$.

15.
arXiv (CS.CL) 2026-06-16

LLM-Assisted Stance Detection in Scientific Discourse: A Test Case in Bayesian Cognitive Science

Qualitative coding is central to social science, but expert annotation is difficult to scale. LLMs offer a possible extension, yet require careful validation when the target construct is interpretive, theoretically loaded, and only indirectly expressed. We study this problem in a difficult case: detecting whether authors treat Bayesian models as descriptions of mental and neural mechanisms (realism) or as useful mathematical tools (instrumentalism). Our method combines a theory-driven codebook, expert-coded reference annotations, a diagnostic-gated prompt-optimization search yielding a shared zero-shot prompt for three frontier LLMs (GPT-5.1, Claude Sonnet 4.6, Gemini 3 Pro Preview), and multi-rater reliability analysis. The final prompt achieved a held-out combined reliability score of 0.76 (harmonic mean of ICC = 0.79 and $\alpha$ = 0.74), with all diagnostics satisfied. Deployed on 6,858 quotes from 210 articles, the three LLMs reached substantial quote-level agreement (ICC = 0.80; $\alpha$ = 0.76; combined = 0.78) and near-perfect article-level rank stability ($r$ = 0.96-0.97 across rater pairs). The corpus was predominantly weakly realist, but article-level stances were rarely uniform: only 1.4% of articles used a single band, while 59.5% spanned four or more. Low-level perception/motor articles scored 8.8 Realism points higher than high-level cognition articles ($p < .001$, $d = 0.60$), quantifying a long-held qualitative intuition. We present this as an expert-led case study; the framework is intended to generalize to similar theoretically demanding tasks, not to all qualitative analysis.

16.
arXiv (CS.CV) 2026-06-24

Differential Unfolding: Efficient Unfolding Reconstruction for Video Snapshot Compressive Imaging

While Deep Unfolding Networks (DUNs) dominate video Snapshot Compressive Imaging (SCI), they remain constrained by a uniform design philosophy. Existing methods repeatedly stack high-complexity priors with identical structures, ignoring the fact that optimization trajectories converge toward static states. This results in representation stagnation, where high-cost computations are wasted on minimal feature updates. To address this inefficiency, we present Differential Unfolding (DU), a heterogeneous framework that replaces uniform repetition with dynamic evolution. Central to DU is the Differential Evolutionary Framework (DEF), which partitions the unfolding process into two complementary roles: structural anchoring and differential evolution. In this scheme, high-parameter general stages are sparsely deployed to generate high-fidelity feature foundations. Complementing these, lightweight differential stages employ a Differential Representation Prior (DRP) to propagate and refine these foundational features through a differential mechanism. By integrating Differential Representation Attention (DRA) for evolving attention maps and a Differential Modulated FFN (DM-FFN) for feature rectification, DRP effectively models cross-stage variations with minimal overhead. By focusing computational resources on dynamic evolution rather than static redundancy, DU achieves a superior trade-off between accuracy and efficiency. Extensive experiments verify that our method establishes new state-of-the-art results while significantly slashing computational overhead. https://github.com/Muyuan-Zhang/DU

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

PolyAlign: Conditional Human-Distribution Alignment

Post-training methods such as supervised fine-tuning (SFT) and preference optimization typically align language models toward a single global assistant behavior. While effective for improving average helpfulness, this can suppress the natural variation of human responses across languages, tasks, and dialogue settings. We study this problem as conditional human-distribution alignment: models should match the human response distribution appropriate to the current interaction context, rather than a universal response style. We introduce PolyAlign, a distribution-aware alignment framework that organizes bilingual interaction data into bucket-specific human reference distributions defined by language, interaction track, response family, and length. PolyAlign combines Bucket-Aware SFT, which balances optimization across heterogeneous buckets, with Human-Distribution Preference Optimization (HDPO), which regularizes preference learning using critic-estimated distance to bucket-specific human support. Across a bilingual evaluation suite covering English and Chinese single- and multi-turn settings, PolyAlign improves conditional naturalness and distributional faithfulness while preserving competitive task utility. The results suggest that post-training should move beyond global alignment objectives toward interaction-aware alignment with human response distributions.

19.
medRxiv (Medicine) 2026-06-10

Resolving Diagnostic Discordance in Group 2 Pulmonary Hypertension Through Staged Physiologic Testing: Insights From PVDOMICS

Background World Symposium on Pulmonary Hypertension (WSPH) Group 2 pulmonary hypertension (PH) is a clinically integrated phenotype attributed to left heart disease, whereas pre- versus post-capillary classification is operationalized primarily by pulmonary capillary wedge pressure (PCWP). Although current recommendations emphasize contextual interpretation and provocative testing for intermediate PCWP values, the relationship between PCWP-based classification and underlying phenotype has not been systematically evaluated. We aim to quantify phenotype-hemodynamic discordance across the PCWP spectrum and evaluate a staged physiology-guided framework incorporating inhaled nitric oxide (iNO), ventricular geometry, and provocative testing. Methods We studied 1,032 participants from the NHLBI-sponsored PVDOMICS cohort with multidisciplinary adjudicated phenotypes integrating clinical, imaging, physiologic, and hemodynamic data. Stage-specific PCWP thresholds classified pre- versus post-capillary physiology at rest, during iNO, and during provocation (fluid challenge or invasive cardiopulmonary exercise testing [iCPET]). Echocardiographic right ventricular-to-left ventricular (RV/LV) ratio was evaluated as a marker of ventricular interdependence. Restricted cubic spline and staged concordance analyses defined certainty-based PCWP ranges and incremental diagnostic yield. Results Adjudicated Group 2 phenotype was present in 37.0% of participants. Resting PCWP demonstrated good discrimination (AUC 0.86), but substantial bidirectional phenotype-hemodynamic discordance persisted across intermediate PCWP ranges. At a resting PCWP of 12 mmHg, 25% of participants classified as pre-capillary had adjudicated Group 2 PH, whereas at 18 mmHg, 35% classified as post-capillary remained discordant non-Group 2. Concordance did not approach 90% until PCWP values were 24 mmHg. Dynamic testing incrementally improved concordance within these overlap zones. Nearly half of adjudicated Group 2 PH participants (46.5%) were not identified by resting PCWP alone; incorporation of iNO and provocative testing increased cumulative Group 2 identification by 63.4% and improved sensitivity from 79.9% to 83.7%. Model discrimination improved from an AUC of 0.863 to 0.908 (likelihood-ratio P

20.
arXiv (CS.CL) 2026-06-24

MERGE: Minimal Expression-Replacement GEneralization Test for Natural Language Inference

As many benchmarks have become saturated, it has become increasingly important to create new datasets that evaluate the generalization capacity of current state-of-the-art models in reasoning. However, designing high-quality reasoning datasets is challenging, as their manual construction is costly, and their automatic generation is unreliable, often leading to synthetic data with limited scope. In this paper, we propose the Minimal Expression-Replacement GEneralization (MERGE) test that evaluates the robustness of reasoning models against non-adversarial variants of existing evaluation datasets. We automatically obtain high-quality variants from the original instances with Minimal Expression REplacement (MERE) generation, which uses Masked Language Models (MLMs) and safeguarding filters. We apply the MERGE test to Natural Language Inference (NLI), a popular task of reasoning. We generate new NLI datasets from two widely used existing ones with the MERE generation and use them to evaluate multiple strong NLI models. The results indicate that both LLMs and fine-tuned NLI models generalize poorly: they struggle to consistently and correctly classify variants minimally different in form and reasoning from the original ones. Further, we also analyze how certain aspects in variant generation, such as the word class and the source MLMs, affect model performance.

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

A green solvent screening tool for emerging materials via uncertainty aware, transformer enhanced transfer learning

arXiv:2606.13060v1 Announce Type: new Abstract: Accurate prediction of solubility remains a central challenge across materials science and sustainable chemistry. In particular due to emerging technologies like organic and hybrid photovoltaics, batteries, and catalysis, solvent usage is expected to increase significantly within the coming years. Therefore, substituting solvents with greener alternatives is vital. This is where machine learning can have substantial impact. However, the limited data on critical parameters of solubility significantly constraints machine learning efficacy. In this work, we transfer a pre-trained foundational model on QM9 targets to our application with minimal data requirements. Additionally, the pipeline integrates uncertainty quantification, allowing the user to gauge the confidence of the predictions. As baseline, we succeed in predicting the Hansen solubility parameters and Dielectric Constant for which extensive databases exist. Importantly, we achieve high model performance on additional targets, such as Gutmann Donor and Acceptor numbers, where the available data is extremely limited. Overall, we augment data on solubility descriptors by orders of magnitude with high quality predictions. For effective dissemination, we deploy easy-to-use, easily integrateable with high throughput labs, customizable tool for ranking and screening possible solvent substitutes. Finally, we rediscovered known green solvent alternatives and proposed new candidates proving its relevance for finding eco-friendly solvents.

22.
arXiv (CS.AI) 2026-06-25

Improving Zero-Shot Offline RL via Behavioral Task Sampling

arXiv:2604.25496v2 Announce Type: replace Abstract: Offline zero-shot reinforcement learning (RL) aims to learn agents that optimize unseen reward functions without additional environment interaction. The standard approach to this problem trains task-conditioned policies by sampling task vectors that define linear reward functions over learned state representations. In most existing algorithms, these task vectors are randomly sampled, implicitly assuming this adequately captures the structure of the task space. We argue that doing so leads to suboptimal zero-shot generalization. To address this limitation, we propose extracting task vectors directly from the offline dataset and using them to define the task distribution used for policy training. We introduce a simple and general reward function extraction procedure that integrates into existing offline zero-shot RL algorithms. Across multiple benchmark environments and baselines, our approach improves zero-shot performance by an average of 20%, highlighting the importance of principled task sampling in offline zero-shot RL.

23.
medRxiv (Medicine) 2026-06-10

Optimisation of steatotic liver disease screening algorithm for resource-poor settings using machine learning

Background The European Association for the Study of the Liver (ESAL) - Steatotic Liver Disease (SLD) screening algorithm involves two steps; initial screening with FIB-4 followed by referral for vibration-controlled transient elastography (VCTE) in patients likely to have significant fibrosis (SF). However, VCTE is not widely available in resource-limited settings. Aim To optimise the EASL SLD screening algorithm for resource-poor settings using machine learning (ML). Methods We analysed data from 964 adults aged [&ge;]35 years who underwent VCTE at a tertiary referral centre in Sri Lanka between November 2024 and 2025. Multiple ML models using different methods and variable combinations were trained on 80% of the dataset and tested on the remaining 20%. Best models were selected based on performance and externally validated using data from 430 patients who underwent VCTE before November 2024. Model performance was compared with the FIB-4 using confusion matrices. Results A Random Forest model incorporating age, AST, ALT, and platelet count separately, rather than using FIB-4, outperformed. The all-variable ML model showed the best predictive performance for SF, with accuracy of 77.2%, recall of 0.762, precision of 0.778, and AUC-ROC of 0.818. The variables used in the model, in descending order of feature importance, were AST, platelet count, BMI, ALT, age, diabetes mellitus, hypertension, dyslipidaemia, sex, family history, hypothyroidism, diabetes complication and smoking. External validation demonstrated 75.1% accuracy and an AUC of 0.779. When used as the first step of the SLD screening algorithm, the all-variable ML model identified 37 (17.1%) additional true positives and reduced false-negative diagnoses by 50% compared with FIB-4. Conclusions ML-based models were more effective than the FIB-4 score as the first-line screening tool for VCTE referral, substantially improving the identification of patients with significant fibrosis in this South Asian cohort.

24.
arXiv (quant-ph) 2026-06-17

Unveiling Hierarchical Invariants in Multiphoton Linear Optics

arXiv:2506.12857v2 Announce Type: replace Abstract: Linear optical networks driven by quantum states of light are important building blocks of photonic quantum technologies. They access large bosonic Hilbert spaces through multiphoton interference. At the same time, their dynamics are generated by single-particle mode transformations, thereby defining a highly structured subset of multiphoton unitaries and setting boundary on linear optics capability. To elucidate this boundary, we reveal an underlying fine-grained symmetry structure that partitions the multiphoton operator space into invariant subspaces and generates a hierarchy of invariants. We experimentally confirm the conservation of high-order invariants and demonstrate their operational utility in characterizing state reachability and the metrological capability of multiphoton probes. Our framework provides a symmetry-based perspective for understanding and harnessing structured multiphoton dynamics across photonic quantum technologies.

25.
arXiv (CS.AI) 2026-06-15

MeEvo: Metacognitive Evolution Combined with Natural Evolution for Automatic Heuristic Design

arXiv:2606.14202v1 Announce Type: cross Abstract: Large Language Models (LLMs) have advanced Automatic Heuristic Design (AHD) by enabling heuristic generation through reasoning and code synthesis. Existing LLM-based AHD architectures mainly follow two paradigms: Natural Evolution, which uses crossover and mutation to explore heuristic programs, and Metacognitive Evolution, which refines reasoning through reflection. However, Natural Evolution discards reasoning traces, weakening knowledge inheritance and exploitation, while Metacognitive Evolution lacks population-level recombination, limiting exploration and increasing the risk of premature convergence. These limitations reduce search efficiency, stability, and solution quality on complex problems. To address this gap, we propose MeEvo, a dual-layer AHD framework that cyclically couples Natural Evolution and Metacognitive Evolution. Natural Evolution explores heuristic code while recording reasoning traces, fitness values, and errors into a shared history; Metacognitive Evolution then reflects on this history to generate improved heuristics that re-enter the parent pool for the next cycle. This design enables population-driven exploration and reflection-driven refinement to reinforce each other. Experiments on five optimization problems with two LLM backbones show that MeEvo achieves stronger and more stable performance than existing LLM-based AHD architectures, especially on complex constrained tasks.