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

A Temporal Planning Framework for Disruption Aware Dynamic Route Optimization in Heterogeneous Railway Systems

arXiv:2606.14582v1 Announce Type: new Abstract: Efficient route optimization play a vital role in ensuring both safety and punctuality in railway operations. It is very crucial particularly in heterogeneous multi-gauge railway networks with varying train speed, stopping pattern, infrastructure compatibility constraints increase coordination complexity. In single-track systems these challenges are further intensify due to all trains to share the same track and requires frequent track switching.Stochastic disruptions events including blocked tracks, blocked trains, engine failure and speed slowdowns introduces additional unpredictability in operations and deviate the timetable. However, existing studies predominantly focuses on high-level timetabling, omitting operational details such as track switching coordination. As a result leaving decision to human operators, increasing safety risks into railway operations. This study proposes a framework based on temporal planning for dynamic route optimization and disruption management in heterogeneous railway systems. The framework formulates railway operations as a temporal planning problem using PDDL 2.1 with explicitly modeling gauge compatibility constraints and diverse disruption scenarios. It generates conflict-free timestamped operational plans specifying both optimized schedules and executable action sequences. To evaluate the proposed framework, we developed a benchmark problem set with 200 instances using up to 1,000 track points and 120 trains. Two state-of-the-art temporal planners and a plan validator were employed to assessed the framework. The experimental results demonstrate that the framework effectively generates temporal operational plans for heterogeneous railway systems and handles multi-gauge constraints, disruptions, and reduces dependence on manual decision making.

02.
arXiv (CS.AI) 2026-06-11

Bridging the Morphology Gap: Adapting VLA Models to Dexterous Manipulation via Intent-Conditioned Fine-Tuning

arXiv:2606.12109v1 Announce Type: cross Abstract: Vision-Language-Action (VLA) models have demonstrated remarkable zero-shot generalization in robotic manipulation, yet the vast majority of pre-trained pipelines remain strictly confined to low-DoF parallel grippers. Adapting these rich semantic priors to high-DoF dexterous hands introduces a severe morphology gap, direct end-to-end joint fine-tuning inherently causes catastrophic forgetting of spatial reasoning and acute action manifold collapse due to data scarcity. In this paper, we present InDex, a novel, data-efficient adaptation framework rooted in cross-morphology semantic inheritance. Rather than discarding the pre-trained 1-DoF parallel grasp output, we repurpose it as a continuous, macroscopic virtual grasp intent proxy to sequentialize the control topology. We implement a two-stage decoupled learning architecture: the first stage parameter-efficiently aligns the VLA backbone to predict continuous arm trajectories and the scalar grasp intent; the second stage freezes this spatial backbone and leverages an intent-conditioned denoising diffusion head to decode fine-grained joint articulations for multi-fingered end-effectors. Extensive simulation benchmarks across a suite of multi-stage, contact-rich dexterous manipulation tasks demonstrate that InDex effectively masters intricate skills with minimal demonstration data, substantially outperforming monolithic baselines while preserving the robust spatial generalizability of the original VLA prior.

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

Quantum optimal control of steady orbits

arXiv:2606.15383v1 Announce Type: new Abstract: Periodically driven dissipative systems can settle into steady orbits - fixed loops on their dynamical manifolds. In quantum mechanics, steady orbits occur in cooling engines (used to initialise quantum devices), coherent oscillators (such as lasers and masers), precision metrology devices (atomic clocks, optical and spin magnetometers), and magnetic resonance (steady state free precession, dynamic nuclear polarisation). Steady orbits and stroboscopic steady states are a promising target for quantum optimal control, but the numerical complexity is prohibitive: the infinite loop defeats gradient ascent pulse engineering (GRAPE) which relies on explicit numerical propagation in the time domain. Here we propose an efficient quantum control strategy for stroboscopic steady states and limit cycles that are approached asymptotically when a control sequence is repeated infinitely many times. The formalism is different from Floquet-Lindblad state engineering and effective Hamiltonian theories: it finds control sequences that drive a dissipative quantum system towards a steady orbit passing through user-specified waypoints. The software implementation (same numerical complexity scaling as GRAPE) is done for the Spinach library.

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

Interpolation between Convolution and Attention via K-Nearest Neighbors

作者:

The shift from Convolutional Neural Networks to Transformers has reshaped computer vision, yet these two architectural families are typically viewed as fundamentally distinct. Convolutional Neural Networks are defined by spatially local convolution operations, while Transformers rely on global self-attention. We argue that convolution and self-attention, despite their apparent differences, can be unified within a single k-nearest neighbor aggregation framework. The critical insight is that both operations are special cases of neighbor selection and weighted aggregation. Convolution selects neighbors by spatial proximity while self-attention selects by feature similarity, revealing that they lie on a continuous spectrum rather than representing categorically different computations. We introduce Convolutional Nearest Neighbors (ConvNN), a unified framework that formalizes this connection. ConvNN exactly recovers standard and depthwise convolution by restricting neighbor selection to normalized spatial coordinates, and exactly recovers self-attention and its sparse variants, including KVT-attention, by replacing spatial proximity with scaled dot-product similarity. Beyond these special cases, ConvNN serves as a drop-in replacement for both convolution and attention layers, enabling systematic exploration of the intermediate spectrum between local and global aggregation through configurable similarity functions, neighbor selection strategies, positional encodings, and aggregation kernels.

05.
arXiv (math.PR) 2026-06-16

Purely unrectifiable sets, fractal percolation and graphs of functions

arXiv:2606.15745v1 Announce Type: cross Abstract: This paper contains a survey of some of the results of the author related to unrectifiablity and is an extended version of the author's talk given at the Second Winter School Geometric Measure Theory Rectifiability vs. Pure Unrectifiability in Hanghzou, China. These results include irregular/purely unrectifiable $1$-sets on the graphs of continuous functions like the Takagi, the Weierstrass-Cellerier and the typical (in the sense of Baire) continuous function. It is also discussed that there exists $ {\alpha}_{0}\alpha_0$. The background of the $1$-unrectifiability is discussed in more detail.

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

Human-Guided Agentic AI for Multimodal Clinical Prediction: Lessons from the AgentDS Healthcare Benchmark

arXiv:2602.19502v2 Announce Type: replace Abstract: Agentic AI systems are increasingly capable of autonomous data science workflows, yet clinical prediction tasks demand domain expertise that purely automated approaches struggle to provide. We investigate how human guidance of agentic AI can improve multimodal clinical prediction, presenting our approach to all three AgentDS Healthcare benchmark challenges: 30-day hospital readmission prediction (Macro-F1 = 0.8986), emergency department cost forecasting (MAE = $465.13), and discharge readiness assessment (Macro-F1 = 0.7939). Across these tasks, human analysts directed the agentic workflow at key decision points, multimodal feature engineering from clinical notes, scanned PDF billing receipts, and time-series vital signs; task-appropriate model selection; and clinically informed validation strategies. Our approach ranked 5th overall in the healthcare domain, with a 3rd-place finish on the discharge readiness task. Ablation studies reveal that human-guided decisions compounded to a cumulative gain of +0.065 F1 over automated baselines, with multimodal feature extraction contributing the largest single improvement (+0.041 F1). We distill three generalizable lessons: (1) domain-informed feature engineering at each pipeline stage yields compounding gains that outperform extensive automated search; (2) multimodal data integration requires task-specific human judgment that no single extraction strategy generalizes across clinical text, PDFs, and time-series; and (3) deliberate ensemble diversity with clinically motivated model configurations outperforms random hyperparameter search. These findings offer practical guidance for teams deploying agentic AI in healthcare settings where interpretability, reproducibility, and clinical validity are essential.

07.
arXiv (CS.AI) 2026-06-12

The AI Legal Specialist: A Juridically Autonomous Professional Profile for AI Governance

arXiv:2606.12415v1 Announce Type: cross Abstract: The rapid global expansion of artificial intelligence regulation has generated, across multiple jurisdictions, a demand for legal expertise dedicated to AI that the market has addressed in a fragmented manner. Data protection officers extend their remit beyond data protection law; privacy lawyers reposition themselves toward AI; compliance officers add AI chapters to their existing manuals. This paper argues that none of these adaptive responses adequately covers the professional space opened by the emerging global AI regulatory landscape, of which the EU Artificial Intelligence Act (Regulation (EU) 2024/1689) is the most comprehensive instance, alongside the Council of Europe Framework Convention on AI, the United States executive and sectoral framework, and analogous initiatives in the United Kingdom, Canada, Brazil, China, Japan, Singapore, and beyond. A distinct professional profile is required: the AI Legal Specialist, conceived as a jurist – understood broadly to encompass any professional with advanced legal training – operating at the intersection of legal interpretation and AI governance. The profile is juridically autonomous: it derives its existence from the structure of regulatory obligations generated wherever AI is subject to substantive regulation, rather than from any technical standard or the extension of adjacent roles. The paper provides a juridically grounded definition of the profile, argues for its autonomy from adjacent figures and international standards, proposes a reference competence architecture aligned with the European e-Competence Framework (e-CF, EN 16234-1) as a methodological choice, and articulates the conditions for its operational measurement through key performance indicators. The contribution is intended as a foundation for international standardization of the profile and as a reference for practice, curricula, and adoption across jurisdictions.

08.
arXiv (CS.LG) 2026-06-15

Cluster LOCO: Feature Importance For Interpreting Clusters

arXiv:2606.14592v1 Announce Type: cross Abstract: Clustering is widely used for exploratory analysis and scientific discovery, driving insights from market segmentation to biological data analysis, but its outputs can be difficult to interpret, audit, and reproduce as modern datasets become increasingly large and complex. Reliable use of clustering requires understanding which features drive the discovered structure, yet feature-level explanations for clustering remain scarce compared with methods in supervised learning. Furthermore, existing clustering feature importance scores are often tied to specific algorithms and data assumptions. To address these challenges, we propose Cluster LOCO (Leave-One-Covariate-Out), a family of model-agnostic feature importance scores for clustering. Cluster LOCO is built on feature occlusion and clustering generalizability, defined as whether cluster labels learned on one subset of the data can be accurately predicted on held-out samples. For any chosen clustering algorithm, Cluster LOCO quantifies a feature's importance by measuring how much its removal degrades generalizability. We first introduce Cluster LOCO-Split, which relies on data splitting, and then extend it to Cluster LOCO-MP, a minipatch ensemble-based version designed for large-scale data. Across synthetic simulations and an application to cell-type discovery in single-cell transcriptomics, we show that Cluster LOCO more reliably recovers informative features than existing clustering feature importance methods.

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

HumanScale: Egocentric Human Video Can Outperform Real-Robot Data for Embodied Pretraining

Embodied foundation models are expected to benefit from data scaling like large language models, but face a much tighter data bottleneck. Teleoperated real-robot trajectories remain the dominant pretraining source due to their precise action supervision and embodiment alignment, yet their scalability is limited by high collection cost, acquisition difficulty, and low behavioral and environmental diversity. These limitations have sparked interest in egocentric human video as a scalable, substantially lower-cost, and more diverse alternative for embodied model pretraining. However, its effectiveness compared to teleoperated real-robot data remains underexplored. To address this question, we conduct a systematic study comparing egocentric human video and teleoperated real-robot trajectories as pretraining data sources for embodied foundation models, under fixed post-training and validation protocols. Surprisingly, we find that egocentric data, when processed through a carefully designed filtering and labeling pipeline, is not merely a viable substitute for model pretraining but can lead to superior performance. With the same amount of pretraining data, models pretrained on egocentric data achieve a 24% lower validation loss on real-robot action prediction, as well as 52.5% and 90% higher success rates on in-distribution and out-of-distribution real-robot task execution, respectively. This finding verifies a scalable paradigm for embodied foundation models: pretrain on egocentric human video to learn diverse world representations, then adapt with a small amount of labeled real-robot data for action-space alignment. We hope this study encourages broader exploration of egocentric data and offers guidance for data quality assessment before costly robot data collection.

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

Heterogeneous LiDAR Early Fusion and Learned Re-Ranking Strategy for Robust Long-Term Place Recognition in Unstructured Environments

Robust localization in unstructured environments, such as agricultural fields, is a critical challenge for autonomous systems. LiDAR sensors provide detailed 3D information about the environment and are invariant to lighting conditions. For this reason, LiDAR-based place recognition methods have gained significant attention. In this paper, we propose MinkUNeXt-VINE++, a novel approach that combines early fusion of heterogeneous LiDAR data from two sensors (Livox Mid-360 and Velodyne VLP-16) and a learned re-ranking strategy in inference time. This fusion leverages the strengths of each sensor to provide a more comprehensive representation of the environment. Additionally, the re-ranking approach is particularly important in repetitive environments, such as vineyards, as finding true positives is a major challenge. We evaluated our approach using the TEMPO-VINE dataset, which provides heterogeneous LiDAR data in vineyard environments across different phenological stages. Our results demonstrate that MinkUNeXt-VINE++ significantly improves place recognition performance compared to single-sensor approaches and state-of-the-art methods. MinkUNeXt-VINE++ achieves a 20% improvement in the Recall@1 metric compared to single-sensor approaches, and +30% including re-ranking. The code of our method is publicly available for reproduction.

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

Block algebra for morphing circuits

作者:

arXiv:2606.12724v1 Announce Type: new Abstract: Morphing circuits are a new paradigm for quantum error correction that relaxes hardware requirements. We present four constructions for CNOT-based CSS morphing circuits with explicit qubit connectivity degrees. All four constructions are specified in block algebra notation, with entries in algebras generated by permutation matrices. The first three are obtained by rewriting existing surface- and color-code morphing circuits; the fourth is a new three-round construction modeled on the 6.6.6 color code. The surface-code construction recovers the morphing circuit of Ref. [ST25] for two-block group algebra codes. Numerical search then instantiates these permutation matrices using regular representations of finite groups. [ST25] M. H. Shaw and B. M. Terhal, Phys. Rev. Lett. 134(9), 090602 (2025).

13.
Nature (Science) 2026-06-10

Confirmation that bryozoan animals were present during the Cambrian explosion

作者: 未知作者

Bryozoans are marine invertebrates that live in colonies and have long been considered absent from the Cambrian explosion — a rapid evolutionary event that began around 538 million years ago. Newly discovered fossils from the Cambrian period reveal that the bryozoan phylum had already diversified by this time. Fossils of two forms of bryozoans show evidence of soft tissue still preserved inside their mineralized skeletons.

14.
medRxiv (Medicine) 2026-06-15

Epileptogenicity alters intrahippocampal ripple propagation

Objective: Tracing the propagation of high-frequency oscillations (HFOs) aids in localizing epileptogenic regions and improving surgical outcomes. We examined how hippocampal epileptogenicity influences the propagation properties of the HFOs it generates. Methods: We analyzed non-REM sleep stereo-EEG from 49 patients (68 hemispheres) with verified hippocampal contacts. Hippocampi were stratified by excitability: 28 seizure onset zone (SOZ), 22 more-irritative non-SOZ (>6 interictal epileptiform discharges [IED]/min), and 18 less-irritative non-SOZ (

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

Dynamic Link Prediction with Temporally Enhanced Signed Graph Neural Networks

arXiv:2605.26290v2 Announce Type: replace Abstract: Temporal signed networks (TSNs) model the time evolution of cooperative and adversarial relationships that arise in applications such as social media analysis, trust and reputation systems, and financial transaction networks. While graph neural networks (GNNs) perform well for static or unsigned link prediction, effective learning in temporal signed graphs remains challenging due to the interaction of signed relations, evolving structure, and balance-theoretic constraints. To address this gap, we propose a modular temporal enhancement framework for signed GNNs that integrates historical context into otherwise static architectures. The framework introduces a Historical Context Integration Module (HCIM) that combines learnable recency-aware temporal weighting, LSTM-based embedding trajectory modeling, and multi-head temporal attention to capture both short- and long-term signed interaction dynamics. Historical information is fused with current node representations using either global or node-adaptive weighting, allowing the architecture-agnostic framework to accommodate heterogeneous temporal behaviors. We instantiate the approach on the Self-Explainable Signed Graph Transformer (SE-SGformer), preserving interpretability while extending it with temporal awareness. Experiments on real-world and synthetic TSNs, including Bitcoin OTC, Bitcoin Alpha, Reddit, and small-world network models, demonstrate consistent and statistically significant improvements over the static baseline.

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

From Reasoning Traces to Reusable Modules: Understanding Compositional Generalization in Language Model Reasoning

arXiv:2606.18089v1 Announce Type: new Abstract: Post-training pipelines that combine supervised fine-tuning (SFT) with reinforcement learning (RL) have emerged as the key recipe for transforming large language models (LLMs) into robust reasoners. We argue that this combined success is driven by compositional generalization, which we formalize through a hierarchical latent selection model. In this framework, reasoning traces are generated by a cascade of discrete latent selection variables corresponding to reusable atomic modules, including both skills (local operations) and routing mechanisms (how intermediate information is selected, reused, and composed). Within this model, we theoretically show that SFT and RL play asymmetric, complementary roles: SFT supplies the raw module materials in compositional traces, and RL decomposes those traces to identify the latent atomic modules and enable compositional generalization. We design controlled experiments to validate this theory. Our results demonstrate that RL can extract atomic modules from compound traces supplied by SFT and recombine them to solve new configurations. Moreover, we find that training on compound traces yields stronger generalization than training on isolated atomic modules. Finally, we investigate the relationship between SFT and RL data and identify an effective protocol in which SFT ensures coverage of all atomic modules through compositional traces, while RL focuses on novel compositions outside the SFT support to drive exploration.

17.
medRxiv (Medicine) 2026-06-15

Primary care practitioners preconception health literacy and information-seeking: A cross-sectional survey.

Background Parental health before pregnancy influences maternal and child outcomes. Primary care professionals, including general practitioners [GPs], midwives, and naturopaths, can provide preconception care, yet many report limited knowledge and difficulty accessing relevant information. This study described Australian GPs, midwives, and naturopaths preconception health literacy, including knowledge and ability to access information. Methods Between July and September 2022, Australian GPs, midwives, and naturopaths completed a 32-item online cross-sectional survey. Participants were recruited through professional associations, and data were analysed using descriptive and inferential statistics Results Participants (N=373) included naturopaths (40.7%), GPs (32.4%), and midwives (26.8%). Reported barriers to clinician health literacy including lack of preconception care resources (25.5%), and limited clinician knowledge (23.6%). The proportion identifying limited clinician knowledge differed significantly between professions (GP: 31.4%; midwives: 23.0%; naturopaths: 17.8%; p=0.030). The highest level of accurate knowledge regarding preconception exposures was for pre-pregnancy obesity (82.7%), while low birth weight was the most accurately identified preconception outcomes (83.7%). Incorrect responses were most common for maternal multivitamin use as an exposure (28.3%) and childhood leukaemia as an outcome (26.3%). Differences between professions were strongest for infant outcomes, with moderate associations observed for shoulder dystocia (V=.2355), precipitous labour (V=.2173), macrosomia (V=.2060), labour dystocia (V=.2018) and cryptorchidism (V=.2018). Discussion Preconception health literacy varies across primary care professions. Clinicians require greater access to targeted resources and education tailored to their differing scopes of practice and experience. Improving clinician preconception health literacy may strengthen consistent evidence-based care and support better maternal, child, and long-term family health outcomes.

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

Rational Sparse Autoencoder

arXiv:2606.14990v1 Announce Type: cross Abstract: Sparse autoencoders (SAEs) are standard tools for mechanistic interpretability, but current SAE families are constrained by fixed encoder nonlinearities such as ReLU, JumpReLU, and TopK. This hard-codes a particular sparsity mechanism into the model and can distort the reconstruction-versus-sparsity trade-off. We introduce the Rational Sparse Autoencoder (RSAE), which replaces the fixed encoder activation with a trainable rational function. Rational activations are flexible enough to uniformly approximate the activation primitives used by existing SAE families on compact domains (for TopK, the thresholded gate obtained after a separating top-k threshold is supplied), while also providing a richer function class for adapting to the observed pre-activation geometry. We realise this idea through a two-stage pipeline: an initialisation procedure that copies the pre-trained baseline SAE weights, plugs in rational coefficients obtained by the relaxed Remez exchange on synthetic data, and calibrates the scale parameters along with the rational coefficients; followed by a fine-tuning step under the standard sparsity-regularised reconstruction objective. Empirically, on residual-stream activations of three open-weight language models and across all three baseline activation families, the RSAE strictly improves on it after the fine-tuning step, both on reconstruction-side metrics and on downstream-behaviour metrics, without sacrificing feature-level interpretability under sparse probing. These gains are consistent across host language models, across baseline activation families, and across the full range of baseline sparsity we tested, while the upgrade itself adds only a handful of scalar parameters per autoencoder and runs in minutes on a single consumer GPU.

19.
arXiv (CS.CV) 2026-06-12

Adaptable Segmentation Pipeline for Diverse Brain Tumors with Radiomic-Guided Subtyping and Lesion-Wise Model Ensemble

Robust and generalizable segmentation of brain tumors on multi-parametric magnetic resonance imaging (MRI) remains difficult because tumor types differ widely. The BraTS 2025 Lighthouse Challenge benchmarks segmentation methods on diverse high-quality datasets of adult and pediatric tumors: multi-consortium international pediatric brain tumor segmentation (PED), preoperative meningioma tumor segmentation (MEN), meningioma radiotherapy segmentation (MEN-RT), and segmentation of pre- and post-treatment brain metastases (MET). We present a flexible, modular, and adaptable pipeline that improves segmentation performance by selecting and combining state-of-the-art models and applying tumor- and lesion-specific processing before and after training. Radiomic features extracted from MRI help detect tumor subtype, ensuring a more balanced training. Custom lesion-level performance metrics determine the influence of each model in the ensemble and optimize post-processing that further refines the predictions, enabling the workflow to tailor every step to each case. On the BraTS testing sets, our pipeline achieved performance comparable to top-ranked algorithms across multiple challenges. These findings confirm that custom lesion-aware processing and model selection yield robust segmentations yet without locking the method to a specific network architecture. Our method has the potential for quantitative tumor measurement in clinical practice, supporting diagnosis and prognosis.

20.
arXiv (quant-ph) 2026-06-17

Optimality Condition for the Petz Map

arXiv:2410.23622v5 Announce Type: replace Abstract: In quantum error correction, the Petz map serves as a perfect recovery map when the Knill-Laflamme conditions are satisfied. Notably, while perfect recovery is generally infeasible for most quantum channels of finite dimension, the Petz map remains a versatile tool with near-optimal performance in recovering quantum states. This work introduces and proves, for the first time, the necessary and sufficient conditions for the optimality of the Petz map in terms of entanglement fidelity. In some special cases, the violation of this condition can be easily characterized by a simple commutator that can be efficiently computed. We provide multiple examples that substantiate our new findings.

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

SpecAlign: Efficient Specification-Grounded Alignment of Large Language Models via Synthetic Data

arXiv:2606.16276v1 Announce Type: new Abstract: As large language models (LLMs) are increasingly deployed in real-world applications, alignment is no longer governed by a single universal notion of safety or helpfulness, but instead by provider- or application-specific model specifications. These specifications are typically long, structured, and frequently updated, yet existing alignment pipelines lack a systematic mechanism to operationalize them as training signals. In this paper, we propose specification-grounded alignment, a new alignment paradigm that treats provider-authored model specifications as the primary alignment target rather than abstract principles or static benchmarks. To instantiate this paradigm, we introduce SpecAlign, a framework that synthesizes alignment data directly from specification documents. SpecAlign combines structured rule annotation, controllable specification instantiation, and multi-agent adversarial data synthesis to generate fine-grained, boundary-aware preference pairs that capture both compliant behaviors and meaningful specification violations. Experiments across multiple model specifications and backbone models demonstrate that training with SpecAlign consistently improves rule compliance while preserving general capabilities and avoiding over-conservative behavior. These results suggest that grounding alignment in explicit model specifications enables rapid, precise, and scalable adaptation of LLM behavior to evolving policy requirements.

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

MolSight: Molecular Property Prediction with Images

Every molecule ever synthesised can be drawn as a 2D skeletal diagram, yet in modern property prediction this universally available representation has received less focus in favour of molecular graphs, 3D conformers, or billion-parameter language models, each imposing its own computational and data-engineering overhead. We present $MolSight$, the first systematic large-scale study of vision-based Molecular Property Prediction (MPP). Using 10 vision architectures, 7 pre-training strategies, and $2\,M$ molecule images, we evaluate performance across 10 downstream tasks spanning physical-property regression, drug-discovery classification, and quantum-chemistry prediction. To account for the wide variation in structural complexity across pre-training molecules, we further propose a $chemistry-informed curriculum$: five structural complexity descriptors partition the corpus into five tiers of increasing chemical difficulty, consistently outperforming non-curriculum baselines. We show that a single rendered bond-line image, processed by a vision encoder, is sufficient for competitive molecular property prediction, i.e. $chemical insight from sight alone$. The best curriculum-trained configuration achieves the top result on $5 of 10$ benchmarks and top two on $all 10$, at $$80$\times$ lower$$ FLOPs than the nearest multi-modal competitor.

23.
arXiv (CS.AI) 2026-06-16

Fine-Tuning a 7B Advisor on Free-Tier GPUs: An Adapter-Handoff Recipe and a Synthetic-Data Reliability Caution

arXiv:2504.15610v4 Announce Type: replace Abstract: Fine-tuning a 7B language model for specialized advising is attractive in resource-constrained settings, but multi-epoch runs routinely exceed the wall-clock limits of the free-tier GPUs (Kaggle, Colab) such users rely on. We report two things. First, a practical recipe: a three-epoch QLoRA fine-tune of Mistral-7B-Instruct-v0.3 (4-bit NF4, LoRA rank 16, via Unsloth) completed across two free-tier 16 GB GPUs (Tesla P100 then T4) by checkpointing only the small LoRA adapter (41.9M parameters) and resuming on the second machine. Adapter-only handoff is sufficient – optimizer and scheduler state need not be transferred – so the binding constraint is per-step VRAM and per-session wall-clock, not aggregate compute. Second, and more importantly, an honest evaluation that returns a cautionary result. On a blind held-out comparison against the un-fine-tuned base model, the fine-tuned model scored higher on similarity to the synthetic training distribution (BERTScore F1 +0.063, a fidelity not quality signal) but lower on advising quality: a blind LLM-as-judge preferred the base model on 46% of prompts versus 18%, and a source-verified factuality audit found four confident errors from the fine-tuned model on policy-sensitive topics against zero for the base. Auditing the training data with the same method, we find this is not a fine-tuning artifact: each audited error is already present in the Gemini-generated training answers, and a random-sample audit finds verifiable errors in a sizable fraction of responses (28-40%; single-judge, n=40). The data is therefore sufficient to account for the errors, which we attribute to the synthetic-data pipeline rather than the adapter-handoff method. We release the dataset, adapter, cross-GPU notebooks, and full evaluation harness so every result reproduces on a single 16 GB GPU.

24.
medRxiv (Medicine) 2026-06-17

Trends in Suicide Mortality by Method among US Individuals aged 10-24 Years from 1999 to 2024

Background: Suicide is the second leading cause of death in US adolescents aged 10-24. Method use strongly influences lethality and design of prevention strategies, but recent trends remain unclear. We therefore aimed to investigate trends in suicide mortality rates by method, age group, and sex. Methods: This cross-sectional study used suicide mortality data from the National Center for Health Statistics for a quarter-century period, between 1999 and 2024. All individuals aged 10-24 years at the time of death, with suicide as the underlying cause, were included. We estimated suicide mortality rates (i.e., the number of suicide deaths per 100,000 people) and annual percent change by method (firearm, asphyxiation, poisoning, other), age group (10-14, 15-19, 20-24), and sex. Changing trend time points were determined using Joinpoint regression models Results: From 1999 to 2024, 159,241 suicide deaths occurred among individuals aged 10-24. While suicide rates declined across all age groups between 2017 and 2024, the male-to-female gap narrowed by 18.9%. Among 10-14-year-olds, declining rates among males masked a consistent increase in female suicide rates since 2011. Although asphyxiation-related suicides decreased across all groups since 2018, firearm suicide rates increased for females in the 10-14 and 20-24 age groups. Albeit not as common as firearms or asphyxiation, poisoning suicide rates increased in the 15-19 and 20-24 age groups. Since 1999, suicide rates by other less common methods (e.g., jumping) showed significant increases, for both sexes, especially among individuals aged 20-24. Suicide rates were consistently highest in the 20-24 age group across all study years. Conclusion: The decrease in suicide mortality rates among individuals aged 10-24 was largely driven by declines in males and reductions in asphyxiation-related suicides. However, increasing female suicide rates in the 10-14 age group, as well as increasing rates of death by less common means, warrant close attention. While suicide prevention efforts like structural interventions and means restriction have shown effectiveness among male adolescents, priority should now be given to adapting these approaches for female adolescents, particularly those aged 10-14.

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

Protein Design with Agent Rosetta: A Case Study for Specialized Scientific Agents

arXiv:2603.15952v2 Announce Type: replace Abstract: Large language models (LLMs) are capable of emulating reasoning and using tools, creating opportunities for autonomous agents that execute complex scientific tasks. Protein design provides a natural testbed: although machine learning (ML) methods achieve strong results, these are largely restricted to canonical amino acids and narrow objectives, leaving unfilled need for a generalist tool for broad design pipelines. We introduce Agent Rosetta, an LLM agent paired with a structured environment for operating Rosetta, the leading physics-based heteropolymer design software, capable of modeling non-canonical building blocks and geometries. Agent Rosetta iteratively refines designs to achieve user-defined objectives, combining LLM reasoning with Rosetta's generality. We evaluate Agent Rosetta on design with canonical amino acids, matching specialized models and expert baselines, and with non-canonical residues – where ML approaches fail – achieving comparable performance. Critically, prompt engineering alone often fails to generate Rosetta actions, demonstrating that environment design is essential for integrating LLM agents with specialized software. Our results show that properly designed environments enable LLM agents to make scientific software accessible while matching specialized tools and human experts.