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01.
arXiv (CS.CL) 2026-06-16

Pretraining A Large Language Model using Distributed GPUs: A Memory-Efficient Decentralized Paradigm

Pretraining large language models (LLMs) typically requires centralized clusters with thousands of high-memory GPUs (e.g., H100/A100). Recent decentralized training methods reduce communication overhead by employing federated optimization; however, they still need to train the entire model on each node, remaining constrained by GPU memory limitations. In this work, we propose SParse Expert Synchronization (SPES), a memory-efficient decentralized framework for pretraining mixture-of-experts (MoE) LLMs. SPES trains only a subset of experts per node, substantially lowering the memory footprint. Each node updates its local experts and periodically synchronizes with other nodes, eliminating full-parameter transmission while ensuring efficient knowledge sharing. To mitigate limited per-expert data utilization under sparse expert updates, we introduce an expert-merging warm-up strategy, where experts exchange knowledge early in training, to rapidly establish foundational capabilities. With SPES, we train a 2B-parameter MoE LLM using 16 standalone 48GB GPUs over internet connections, which achieves competitive performance with centrally trained LLMs under similar computational budgets. We further demonstrate scalability by training a 7B model from scratch and a 9B model upcycled from a dense checkpoint, both of which match prior centralized baselines. Our code is available at https://github.com/zjr2000/SPES.

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

Assessing Predictive Models for Fairness Based on Movement Patterns

arXiv:2605.23234v3 Announce Type: replace Abstract: Assessing the spatial fairness of predictive models involves establishing whether they are statistically penalizing (favoring) individuals associated with certain geographical locations. Literature on this topic makes the fundamental assumption that each individual is assigned to a single geographical location (e.g., place of residence). However, fairness with respect to the set of locations where one has been, i.e., their movement patterns over different regions, also matters when fairness is considered. Consequently, we argue that it is necessary to generalize the notion of spatial fairness to also include movement patterns, leading to the novel problem of assessing predictive models for fairness relative to the movements of individuals. To deal with this problem, we propose an approach that first associates the movements of individuals to certain geographic regions, considering multiple spatial partitions with different resolutions and alignments, and then employs a suitable spatial scan statistic to assess whether a predictive model is fair based on movement patterns. In the experimental evaluation, we study the performance of our approach over thousands of synthetic unfair datasets, showing that it is effective at detecting this new type of unfairness and at retrieving the set of objects treated unfairly, while localization performance exhibits a consistent multi-resolution trade-off.

03.
arXiv (CS.AI) 2026-06-24

Prob-BBDM: a Probabilistic Brownian Bridge Diffusion Model for MRI sequence image-to-image translation

arXiv:2606.24313v1 Announce Type: new Abstract: AI-driven image-to-image synthesis is rapidly advancing, with growing applications in medical imaging. Multi-modal image analysis plays a crucial role in optimizing examination quality, yet acquiring multiple imaging modalities in clinical settings remains resource-intensive and time-consuming, especially for 3D imaging. To address this challenge, we propose a novel image-to-image translation model based on Brownian Bridge Diffusion Models (BBDM), which synthesizes magnetic resonance imaging (MRI) sequences from 2D axial slices. Our approach integrates a variational encoder-guided diffusion mechanism, leveraging probabilistic image distributions to enhance synthesis quality. Evaluated on the BraTS 2021 dataset, our Probabilistic-BBDM (Prob-BBDM) achieves superior performance across multiple translation tasks, reaching up to 88.46% SSIM and 26.09 dB PSNR, with consistent improvements over baselines. Notably, our diffusion process requires only 4 steps, making it computationally efficient while maintaining high-quality synthesis. To further validate generalizability, we test Prob-BBDM on an external third-party dataset, demonstrating consistent performance across domains. Additionally, we assess the clinical utility of the synthesized slices by using them as input to a pre-trained segmentation model. Tumor segmentation yields a Dice score of 88.71% and an HD95 of 3.49 mm, confirming that the synthesized slices preserve critical diagnostic information. These results highlight the potential of Prob-BBDM for high-quality, efficient, and generalizable MRI synthesis, offering a promising step toward improved medical image translation.

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

HMR-Net: Hierarchical Modular Routing for Cross-Domain Object Detection in Aerial Images

Despite advances in object detection, aerial imagery remains a challenging domain, as models often fail to generalize across variations in spatial resolution, scene composition, and semantic label coverage. Differences in geographic context, sensor characteristics, and object distributions across datasets limit the capacity of conventional models to learn consistent and transferable representations. Shared methods trained on such data tend to impose a unified representation across fundamentally different domains, resulting in poor performance on region-specific content and less flexibility when dealing with novel object categories. To address this, we propose a novel modular learning framework that enables structured specialization in aerial detection. Our method introduces a hierarchical routing mechanism with two levels of modularity: a domain routing layer that uses latent geographic embeddings to assign inputs to domain-specialized expert modules, and a scene routing mechanism that allocates image subregions to scene-specific expert modules. This allows our method to specialize across datasets and within complex scenes. Additionally, the framework contains a conditional expert module that uses external semantic information (e.g., category names or textual descriptions) to enable detection of novel object categories during inference, without the need for retraining or fine-tuning. By moving beyond monolithic representations, our method provides an adaptive framework for remote sensing object detection. Comprehensive evaluations on four datasets highlight improvements in multi-dataset generalization, region-level specialization, and open-category detection.

05.
arXiv (quant-ph) 2026-06-11

Testing Catability and Coherent Superposition of $2\mathcal{D}$ Graphene Quantum system

arXiv:2605.10967v2 Announce Type: replace Abstract: We develop a theoretical framework for describing superposed coherent states in graphene quantum systems using the concept of catability as a phase-sensitive metric functional measure. In this case, the formalism quantifies interference stability and coherence structure via phase-dependent contributions of quantum superposition states. Catability is defined as a functional measure sensitive to relative phase variations within coherent state combinations, serving as a diagnostic tool for quantum interference effects in graphene-based systems. Also, the formulation is extended using Lie algebra techniques, where the underlying symmetry structure of graphene quantum states is represented through operator algebras governing state transformations in quantum space. In this context, to describe nonlocal propagation and phase-resolved dynamics, a Green function approach is incorporated, enabling systematic treatment of quantum correlations in a spatially extended structures framework. A unified framework is constructed by combining Lie algebraic symmetry analysis with Green function propagation theory, yielding a consistent description of phase-sensitive catability in complex graphene quantum configurations within the framework approach. Results provide a structured route for testing coherence, interference stability, and quantum state control in low-dimensional quantum materials systems.

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

Different Layers, Different Manifolds: Module-Wise Weight-Space Geometry in Transformer Optimization

arXiv:2606.13276v1 Announce Type: cross Abstract: Weight-space geometry plays a central role in neural network optimization, yet manifold constraints are often applied uniformly across all weight matrices. In this work, we ask whether different transformer modules prefer different manifold geometries. We study Manifold Muon for GPT-2 pretraining and compare layer-wise assignments of Stiefel and DGram constraints across attention and MLP blocks. Our results show a clear asymmetry: constraining attention layers with Stiefel geometry while assigning DGram geometry to MLP layers gives the best performance among the tested configurations, whereas the inverted assignment and all-DGram configuration become unstable under the shared hyperparameter setting. We trace this failure to singular value growth in DGram-constrained attention weights, which can amplify attention logits and induce softmax saturation. These findings suggest that symmetry-aware and geometry-aware optimization for transformers should be module-specific rather than uniform.

07.
bioRxiv (Bioinfo) 2026-06-11

HalluDesign-NA: Extending HalluDesign for De Novo Nucleic Acid Design

AlphaFold3 has revolutionized the prediction of biomolecular structures and interactions, including atomic-level modeling of nucleic acids. However, the de novo design of structured and functional nucleic acids remains a significant challenge. Here, we extend our HalluDesign framework to nucleic acid design by integrating NA-MPNN for nucleic acid sequence optimization and design. This new framework, HalluDesign-NA, enables iterative sequence-structure co-optimization, facilitating the de novo design of nucleic acids. Computational benchmarking across ssDNA, ssRNA, and aptamer design tasks demonstrates consistent improvements in confidence scores (pLDDT, ipTM), supporting the feasibility of de novo nucleic acid design under various constraints, such as sequence length, symmetry, and protein structure context. We anticipate that HalluDesign-NA will accelerate the de novo design of functional nucleic acids for applications in biotechnology and medicine. The source code for HalluDesign-NA is available at https://github.com/MinchaoFang/HalluDesign_NA.

08.
arXiv (CS.CL) 2026-06-11

Steering the Noise: Turning Random Perturbations into Effective Descent for Memory-Efficient LLM Fine-Tuning

Fine-tuning large language models (LLMs) achieves strong performance but is often limited by the memory overhead of backpropagation. Zeroth-order (ZO) optimization avoids this overhead by estimating gradients through forward passes alone, yet it typically converges slowly because random Gaussian perturbations yield high-variance gradient estimates in high-dimensional parameter spaces. In this paper, we propose a plug-and-play framework that turns random perturbations into more effective descent directions. The key idea is to draw a small pool of candidate perturbations, evaluate their loss values, and then select or combine those that are best aligned with the optimization objective. We develop two instantiations of this idea: MeZO-GV, which forms a guiding vector from the contrast between low-loss and high-loss perturbation groups, and MeZO-Greedy, which keeps the single best perturbation within a fixed evaluation budget. We theoretically show that both strategies yield a larger per-step reduction in the objective than standard ZO estimation, leading to improved convergence rates. Experiments on LLMs of different scales and architectures confirm that the proposed methods integrate naturally with existing ZO optimizers and consistently improve convergence speed and task accuracy. On OPT-13B, our approach outperforms all ZO baselines across 11 benchmarks and exceeds gradient-based methods on 9 of them, while retaining the memory efficiency of forward-only optimization.

09.
arXiv (CS.LG) 2026-06-17

Stable and Steerable Sparse Autoencoders with Weight Regularization

arXiv:2603.04198v2 Announce Type: replace-cross Abstract: Sparse autoencoders (SAEs) are widely used to extract human-interpretable features from neural network activations, but their learned features can vary substantially across random seeds and training choices. To improve stability, we studied weight regularization by adding L1 or L2 penalties on encoder and decoder weights, and evaluate how regularization interacts with common SAE training defaults. On MNIST, we observe that L2 weight regularization produces a core of highly aligned features and, when combined with tied initialization and unit-norm decoder constraints, it dramatically increases cross-seed feature consistency. For TopK SAEs trained on language model activations (Pythia-70M-deduped), adding a small L2 weight penalty increased the fraction of features shared across three random seeds and roughly doubles steering success rates, while leaving the mean of automated interpretability scores essentially unchanged. Finally, in the regularized setting, activation steering success becomes better predicted by auto-interpretability scores, suggesting that regularization can align text-based feature explanations with functional controllability.

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

AuAu: A Benchmark for Auditing Authoritarian Alignment in Large Language Models

The worldwide surge of authoritarianism, combined with the increasing central role in users' everyday lives, raises the question of to what extent specific models exhibit or promote authoritarian attitudes and characteristics. We introduce AuAu, a comprehensive benchmark that aims to assess the risk of LLMs generating responses with authoritarian tendencies. This benchmark combines three evaluation approaches: (i) psychometric questions from an extensive pool of 15 human validated instruments; (ii) contextual behavior vignettes probing intended actions in concrete situations; and (iii) responses to realistic user prompts. Unlike prior work, AuAu evaluates not only a general closeness towards authoritarianism but also the established sub-concepts Authoritarian Aggression, Authoritarian Submission, and Conventionalism. Evaluating 17 models from China, the EU, Russia, and the USA, we find that all tested models exhibit substantial authoritarian response rates under the psychometric evaluation, though rates drop significantly in increasingly more realistic downstream task. We further find that an authoritarian system prompt easily manipulates 15 out of 17 models to promote increased authoritarianism. Our results underscore the need for continued, systematic auditing of LLM-based AI systems to detect and ultimately mitigate undesired authoritarian tendencies in generated output. Our code and data are available at: https://github.com/andreaseinwiller/AuAu

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

An integrated interpretable control effectiveness learning and nonlinear control allocation methodology for overactuated aircrafts

arXiv:2606.13794v1 Announce Type: cross Abstract: Nonlinear dynamics and the strong couplings that arise between multiple effectors undermine the assumptions behind conventional, linear control allocation techniques. When flight enters regimes where nonlinear effects dominate, linear allocators exhibit reduced accuracy due to increased model mismatch, which subsequently degrades performance and robustness of the flight control system. High fidelity onboard models and black box data driven approaches can recover accuracy across the flight envelope, but respectively impose computational burdens prohibitive for real time allocation and sacrifice the interpretability required for verification and fault diagnosis. This paper addresses these limitations by learning an explicit, physics constrained analytical model of the control effectiveness mapping from representative flight data using Sparse Identification of Nonlinear Dynamics. The resulting mapping is compact, interpretable, and admits analytical derivatives, enabling efficient computation within nonlinear solvers that additionally incorporate actuator dynamics, without requiring an onboard model. An online adaptation mechanism monitors prediction residuals and refreshes the model when significant plant changes are detected, providing graceful reconfiguration under actuator failures and varying operating conditions. The methodology is evaluated on a high fidelity nonlinear benchmark aircraft across a range of aggressive maneuvers, achieving accuracy comparable to a full nonlinear onboard model while substantially reducing computational cost relative to established baselines.

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

Enhancing Decision-Making with Large Language Models through Multi-Agent Fictitious Play

Large language model (LLM)-based multi-agent systems (MAS) have demonstrated great potential in solving tasks with execution complexity, by distributing subtasks across cooperative agents. However, this divide-and-conquer paradigm falls short on decision-making tasks that are also prevalent in the real world. These tasks require simultaneous reasoning from the stances of all involved stakeholders whose decisions are mutually dependent and thus cannot be solved in isolation. We characterize this challenge as stance entanglement, a form of decision complexity distinct from execution complexity. To address it, we propose Multi-Agent Fictitious Play (MAFP), a novel MAS paradigm that represents stakeholder stances as agents and formulates decision-making as an equilibrium-seeking process. Built on the game-theoretic principle of fictitious play, MAFP iteratively updates each agent's decision by best responding to the empirical mixture of other agents' past decisions. This enables agents to expose and address one another's weaknesses, progressively improving decision quality and robustness. We evaluate MAFP on challenging decision-making tasks that test the capability of deciding strategies for competitive scenarios prior to acting. MAFP outperforms both single-round and multi-round baselines on two complementary metrics, tournament strength and robustness, demonstrating its effectiveness in addressing stance entanglement.

13.
arXiv (math.PR) 2026-06-24

Uniform-in-time Gaussian fluctuations for multiscale nonlinear stochastic systems via Malliavin Calculus

arXiv:2606.23865v1 Announce Type: new Abstract: We establish a uniform-in-time quantitative central limit theorem (QCLT) for a nonlinear slow-fast stochastic system. We identify significant weaker sufficient conditions that enable us to obtain time-independent bounds for the Wasserstein distance between the fluctuation process and a centered Gaussian random variable. To prove our main result, we utilize tools from Malliavin calculus, specifically the second-order Poincaré inequality. In this context, applying the Poincaré inequality requires demonstrating uniform bounds over time for both the first- and second-order Malliavin derivatives.

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

Understanding the Behaviors of Environment-aware Information Retrieval

Recent retrieval-augmented generation (RAG) approaches have demonstrated strong capability in handling complex queries, yet current research overlooks a critical challenge: different retrievers require fundamentally different query formulation strategies for optimal performance. In this work, we present the first systematic analysis of how LLMs can learn to adapt their query formulation strategies for different retrievers via reinforcement learning (RL). Our empirical study reveals that RL effectively teaches an LLM to tailor its queries to specific retriever characteristics. We discover that different retrievers exhibit surprisingly distinct optimal query styles (e.g., descriptive vs. question-like), suggesting strategies learned for one retriever ineffective for another. We further show that performance can be enhanced by incorporating retriever-specific human guidance and by scaling model size. To facilitate learning over multi-retrieval-step trajectories, we introduce a branching-based rollout technique that improves training stability. Our work provides the first empirical evidence and actionable insights for building truly retriever-aware RAG systems. Code and resources are available at https://github.com/LCO-Embedding/Envs-aware-Information-Retrieval.

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

Imitating What Works: Simulation-Filtered Modular Policy Learning from Human Videos

The ability to learn manipulation skills by watching videos of humans has the potential to unlock a new source of highly scalable data for robot learning. Here, we tackle prehensile manipulation, in which tasks involve grasping an object before performing various post-grasp motions. Human videos offer strong signals for learning the post-grasp motions, but they are less useful for learning the prerequisite grasping behaviors, especially for robots without human-like hands. A promising way forward is to use a modular policy design, leveraging a dedicated grasp generator to produce stable grasps. However, arbitrary stable grasps are often not task-compatible, hindering the robot's ability to perform the desired downstream motion. To address this challenge, we present Perceive-Simulate-Imitate (PSI), a framework for training a modular manipulation policy using human video motion data processed by paired grasp-trajectory filtering in simulation. This simulation step extends the trajectory data with grasp suitability labels, which allows for supervised learning of task-oriented grasping capabilities. We show through real-world experiments that our framework can be used to learn precise manipulation skills efficiently without any robot data, resulting in significantly more robust performance than using a grasp generator naively.

16.
medRxiv (Medicine) 2026-06-22

Between Patterns and Predictions: Interpretable Latent EEG Representations for Clinical Insights

Electroencephalography (EEG) captures rich brain dynamics, yet in clinical practice this complexity is often reduced to simplified summaries or categorical labels, limiting its interpretability for decision-making. We tested the hypothesis that a pretrained latent embedding framework, the Universal Map of EEG (UM-EEG), can preserve clinically meaningful structure across heterogeneous datasets and provide a generalizable representation of brain states. We applied UM-EEG, without retraining, to three independent cohorts spanning distinct clinical contexts: long-term EEG recordings from cardiac arrest patients (n = 576), subarachnoid hemorrhage (n = 100), and routine clinical EEG recordings containing physiological and pathological patterns (n = 141). EEG segments were projected into a shared 128-dimensional space anchored by expert-derived reference states, including wakefulness, sleep stages, ictal-interictal continuum activity, and burst suppression. Across datasets, favorable outcome or physiological recordings were consistently located closer to healthy reference states, whereas poor outcome and pathological recordings shifted toward pathological regions of the embedding space. Trajectory-derived geometric and temporal features discriminated outcome in cardiac arrest (ROC-AUC 0.83) and subarachnoid hemorrhage (ROC-AUC 0.76), and distinguished physiological from pathological routine EEGs (ROC-AUC 0.93). In routine EEG, similarity relationships derived from embedding trajectories correlated with those derived from structured clinical reports, indicating that the latent space recapitulates clinically relevant organization. These findings show that a fixed, semantically structured EEG embedding generalizes across etiologies and recording settings, enabling prognostic stratification and contextual interpretation while preserving the relational structure of brain states.

17.
medRxiv (Medicine) 2026-06-23

Novel loci and multi-omics risk models for rheumatoid arthritis through a million-participant genome-wide association meta-analysis

Rheumatoid arthritis (RA) remains incompletely understood, limiting targeted prevention. In this work, genome-wide association study meta-analyses were performed for RA and seropositive RA, comprising approximately one million participants of European ancestry. Eight and six novel genomic risk loci were defined for RA and seropositive RA, and candidate causal genes were identified, highlighting relevant biological pathways, including established immune pathways and estrogen metabolism. Novel disease-specific polygenic risk scores (PRSs) were constructed, enhancing predictive performance over clinical risk factors (incremental C-statistics of 2.7 and 5.1 for RA and seropositive RA, respectively). In parallel, integrating metabolomic data into high-dimensional models enhanced risk stratification over models based on clinical risk factors and genomics, particularly for seropositive RA, where the hazard ratio of the highest decile increased from 4.869 to 5.697. These findings expand the understanding of genetic factors underlying RA and support the value of including PRSs in risk assessment, while suggesting metabolomic integration may further enhance risk stratification, particularly for seropositive RA.

18.
arXiv (CS.CV) 2026-06-19

How Fragile Are Training-Free AI-Generated Image Detectors? A Controlled Audit of Score Direction, Preprocessing, and Compression

Training-free detectors of AI-generated images promise generator-agnostic deployment without classifier training, yet their reported numbers are rarely compared under a single controlled protocol. We audit two representative training-free scores – an autoencoder-reconstruction score (AEROBLADE-style) and a noise-perturbation feature-similarity score (RIGID-style) – plus a naive feature-kNN control, on a common 1,500-image GenImage-derived benchmark spanning seven generators and JPEG compression at quality 70 and 50. The audit yields three cautionary findings. (i) Implementation details masquerade as method differences: replacing the LPIPS backbone (AlexNet -> VGG-16) changes overall AUROC by +0.085, and switching between resize-to-512 and native-resolution preprocessing flips per-generator conclusions by up to 0.38 AUROC. (ii) Score direction is not a property of the method but of its hyperparameters: the RIGID-style score is inverted (AUROC < 0.5) on SD1.5 and Wukong at noise level sigma=0.05, recovers to >0.5 for every generator at sigma=0.01, and collapses to 0.15 at sigma=0.3. (iii) Dataset format bias inflates robustness claims: without unified re-encoding, AUROC under JPEG-50 exceeds the clean condition for the AlexNet-backbone reconstruction score; after bias correction the residual anomaly localizes to a single generator (BigGAN). The audited scores have complementary per-generator failure sets, but naive z-score fusion does not beat the best single score, indicating that exploiting complementarity requires direction-aware combination.

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

Not All Invariants Are Equal: Curating Training Data to Accelerate Program Verification with SLMs

arXiv:2603.15510v2 Announce Type: replace Abstract: The synthesis of inductive loop invariants remains a critical bottleneck in automated program verification. While Large Language Models (LLMs) show promise in mitigating this issue, they often fail on complex programs, producing invariants that are invalid or computationally ineffective. Although fine-tuning is a natural strategy to address these limitations, obtaining high-quality training data remains an open challenge. We first formalize the properties required for a high-quality training invariant, and then present Wonda, a rigorous data curation pipeline that extracts such invariants from raw verifier output via AST-based normalization followed by LLM-driven semantic rewriting and augmentation with provable quality guarantees. Fine-tuning Small Language Models (SLMs) on Wonda-curated data yields consistent gains across the Qwen3, Llama-3.1, and Mistral families: the 4B and 8B Qwen3 models nearly double invariant correctness and double speedup rates, while Llama-3.1-8B triples both. On the challenging InvBench suite, the same 4B model outperforms an off-the-shelf model 20x its size and matches the end-to-end verification time of GPT-OSS-120B, while a 14B Qwen3 model matches that of the frontier model GPT-5.2, all without test-time compute overhead. Our code is publicly available on GitHub.

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

One Jailbreak, Many Tongues: Learning Language-Insensitive Intention Representations for Multilingual Jailbreak Detection

Large language models (LLMs) are increasingly deployed in applications for global multilingual users, yet safety training remains concentrated in dominant languages and has not progressed in parallel with multilingual capability, creating exploitable gaps for jailbreak attacks. Current jailbreak defenses are largely developed and evaluated in dominant languages, and their effectiveness is limited by the scarcity of aligned multilingual supervision and representations dispersion caused by language variation. To address this issue, we propose MLJailDe, a multilingual jailbreak detection framework designed to improve both multilingual robustness and cross-lingual generalization. MLJailDe first introduces a multilingual back-translation data augmentation algorithm to construct a semantically consistent and functionally effective dataset spanning 11 languages, consisting of 2,232 benign and 1,239 jailbreak samples. On this basis, MLJailDe employs relative-distance constraints to reduce cross-lingual representation dispersion and encourage jailbreak prompts with similar intent to form consistent clusters across languages, while an imbalance-aware classification objective is further used to alleviate class imbalance and learn more reliable multilingual decision boundaries. Experimental results show that MLJailDe outperforms state-of-the-art baselines across multiple languages, achieving an F1 score of 98.5\%, and obtains an average F1 score of 97.1\% on unseen languages, demonstrating strong effectiveness and cross-lingual generalization.

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

Sustainable Materials Discovery in the Era of Artificial Intelligence

arXiv:2601.21527v3 Announce Type: replace-cross Abstract: Artificial intelligence (AI) has transformed materials discovery, enabling rapid exploration of chemical space through generative models and surrogate screening. Yet current generative AI models for materials discovery, which now drive exploration of vast chemical and structural spaces, optimize candidates exclusively for structural stability and functional properties, with no integration of environmental assessment at any stage of the design loop. Prospective and ex-ante life cycle assessment methods exist and have been applied to emerging technologies, but they operate as standalone downstream analyses, not as active constraints within generative or active-learning pipelines. The result is that environmental feedback, even when produced, arrives after design decisions have been made rather than informing them. The disconnect between atomic-scale design and lifecycle assessment (LCA) reflects fundamental challenges: (i) data scarcity across heterogeneous sources, (ii) scale gaps from atoms to industrial systems, (iii) uncertainty in synthesis pathways, and (iv) the absence of frameworks that co-optimize performance with environmental impact. In this Perspective, we propose integrating upstream ML-assisted materials discovery with downstream LCA into the ML-LCA framework, comprising five components: information extraction for building materials-environment knowledge bases, harmonized databases linking properties to sustainability metrics, multi-scale models bridging atomic properties to lifecycle impacts, ensemble prediction of manufacturing pathways with uncertainty quantification, and uncertainty-aware optimization enabling simultaneous performance-sustainability navigation. Case studies spanning polymers, glass, photoresists, and cement demonstrate both necessity and feasibility while identifying material-specific integration challenges.

22.
arXiv (CS.LG) 2026-06-19

Insulin4RL: Real-Time Insulin Management in the Intensive Care Unit for Offline Reinforcement Learning

arXiv:2606.19481v1 Announce Type: new Abstract: Offline reinforcement learning (ORL) offers the potential to improve the quality of clinical decision-making using historical electronic health record (EHR) data. Current training and evaluative practices in this field rely heavily on EHR datasets that have been temporally discretised into fixed, regular time intervals. Discretisation creates fictional representations of complex clinical scenarios and compromises the generalisability of retrospective model evaluations. In this paper, we introduce Insulin4RL, a healthcare ORL dataset featuring naturally irregular inputs and actions from real clinical trajectories. Derived from MIMIC-IV, Insulin4RL comprises over 375,000 labelled decisions across 12,209 patients requiring insulin infusion titration in the Intensive Care Unit. The dataset can thus be used for research into ORL model performance under realistic clinical sampling assumptions. We provide a description of the dataset's structure and characteristics, baseline performance metrics using model-free offline reinforcement learning, and a standardised evaluation protocol using fitted Q-evaluation. We conclude with suggested areas for future research that could be addressed using this resource.

23.
arXiv (math.PR) 2026-06-15

On a stochastic phase-field model of cell motility with singular diffusion

arXiv:2601.05881v2 Announce Type: replace Abstract: We study existence of solutions in the variational sense for a class of stochastic phase-field models describing moving boundary problems. The models consist of stochastic reaction-diffusion equations with singular diffusion forced by a phase-field. We investigate both the case of an independently evolving phase-field and of coupled phase-field evolution driven by a viscous Hamilton-Jacobi equation. Such systems are used in the modelling of single-cell chemotaxis, where the contour of the cell shape corresponds to a level set of the phase-field. The technical challenge lies in the singularities at zero level sets of the phase-field. For large classes of initial data, we establish global existence of probabilistically weak solutions in $L^2$-spaces with weights which compensate for the singularities.

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

SP-GCRL: Influence Maximization on Incomplete Social Graphs

arXiv:2605.12513v2 Announce Type: replace-cross Abstract: Influence maximization (IM) in real platforms is challenged by incomplete, noisy social graphs and non-stationary diffusion dynamics. We propose SP-GCRL, a social-propagation-aware graph contrastive reinforcement learning framework that learns end-to-end seed selection under partial observability.We first introduce a social-propagation-aware nonlinear diffusion function to model reinforcement/diminishing effects and probability drift under repeated exposure; we then construct dual structural views and perform contrastive learning to obtain node representations robust to missing edges and weak ties, while replacing expensive strategy metrics with a GAT-based regression surrogate to improve efficiency and scalability; finally, we use DDQN to learn an end-to-end seed selection policy on top of these representations. Experiments on multiple real-world networks show that SP-GCRL achieves significant gains over heuristic and learning-based baselines across budgets and topologies, while maintaining strong large-scale scalability.

25.
medRxiv (Medicine) 2026-06-15

Bidirectional associations between cannabis use, oddball performance, and P3 event-related potential

Importance: Cannabis use remains prevalent in youth despite concerns regarding its potential impact on cognitive function. Unraveling whether the association between cannabis use and cognition is partially due to preexisting differences or primarily related to use is vital to understanding underlying mechanisms. Objective: To estimate the longitudinal association between cannabis initiation and cognitive trajectories, indexed by task performance and P3 event-related potential (ERP), and to estimate whether baseline cognition is associated with cannabis initiation. Design: Data were analyzed from the ongoing longitudinal Collaborative Study on the Genetics of Alcoholism (COGA) cohort, which was followed up approximately every 2-5 years from 2004 to 2025. Setting: 6 sites across the United States. Participants: Adolescent and young adult offspring of past COGA participants and control families who reported on their cannabis use and who had Visual Oddball (VOP) performance and P3 ERP data (N=4814; 52.4% female, 68.4% white) were grouped based on the timing of cognitive data collection relative to cannabis initiation into Pre-onset (n=2,449; [&ge;]1 assessment) and Post-onset (n=998; [&ge;]3 assessments) subsamples. Main Outcomes and Measures: VOP measures include performance accuracy (%), reaction times (ms), and P3 amplitude (V) and latency (ms) during target trials. Cannabis measures included lifetime use of cannabis (i.e., ever used) and age at first use. Results: High P3 amplitude, and prolonged P3 latency and reaction time were associated with a reduced hazard of cannabis initiation (All Hazards Ratio, [H.R.s]< 0.91, p's