The rapid advancement of diffusion models and personalization techniques has made it possible to recreate individual portraits from just a few publicly available images. While such capabilities empower various creative applications, they also introduce serious privacy concerns, as adversaries can exploit them to generate highly realistic impersonations. To counter these threats, anti-personalization methods have been proposed, which add adversarial perturbations to published images to disrupt the training of personalization models. However, existing approaches largely overlook the intrinsic multi-image nature of personalization and instead adopt a naive strategy of applying perturbations independently, as commonly done in single-image settings. This neglects the opportunity to leverage inter-image relationships for stronger privacy protection. Therefore, we advocate for a group-level perspective on privacy protection against personalization. Specifically, we introduce Cross-image Anti-Personalization (CAP), a novel framework that enhances resistance to personalization by enforcing style consistency across perturbed images. Furthermore, we develop a dynamic ratio adjustment strategy that adaptively balances the impact of the consistency loss throughout the attack iterations. Extensive experiments on the classical CelebHQ and VGGFace2 benchmarks show that CAP substantially improves existing methods.

Mobile manipulation robots are continuously advancing, with their grasping capabilities rapidly progressing. However, there are still significant gaps preventing state-of-the-art mobile manipulators from widespread real-world deployments, including their ability to reliably grasp items in unstructured environments. To help bridge this gap, we developed SHOPPER, a mobile manipulation robot platform designed to push the boundaries of reliable and generalizable grasp strategies. We develop these grasp strategies and deploy them in a real-world grocery store -- an exceptionally challenging setting chosen for its vast diversity of manipulable items, fixtures, and layouts. In this work, we present our detailed approach to designing general grasp strategies towards picking any item in a real grocery store. Additionally, we provide an in-depth analysis of our latest real-world field test, discussing key findings related to fundamental failure modes over hundreds of distinct pick attempts. Through our detailed analysis, we aim to offer valuable practical insights and identify key grasping challenges, which can guide the robotics community towards pressing open problems in the field.

Semi-supervised domain generalization (SSDG) leverages a small fraction of labeled data alongside unlabeled data to enhance model generalization. Most of the existing SSDG methods rely on pseudo-labeling (PL) for unlabeled data, often assuming access to domain labels-a privilege not always available. However, domain shifts introduce domain noise, leading to inconsistent PLs that degrade model performance. Methods derived from FixMatch suffer particularly from lower PL accuracy, reducing the effectiveness of unlabeled data. To address this, we tackle the more challenging domain-label agnostic SSDG, where domain labels for unlabeled data are not available during training. First, we propose a feature modulation strategy that enhances class-discriminative features while suppressing domain-specific information. This modulation shifts features toward Similar Average Representations-a modified version of class prototypes-that are robust across domains, encouraging the classifier to distinguish between closely related classes and feature extractor to form tightly clustered, domain-invariant representations. Second, to mitigate domain noise and improve pseudo-label accuracy, we introduce a loss-scaling function that dynamically lowers the fixed confidence threshold for pseudo-labels, optimizing the use of unlabeled data. With these key innovations, our approach achieves significant improvements on four major domain generalization benchmarks-even without domain labels. We will make the code available.

Political advertising plays a pivotal role in shaping public opinion and influencing electoral outcomes, often through subtle persuasive techniques embedded in broader propaganda strategies. Detecting these persuasive elements is crucial for enhancing voter awareness and ensuring transparency in democratic processes. This paper presents an integrated approach that bridges model development and real-world application through two interconnected studies. First, we introduce a lightweight model for persuasive text detection that achieves state-of-the-art performance in Subtask 3 of SemEval 2023 Task 3 while requiring significantly fewer computational resources and training data than existing methods. Second, we demonstrate the model's practical utility by collecting the Australian Federal Election 2022 Facebook Ads (APA22) dataset, partially annotating a subset for persuasion, and fine-tuning the model to adapt from mainstream news to social media content. We then apply the fine-tuned model to label the remainder of the APA22 dataset, revealing distinct patterns in how political campaigns leverage persuasion through different funding strategies, word choices, demographic targeting, and temporal shifts in persuasion intensity as election day approaches. Our findings not only underscore the necessity of domain-specific modeling for analyzing persuasion on social media but also show how uncovering these strategies can enhance transparency, inform voters, and promote accountability in digital campaigns.

Training general-purpose robots requires learning from large and diverse data sources. Current approaches rely heavily on teleoperated demonstrations which are difficult to scale. We present a scalable framework for training manipulation policies directly from human video demonstrations, requiring no robot data. Our method converts human demonstrations into robot-compatible observation-action pairs using hand pose estimation and visual data editing. We inpaint the human arm and overlay a rendered robot to align the visual domains. This enables zero-shot deployment on real hardware without any fine-tuning. We demonstrate strong success rates-up to 92%-on a range of tasks including deformable object manipulation, multi-object sweeping, and insertion. Our approach generalizes to novel environments and supports closed-loop execution. By demonstrating that effective policies can be trained using only human videos, our method broadens the path to scalable robot learning.

Objective. Heart failure is one of the leading causes of death worldwide, with millions of deaths each year, according to data from the World Health Organization (WHO) and other public health agencies. While significant progress has been made in the field of heart failure, leading to improved survival rates and improvement of ejection fraction, there remains substantial unmet needs, due to the complexity and multifactorial characteristics. This study aims to propose and evaluate a composable strategy framework for assessment and treatment optimization in heart failure, designed to provide more holistic patient evaluation and management. Approach. The framework leverages multi-modal algorithms to analyze a comprehensive range of patient data, explicitly integrating cine cardiac magnetic resonance (cine CMR) sequences, structured clinical metrics (e.g., lab results, demographics), and unstructured textual records (e.g., medical history, prescriptions). By integrating these various data sources, our framework offers a more holistic evaluation and optimized treatment plan for patients. Main results. The multi-modal framework demonstrates superior accuracy in HF prognosis prediction compared to single-modal AI algorithms. Additionally, it enables a detailed evaluation of the impact of various pathological indicators on HF outcomes. Significance. By integrating heterogeneous clinical data in a systematic manner, this approach supports more comprehensive prognosis assessment and facilitates optimized, personalized treatment planning for heart failure patients.

Compositional understanding allows visual language models to interpret complex relationships between objects, attributes, and relations in images and text. However, most existing methods often rely on hard negative examples and fine-tuning, which can overestimate improvements and are limited by the difficulty of obtaining hard negatives. In this work, we introduce Zero-Shot Compositional Understanding (ZS-CU), a novel task that enhances compositional understanding without requiring hard negative training data. We propose YUKINO (Yielded Compositional Understanding Knowledge via Textual Inversion with NO), which uses textual inversion to map unlabeled images to pseudo-tokens in a pre-trained CLIP model. We propose introducing "no" logical regularization to address the issue of token interaction in inversion. Additionally, we suggest using knowledge distillation to reduce the time complexity of textual inversion. Experimental results show that YUKINO outperforms the existing multi-modal SOTA models by over 8% on the SugarCREPE benchmark, and also achieves significant improvements in image retrieval tasks.

Large vision-language models (LVLMs) have achieved impressive results in various vision-language tasks. However, despite showing promising performance, LVLMs suffer from hallucinations caused by language bias, leading to diminished focus on images and ineffective visual comprehension. We identify two primary reasons for this bias: 1. Different scales of training data between the pretraining stage of LLM and multimodal alignment stage. 2. The learned inference bias due to short-term dependency of text data. Therefore, we propose LACING, a systemic framework designed to address the language bias of LVLMs with muLtimodal duAl-attention meChanIsm (MDA) aNd soft-image Guidance (IFG). Specifically, MDA introduces a parallel dual-attention mechanism that enhances the integration of visual inputs across the model. IFG introduces a learnable soft visual prompt during training and inference to replace visual inputs, designed to compel LVLMs to prioritize text inputs. Then, IFG further proposes a novel decoding strategy using the soft visual prompt to mitigate the model's over-reliance on adjacent text inputs. Comprehensive experiments demonstrate that our method effectively debiases LVLMs from their language bias, enhancing visual comprehension and reducing hallucinations without requiring additional training resources or data. The code and model are available at [lacing-lvlm.github.io](https://lacing-lvlm.github.io).

Time series anomaly detection (TSAD) underpins real-time monitoring in cloud services and web systems, allowing rapid identification of anomalies to prevent costly failures. Most TSAD methods driven by forecasting models tend to overfit by emphasizing minor fluctuations. Our analysis reveals that effective TSAD should focus on modeling "normal" behavior through smooth local patterns. To achieve this, we reformulate time series modeling as approximating the series with smooth univariate functions. The local smoothness of each univariate function ensures that the fitted time series remains resilient against local disturbances. However, a direct KAN implementation proves susceptible to these disturbances due to the inherently localized characteristics of B-spline functions. We thus propose KAN-AD, replacing B-splines with truncated Fourier expansions and introducing a novel lightweight learning mechanism that emphasizes global patterns while staying robust to local disturbances. On four popular TSAD benchmarks, KAN-AD achieves an average 15% improvement in detection accuracy (with peaks exceeding 27%) over state-of-the-art baselines. Remarkably, it requires fewer than 1,000 trainable parameters, resulting in a 50% faster inference speed compared to the original KAN, demonstrating the approach's efficiency and practical viability.

While machine learning models have proven effective across various scenarios, it is widely acknowledged that many models are vulnerable to adversarial attacks. Recently, there have emerged numerous efforts in adversarial defense. Among them, certified defense is well known for its theoretical guarantees against arbitrary adversarial perturbations on input within a certain range (e.g., $l_2$ ball). However, most existing works in this line struggle to generalize their certified robustness in other data domains with distribution shifts. This issue is rooted in the difficulty of eliminating the negative impact of spurious correlations on robustness in different domains. To address this problem, in this work, we propose a novel certified defense framework GLEAN, which incorporates a causal perspective into the generalization problem in certified defense. More specifically, our framework integrates a certifiable causal factor learning component to disentangle the causal relations and spurious correlations between input and label, and thereby exclude the negative effect of spurious correlations on defense. On top of that, we design a causally certified defense strategy to handle adversarial attacks on latent causal factors. In this way, our framework is not only robust against malicious noises on data in the training distribution but also can generalize its robustness across domains with distribution shifts. Extensive experiments on benchmark datasets validate the superiority of our framework in certified robustness generalization in different data domains. Code is available in the supplementary materials.

We introduce Gaga, a framework that reconstructs and segments open-world 3D scenes by leveraging inconsistent 2D masks predicted by zero-shot class-agnostic segmentation models. Contrasted to prior 3D scene segmentation approaches that rely on video object tracking or contrastive learning methods, Gaga utilizes spatial information and effectively associates object masks across diverse camera poses through a novel 3D-aware memory bank. By eliminating the assumption of continuous view changes in training images, Gaga demonstrates robustness to variations in camera poses, particularly beneficial for sparsely sampled images, ensuring precise mask label consistency. Furthermore, Gaga accommodates 2D segmentation masks from diverse sources and demonstrates robust performance with different open-world zero-shot class-agnostic segmentation models, significantly enhancing its versatility. Extensive qualitative and quantitative evaluations demonstrate that Gaga performs favorably against state-of-the-art methods, emphasizing its potential for real-world applications such as 3D scene understanding and manipulation.

Machine learning has been successfully applied to improve the efficiency of Mixed-Integer Linear Programming (MILP) solvers. However, the learning-based solvers often suffer from severe performance degradation on unseen MILP instances -- especially on large-scale instances from a perturbed environment -- due to the limited diversity of training distributions. To tackle this problem, we propose a novel approach, which is called Adversarial Instance Augmentation and does not require to know the problem type for new instance generation, to promote data diversity for learning-based branching modules in the branch-and-bound (B&B) Solvers (AdaSolver). We use the bipartite graph representations for MILP instances and obtain various perturbed instances to regularize the solver by augmenting the graph structures with a learned augmentation policy. The major technical contribution of AdaSolver is that we formulate the non-differentiable instance augmentation as a contextual bandit problem and adversarially train the learning-based solver and augmentation policy, enabling efficient gradient-based training of the augmentation policy. To the best of our knowledge, AdaSolver is the first general and effective framework for understanding and improving the generalization of both imitation-learning-based (IL-based) and reinforcement-learning-based (RL-based) B&B solvers. Extensive experiments demonstrate that by producing various augmented instances, AdaSolver leads to a remarkable efficiency improvement across various distributions.

Accurate forecasting of renewable generation is crucial to facilitate the integration of Renewable Energy Sources into the power system. Focusing on photovoltaic (PV) units, forecasting methods can be divided into two main categories: physics-based and data-based strategies, with Artificial Intelligence (AI)-based models providing state-of-the-art performance. However, while these AI-based models can capture complex patterns and relationships in the data, they ignore the underlying physical prior knowledge of the phenomenon. Therefore, in this paper, we propose MATNet, a novel transformer-based multimodal architecture for multi-step day-ahead PV power generation forecasting. The model is fed with historical PV data and historical and forecast weather data through a multi-level joint fusion approach, employing a soft-attention mechanism at multiple fusion stages. We evaluate the effectiveness of MATNet on the Ausgrid benchmark dataset, where it significantly outperforms various baseline models, achieving an RMSE of 0.0445, corresponding to a relative improvement of approximately 65% compared to the best-performing baseline method. The analysis is further enriched by a comprehensive set of ablation studies, a sensitivity analysis on missing data, which highlights MATNet's resilience to input degradation, a cross-site zero-shot generalization evaluation on five external PV datasets, demonstrating MATNet's robustness under significant domain shifts, and an assessment of the model's computational complexity, confirming its favorable balance between predictive accuracy and computational efficiency. These results highlight MATNet's potential as a reliable and efficient solution to facilitate the integration of PV energy into the power grid. The code is available at https://github.com/arco-group/MATNet.

We study language generation in the limit under bounded memory. In this task, a learner observes examples from an unknown target language one at a time and must eventually output only new valid examples. Prior work assumes access to the entire history, a strong assumption since realistic algorithms retain limited past information. Classical work in learning theory shows memory constraints dramatically alter learnability; we extend this to language generation. First, we study memoryless generators. Under a mild enumeration restriction, every countable collection of infinite languages remains generable without memory. Without this restriction, we exactly characterize when memoryless generation is possible. For finite collections, we characterize the optimal minimax density achievable by memoryless generators -- the best density guaranteed against any collection of a given size. This combinatorial bound relies on Sperner's theorem and symmetric chain decompositions. We further show that a sliding window of the last $W$ examples does not improve this worst-case density, whereas allowing it to store $b$ adaptively chosen past examples improves the achievable density for every $b \geq 1$. Finally, we revisit identification in the limit, where the learner must converge to a single correct hypothesis for the target language. We focus on its incremental variant, where the learner remembers only its previous guess. Here, although exact identification fails on a collection of just three languages, a mild relaxation requiring convergence to an ``approximate'' version of the target is achievable for every finite collection. These results show bounded memory affects these tasks differently: generation remains achievable for every countable collection, while density and identification are confined to finite collections, with guarantees weakening as the collection grows.

A central goal of modern causal inference is estimating heterogeneous treatment effects to answer questions like "how does an intervention affect each unit," rather than only on average. We study this problem with panel-data where we observe $n$ units across $m$ times under unknown, non-uniform treatment assignments. The data in this setting is naturally represented as a matrix of all unit--time treatment effects. Estimating heterogeneous treatment effects can then be expressed as obtaining a good estimation of each row's average in this matrix. This allows us to formulate the problem as matrix completion, which can be solved under natural low-rankness assumptions. However, existing matrix-completion guarantees are not powerful enough to get meaningful bounds for the per-row guarantee required for estimating the heterogeneous treatment effect; roughly speaking, they are only useful for estimating average treatment effect bounds, as also illustrated in a recent line of work. We give a simple, computationally efficient estimator that, without knowledge of the propensities and under standard low-rankness and regularity assumptions, achieves a row-wise $\ell_2$ error of $\tilde{O}(\sqrt{\frac{1}{n} + \frac{n}{m^2}})$. Technically, our analysis establishes the first sharp row-wise $\ell_2$-perturbation bound for low-rank approximation, complementing existing spectral-, Frobenius-, and entrywise perturbation theory.

Portrait photography is largely decided before the shutter opens: the subject's pose, the camera configuration, and the lighting devices must be coordinated within the surrounding 3D scene. In contrast, most existing computational methods focus on post-production in 2D image space, such as retouching, relighting, or editing images that already exist; pre-capture photographic planning remains largely unexplored. We introduce 3D aesthetic portrait planning, the task of generating human pose, camera, lighting, and exposure plans that produce visually compelling portraits while satisfying geometric and photometric feasibility in a 3D scene. Our approach builds a Photographic Scene Graph that represents scene affordances, subject-scene relations, and portrait-relevant lighting structure. Built on this representation, we perform aesthetic-guided comparative planning over previous attempts and current viewfinder observations. Experiments across diverse indoor and outdoor scenes show that our method produces portraits preferred by human raters and MLLM evaluators over competitive baselines, while maintaining high physical plausibility. Together, our results suggest a path from post-capture correction toward pre-capture computational portrait planning. Project repository: https://github.com/songrise/Before-the-Shutter

Traditional cryptography, rooted in problems, e.g., integer factorisation or discrete log, is inevitably vulnerable to a fully operational quantum computer. Although it remains an engineering frontier, the looming threat extends to encrypted data stored today, which could be decrypted in the future with quantum capabilities. To safeguard against this eventuality, the backbone of the modern quantum-safe cryptography is the Shortest Vector Problem (SVP). We enhance Laarhoven's treatment of Ajtai et al.'s sieving as a genetic algorithm (GA) for the SVP by incorporating domain-informed SVP representation and crossover while naturally extending application to the module lattices.

This paper studies preference-shaped expected improvement criteria for Bayesian multiobjective optimization. We consider two indicator families which are often used for similar algorithmic purposes, but which are geometrically different. The hypervolume indicator is based on a dystopian reference point and measures dominated volume in objective space. The R2 indicator is based on a utopian point and evaluates approximation sets through weighted Tchebycheff scalarization envelopes. The purpose of the paper is to make precise which preference transformations preserve exact computation, Pareto compatibility, and monotonicity properties, and which transformations change the underlying geometry. On the hypervolume side, we revisit canonical EHVI through the Deng representation, formulate product-density weighted EHVI in desirability coordinates, discuss cone-based EHVI as ordinary EHVI after a linear cone transformation, and separate these cases from truncated EHVI, where variance monotonicity may fail. On the R2 side, we prove that exact integral R2 improvement is not, in general, an ordinary objective-space weighted hypervolume. The obstruction is lower-dimensional: Lebesgue-density hypervolume cannot see certain boundary contributions that Tchebycheff scalarizations still detect. We then show that exact integral R2 improvement is exactly a scalarization-space volume, namely the measure of the Tchebycheff shadow between the incumbent scalarization envelope and the reference envelope. This representation yields finite-sum ER2I algorithms for discrete R2, quadrature methods for exact integral R2, and an achievement-space Gaussian surrogate formulation in which ER2I is an integral of scalar Gaussian expected improvements.

Low-dimensional embeddings are widely used as visual summaries of high-dimensional data and to enable downstream scientific discoveries. Yet, popular nonlinear dimension reduction methods, such as t-SNE and UMAP, are often selected based on visual appeal alone and without rigorous quantitative validation. A major reason is that manifold embeddings typically do not provide an out-of-sample map nor an inverse back to the original feature space; this makes held-out validation, the gold standard in supervised learning, all but impossible. To address these challenges, we develop a novel framework, MEDAL (Manifold Embedding Distillation via Autoencoder Learning), which distills a fitted manifold embedding into a reusable encoder--decoder model. MEDAL trains a constrained autoencoder whose bottleneck exactly matches any teacher embedding while the decoder reconstructs the original input; this yields an explicit map for new samples, an approximate inverse, and a pointwise reconstruction-based measure of distortion in the manifold space. This converts static manifold embeddings into models that can be evaluated on held-out data, enabling quantitative validation including comparing different dimension reduction methods as well as hyperparameter tuning. Across multiple benchmark and scientific case studies, we show that MEDAL enables held-out validation to determine optimal manifold embeddings and hyperparameters, reveals biologically coherent regions that are difficult to preserve in two dimensional embeddings, and detects distribution shift when new samples are mapped into a fixed reference manifold. MEDAL provides a general validation wrapper to any existing dimension reduction technique that will improve the rigor and reliability of dimension reduction in scientific workflows.

The recent, super-exponential scaling of autonomous Large Language Model (LLM) agents signals a broader, fundamental paradigm shift from machines primarily replacing the human hands (manual labor and mechanical processing) to machines delegating for the human minds (cognition, reasoning, and intention). The uncontrolled offloading and scaling of "thinking" itself, beyond human's limited but efficient biological capacity, has profound consequences for humanity's heat balance sheet, since thinking, or intelligence, carries thermodynamic consequences. The Earth has already surpassed the heat dissipation threshold required for long-term ecological stability, and projecting based on empirical data reveal a concerning trajectory: without radical structural intervention, anthropogenic heat accumulation will breach critical planetary ecological thresholds in less than 6.5 years, even under the most ideal scenario where Earth Energy Imbalance (EEI) holds constant. In this work, we identify six factors from artificial intelligence that influence the global heat dissipation rate and delineate how their interplay drives society toward one of four broad macroscopic trajectories. We propose that the integration of artificial intelligence and its heat dissipation into the planetary system constitute the tenth planetary boundary (9+1). The core empirical measurement of this boundary is the net-new waste heat generated by exponential AI growth, balanced against its impact on reducing economic and societal inefficiencies and thus baseline anthropogenic waste heat emissions. We demonstrate that managing AI scaling lacks a moderate middle ground: it will either accelerate the breach of critical planetary thermodynamic thresholds, or it will serve as the single most effective lever on stabilizing the other nine planetary boundaries and through which safeguarding human civilization's survival.

Diffusion models are central to generative modeling and have been adapted to graphs by diffusing adjacency matrix representations. The challenge of having up to $n!$ such representations for graphs with $n$ nodes is only partially mitigated by using permutation-equivariant learning architectures. Despite their computational efficiency, existing graph diffusion models struggle to distinguish certain graph families and their spectra, unless graph data are augmented with ad hoc features. This shortcoming stems from enforcing the inductive bias within the learning architecture. In this work, we leverage random matrix theory to analytically extract the spectral properties of the diffusion process, allowing us to push most of the inductive bias from the architecture into the dynamics. Building on this, we introduce the Dyson Diffusion Model, which employs Dyson's Brownian motion to capture the spectral dynamics of an Ornstein-Uhlenbeck process on the adjacency matrix. Furthermore, conditioned on the spectral dynamics, we formulate a Lie group diffusion, appropriately modeling the remaining degrees of freedom. Strikingly, the resulting learning problem becomes permutation invariant at the Lie algebra level. We demonstrate that the Dyson Diffusion Model learns graph spectra accurately and outperforms existing graph diffusion models.

Large language models (LLMs) show promise in generating supportive responses for mental health queries, but improving their usefulness, empathy, and safety often requires substantial compute, expert input, and labeled data. At the same time, deploying proprietary, cloud-based models for mental health-related interactions raises important privacy and data-governance concerns, given the sensitivities. To address this challenge, we introduce LLUMI setup that can be hosted in-house within protected environments. LLUMI consists of two complementary components: a generation model (GM), which drafts supportive responses to mental health queries, and an improvement model (IM), which revises an initial human-crafted response. We leverage feedback signals from Reddit mental health communities, using community endorsement patterns such as upvotes and downvotes to construct chosen-rejected response pairs for Supervised Fine Tuning (SFT) and Direct Preference Optimization (DPO). We further align LLUMI using human evaluation across five dimensions: readability, empathy, connection, actionability, and safety. Our results show that, despite relying on smaller open-source models rather than proprietary cloud-based GPT models, LLUMI achieves comparable performance across linguistic analyses and human evaluations. These findings suggest that open-source models, when trained with community-derived preference signals, can support high-quality mental health support assistance while offering a more privacy-preserving alternative for sensitive support contexts.

While Multi-Agent Systems (MAS) empower Large Language Models to tackle complex reasoning tasks through collaborative interaction, optimizing their dynamics remains a formidable challenge due to the discrete, non-differentiable nature of the computation graph and the sparsity of global supervisory signals. Existing black-box optimizers struggle to attribute trajectory-level failure to specific local components, resulting in inefficient, high-variance exploration. We argue that tractable MAS optimization needs structural inductive biases to disentangle error signals. We propose temporal and structural credit assignment, which decomposes the objective along two axes: (i) temporal credit, using state-space bottlenecks to identify critical rounds, and (ii) structural credit, using stationary role policies to isolate agent contributions. Leveraging these decomposed signals, we introduce a discrete, verbalized block coordinate descent algorithm for iterative refinement. Rather than indiscriminate global updates, it alternates between optimizing role prompts and aggregation protocols, using LLM-generated "proxy gradients" to target only the identified weak links. Across diverse reasoning benchmarks, our approach substantially reduces query complexity while improving performance, providing a principled and interpretable path toward self-improving MAS.

Message-passing neural networks (MPNNs) are widely used for molecular property prediction, but their deployment as monolithic architectures makes it difficult to identify how specific message-passing operators affect performance. We present an operator-level factorial benchmark that decomposes 2D molecular MPNNs into the three families of message-seed initialization, node-edge fusion, and node update operators. The resulting 84 configurations are benchmarked on ten MoleculeNet datasets under a shared experimental setup and statistical analysis protocol. Across this controlled design, performance variation is associated primarily with message construction rather than update complexity. Message-seed initialization shows significant family-level effects for both regression and classification, node-edge fusion shows a significant family-level effect for regression with descriptive advantages for concatenation-based mixing, and the update family shows no statistically supported effect for either endpoint family. A representation probe into the Quinethazone molecule further demonstrates that concatenation-based mixing can better differentiate chemically distinct heteroatoms and withstand oversmoothing than Hadamard gating. Representative configurations selected separately for classification and regression recover competitive performance relative to established molecular graph neural network (GNN) baselines, ranking numerically best on eight of ten benchmark datasets. These empirical results are interpreted through concise mechanistic analyses of representative node-edge fusion and update operators. Our findings provide empirical design heuristics for molecular MPNNs by turning model design from a search over monolithic architectures into a targeted assessment of where and how chemical information enters the message-passing pipeline.

We show that LoRA adapters, the dominant distribution format for fine-tuned LLMs, can be reliably backdoored through training data poisoning while preserving baseline task performance. On a Qwen 2.5 1.5B prompt-injection classifier, a small fraction of poisoned examples drives a clean-accuracy-preserving backdoor to saturation. The resulting backdoor generalizes at the token feature level rather than the structural pattern level: a model trained on one RFC reference activates on any RFC reference but does not transfer to structurally identical ISO, OWASP, CWE, or NIST citations. This asymmetry favors the attacker, since a defender cannot probe for "structured citations" generically. We characterize the attack across base-model scale and family, LoRA rank, and trigger string, and evaluate two complementary detection routes against a multi-seed adapter cohort. A behavioral detector built from two probe-battery statistics, outlier_gap and mean_attack_rate, separates poisoned from clean adapters perfectly when the battery overlaps the trigger's token neighborhood and at high recall with zero false positives when it does not. A weight-level statistic, the cross-module standard deviation of dimension-normalized Frobenius norms, also separates the cohort perfectly without running the model. Combined, the two routes are robust to probe composition. Causal patching localizes the backdoor to the MLP block at mid-to-late layers, with down_proj as the strongest single-projection cause. Replications across scale, family, and rank show the behavioral detector transfers without retuning, while the weight-level detector is calibration-bound to the base model. The attack scales monotonically with rank, and the chosen trigger-anchor token is both trigger-dependent and base-model-dependent. Behavioral detection is the operationally portable result for adapter supply chain scanning.

Cluster analysis is a widely applied machine learning technique to understand the existing patterns in the population of gamma-ray bursts (GRBs), in order to explore their physical sources. In the present scenario, the number of clusters corresponding to differentiable groups is still under conflict, in spite of numerous attempts with the state-of-the-art clustering procedures. This crucial unknown parameter needs to be evaluated, either directly or indirectly in terms of other tuning parameters, to produce the clusters in GRBs through implementation of an appropriate clustering algorithm. While most of the applied algorithms reached two physically explained groups of merger and collapsar predominated by the short and long bursts respectively, other statistical approaches violated this binary partition. However, physical establishment of any additional cluster(s) is not yet confirmed. Therefore, we propose a new algorithm, from a different stream of clustering referred to as `completely parameter-free', which carries out the classification of GRBs in a manner that has not been tried so far. It indicates two main groups, of short and long duration bursts from the BATSE sample, compatible with the merger-collapsar theory.

While Large Vision-Language Models (VLMs) excel at interpolation, they suffer catastrophic failures in systematic generalization, most notably in visual counting. In this work, we investigate this extrapolation bottleneck by deconstructing visual counting into three cognitive stages: visual individuation, magnitude awareness, and symbolic mapping. Using synthetic Go boards and linear probes, we demonstrate that visual backbones maintain robust, linearly separable representations of quantity well into the extrapolation regime, ruling out perceptual failure. Furthermore, models retain latent magnitude awareness, successfully performing comparative reasoning on quantities they fail to enumerate. We pinpoint the collapse to the symbolic mapping stage, where the model fails to project valid visual magnitudes onto symbolic tokens. Our findings support a frac tured magnitude hypothesis: VLMs fail to acquire a universal number space, instead learning disjoint, modality-specific statistical manifolds that prevent cross-modal grounding for unseen quantities. Validated on the state-of-the-art foundation model, our results suggest that bridging this gap requires inductive priors enforcing unified representations, as data scaling alone is insufficient.

Predicting a complete spatially correlated field from sparse observations is a fundamental challenge in spatial statistics and environmental modelling. Classical interpolation methods such as Kriging rely on Gaussian process assumptions and variography, which can limit their effectiveness in non-stationary settings and require substantial domain expertise. In this work, we leverage an architecture based on convolutional neural networks (CNNs) for spatial interpolation that is trained and applied on a single partially observed field, without access to external data or prior fields. The model is supervised directly on the observed locations and learns to predict values at unobserved points on the user defined grid. Unlike Kriging, our method does not require explicit covariance modelling or variogram estimation, and it can flexibly capture local spatial patterns in a data-driven manner. This work demonstrates the potential of CNNs for single-instance spatial interpolation under sparse supervision, offering a practical alternative to classical geostatistical methods, and extending the use of CNNs to a new problem domain.

Score-based diffusion models have demonstrated remarkable empirical success in learning high-dimensional distributions, particularly those exhibiting low-dimensional and multi-modal structures. However, theoretical understanding of their statistical efficiency remains limited. Existing theories typically rely on strong regularity assumptions, such as uniformly bounded densities or globally smooth score functions, which fail to capture such intrinsic structures. In this work, we study the sample complexity of diffusion models for learning distributions supported on a union of low-dimensional subspaces. Assuming that the data distribution within each subspace is subgaussian, we show that diffusion models require at most $\widetilde{O}(\varepsilon^{-k \vee 2})$ samples to achieve $\varepsilon$ error in 1-Wasserstein distance, where $k$ is the intrinsic dimension. This near-optimal convergence rate depends only on the intrinsic dimension and significantly improves upon prior theoretical guarantees that suffer from the curse of dimensionality. Notably, our analysis applies to a broad collection of distributions without imposing smoothness, bounded-density, or log-concavity assumptions. Overall, our results show that diffusion models can statistically adapt to intrinsic low-dimensional structure while naturally accommodating multi-modal data, offering a rigorous theoretical justification for their success in complex high-dimensional learning tasks.

The design space of agentic AI inference spans two extremes: frontier large language models (LLMs), typically hosted in the cloud and offering strong performance across a wide range of tasks at substantially high cost, and more cost-efficient small language models (SLMs), which are amenable to on-device inference. Hybrid multi-agent systems (MASs) combining on-device and cloud models offer a promising middle ground, but they also introduce a complex and poorly understood design space in which task accuracy, monetary cost, and edge energy consumption are tightly coupled; in the absence of general design principles, hybrid components, although not the most prevalent choice, are typically introduced through ad hoc decisions tailored to specific domains. In this work, we examine this design space more systematically. We adapt two representative MAS architectures to support hybrid inference and study how individual design choices shift the operating point along the Pareto frontier of power, cost, and performance. Our findings paint a nuanced picture of hybrid MAS design: while SLMs can effectively benefit from LLM assistance, the optimal architecture is highly task-dependent, and greater frontier-level compute does not consistently translate to better performance.