Data visualizations are powerful tools for communicating patterns in quantitative data. Yet understanding any data visualization is no small feat -- succeeding requires jointly making sense of visual, numerical, and linguistic inputs arranged in a conventionalized format one has previously learned to parse. Recently developed vision-language models are, in principle, promising candidates for developing computational models of these cognitive operations. However, it is currently unclear to what degree these models emulate human behavior on tasks that involve reasoning about data visualizations. This gap reflects limitations in prior work that has evaluated data visualization understanding in artificial systems using measures that differ from those typically used to assess these abilities in humans. Here we evaluated eight vision-language models on six data visualization literacy assessments designed for humans and compared model responses to those of human participants. We found that these models performed worse than human participants on average, and this performance gap persisted even when using relatively lenient criteria to assess model performance. Moreover, while relative performance across items was somewhat correlated between models and humans, all models produced patterns of errors that were reliably distinct from those produced by human participants. Taken together, these findings suggest significant opportunities for further development of artificial systems that might serve as useful models of how humans reason about data visualizations. All code and data needed to reproduce these results are available at: https://osf.io/e25mu/?view_only=399daff5a14d4b16b09473cf19043f18.

Peptide compounds demonstrate considerable potential as therapeutic agents due to their high target affinity and low toxicity, yet their drug development is constrained by their low membrane permeability. Molecular weight and peptide length have significant effects on the logD of peptides, which in turn influences their ability to cross biological membranes. However, accurate prediction of peptide logD remains challenging due to the complex interplay between sequence, structure, and ionization states. This study introduces LengthLogD, a predictive framework that establishes specialized models through molecular length stratification while innovatively integrating multi-scale molecular representations. We constructed feature spaces across three hierarchical levels: atomic (10 molecular descriptors), structural (1024-bit Morgan fingerprints), and topological (3 graph-based features including Wiener index), optimized through stratified ensemble learning. An adaptive weight allocation mechanism specifically developed for long peptides significantly enhances model generalizability. Experimental results demonstrate superior performance across all categories: short peptides (R^2=0.855), medium peptides (R^2=0.816), and long peptides (R^2=0.882), with a 34.7% reduction in prediction error for long peptides compared to conventional single-model approaches. Ablation studies confirm: 1) The length-stratified strategy contributes 41.2% to performance improvement; 2) Topological features account for 28.5% of predictive importance. Compared to state-of-the-art models, our method maintains short peptide prediction accuracy while achieving a 25.7% increase in the coefficient of determination (R^2) for long peptides. This research provides a precise logD prediction tool for peptide drug development, particularly demonstrating unique value in optimizing long peptide lead compounds.

The ubiquity of social media platforms facilitates malicious linguistic steganography, posing significant security risks. Steganalysis is profoundly hindered by the challenge of identifying subtle cognitive inconsistencies arising from textual fragmentation and complex dialogue structures, and the difficulty in achieving robust aggregation of multi-dimensional weak signals, especially given extreme steganographic sparsity and sophisticated steganography. These core detection difficulties are compounded by significant data imbalance. This paper introduces GSDFuse, a novel method designed to systematically overcome these obstacles. GSDFuse employs a holistic approach, synergistically integrating hierarchical multi-modal feature engineering to capture diverse signals, strategic data augmentation to address sparsity, adaptive evidence fusion to intelligently aggregate weak signals, and discriminative embedding learning to enhance sensitivity to subtle inconsistencies. Experiments on social media datasets demonstrate GSDFuse's state-of-the-art (SOTA) performance in identifying sophisticated steganography within complex dialogue environments. The source code for GSDFuse is available at https://github.com/NebulaEmmaZh/GSDFuse.

Survival analysis, which estimates the probability of event occurrence over time from censored data, is fundamental in numerous real-world applications, particularly in high-stakes domains such as healthcare and risk assessment. Despite advances in numerous survival models, quantifying the uncertainty of predictions from these models remains underexplored and challenging. The lack of reliable uncertainty quantification limits the interpretability and trustworthiness of survival models, hindering their adoption in clinical decision-making and other sensitive applications. To bridge this gap, in this work, we introduce SurvUnc, a novel meta-model based framework for post-hoc uncertainty quantification for survival models. SurvUnc introduces an anchor-based learning strategy that integrates concordance knowledge into meta-model optimization, leveraging pairwise ranking performance to estimate uncertainty effectively. Notably, our framework is model-agnostic, ensuring compatibility with any survival model without requiring modifications to its architecture or access to its internal parameters. Especially, we design a comprehensive evaluation pipeline tailored to this critical yet overlooked problem. Through extensive experiments on four publicly available benchmarking datasets and five representative survival models, we demonstrate the superiority of SurvUnc across multiple evaluation scenarios, including selective prediction, misprediction detection, and out-of-domain detection. Our results highlight the effectiveness of SurvUnc in enhancing model interpretability and reliability, paving the way for more trustworthy survival predictions in real-world applications.

The composite current source (CCS) model has been adopted as an advanced timing model that represents the current behavior of cells for improved accuracy and better capability than traditional non-linear delay models (NLDM) to model complex dynamic effects and interactions under advanced process nodes. However, the high accuracy requirement, large amount of data and extensive simulation cost pose severe challenges to CCS characterization. To address these challenges, we introduce a novel Gaussian Process Regression(GPR) model with active learning(AL) to establish the characterization framework efficiently and accurately. Our approach significantly outperforms conventional commercial tools as well as learning based approaches by achieving an average absolute error of 2.05 ps and a relative error of 2.27% for current waveform of 57 cells under 9 process, voltage, temperature (PVT) corners with TSMC 22nm process. Additionally, our model drastically reduces the runtime to 27% and the storage by up to 19.5x compared with that required by commercial tools.

Despite the growing interest in Explainable Artificial Intelligence (XAI), explainability is rarely considered during hyperparameter tuning or neural architecture optimization, where the focus remains primarily on minimizing predictive loss. In this work, we introduce the novel concept of XAI consistency, defined as the agreement among different feature attribution methods, and propose new metrics to quantify it. For the first time, we integrate XAI consistency directly into the hyperparameter tuning objective, creating a multi-objective optimization framework that balances predictive performance with explanation robustness. Implemented within the Sequential Parameter Optimization Toolbox (SPOT), our approach uses both weighted aggregation and desirability-based strategies to guide model selection. Through our proposed framework and supporting tools, we explore the impact of incorporating XAI consistency into the optimization process. This enables us to characterize distinct regions in the architecture configuration space: one region with poor performance and comparatively low interpretability, another with strong predictive performance but weak interpretability due to low \gls{xai} consistency, and a trade-off region that balances both objectives by offering high interpretability alongside competitive performance. Beyond introducing this novel approach, our research provides a foundation for future investigations into whether models from the trade-off zone-balancing performance loss and XAI consistency-exhibit greater robustness by avoiding overfitting to training performance, thereby leading to more reliable predictions on out-of-distribution data.

We aim to approximate a continuously differentiable function $u:\mathbb{R}^d \rightarrow \mathbb{R}$ by a composition of functions $f\circ g$ where $g:\mathbb{R}^d \rightarrow \mathbb{R}^m$, $m\leq d$, and $f : \mathbb{R}^m \rightarrow \mathbb{R}$ are built in a two stage procedure. For a fixed $g$, we build $f$ using classical regression methods, involving evaluations of $u$. Recent works proposed to build a nonlinear $g$ by minimizing a loss function $\mathcal{J}(g)$ derived from Poincaré inequalities on manifolds, involving evaluations of the gradient of $u$. A problem is that minimizing $\mathcal{J}$ may be a challenging task. Hence in this work, we introduce new convex surrogates to $\mathcal{J}$. Leveraging concentration inequalities, we provide sub-optimality results for a class of functions $g$, including polynomials, and a wide class of input probability measures. We investigate performances on different benchmarks for various training sample sizes. We show that our approach outperforms standard iterative methods for minimizing the training Poincaré inequality based loss, often resulting in better approximation errors, especially for rather small training sets and $m=1$.

Modeling the joint distribution of data samples and their properties allows to construct a single model for both data generation and property prediction, with synergistic benefits reaching beyond purely generative or predictive models. However, training joint models presents daunting architectural and optimization challenges. Here, we propose Hyformer, a transformer-based joint model that successfully blends the generative and predictive functionalities, using an alternating attention mechanism and a joint pre-training scheme. We show that Hyformer is simultaneously optimized for molecule generation and property prediction, while exhibiting synergistic benefits in conditional sampling, out-of-distribution property prediction and representation learning. Finally, we demonstrate the benefits of joint learning in a drug design use case of discovering novel antimicrobial~peptides.

This paper presents an in-depth investigation of the effectiveness of dependency-based syntactic features on the irony detection task in a multilingual perspective (English, Spanish, French and Italian). It focuses on the contribution from syntactic knowledge, exploiting linguistic resources where syntax is annotated according to the Universal Dependencies scheme. Three distinct experimental settings are provided. In the first, a variety of syntactic dependency-based features combined with classical machine learning classifiers are explored. In the second scenario, two well-known types of word embeddings are trained on parsed data and tested against gold standard datasets. In the third setting, dependency-based syntactic features are combined into the Multilingual BERT architecture. The results suggest that fine-grained dependency-based syntactic information is informative for the detection of irony.

We propose a general framework for conditional sampling in PDE-based inverse problems, targeting the recovery of whole solutions from extremely sparse or noisy measurements. This is accomplished by a function-space diffusion model and plug-and-play guidance for conditioning. Our method first trains an unconditional discretization-agnostic denoising model using neural operator architectures. At inference, we refine the samples to satisfy sparse observation data via a gradient-based guidance mechanism. Through rigorous mathematical analysis, we extend Tweedie's formula to infinite-dimensional Hilbert spaces, providing the theoretical foundation for our posterior sampling approach. Our method (FunDPS) accurately captures posterior distributions in function spaces under minimal supervision and severe data scarcity. Across five PDE tasks with only 3% observation, our method achieves an average 32% accuracy improvement over state-of-the-art fixed-resolution diffusion baselines while reducing sampling steps by 4x. Furthermore, multi-resolution fine-tuning ensures strong cross-resolution generalizability. To the best of our knowledge, this is the first diffusion-based framework to operate independently of discretization, offering a practical and flexible solution for forward and inverse problems in the context of PDEs. Code is available at https://github.com/neuraloperator/FunDPS