As generative models are advancing in quality and quantity for creating synthetic content, deepfakes begin to cause online mistrust. Deepfake detectors are proposed to counter this effect, however, misuse of detectors claiming fake content as real or vice versa further fuels this misinformation problem. We present the first comprehensive uncertainty analysis of deepfake detectors, systematically investigating how generative artifacts influence prediction confidence. As reflected in detectors' responses, deepfake generators also contribute to this uncertainty as their generative residues vary, so we cross the uncertainty analysis of deepfake detectors and generators. Based on our observations, the uncertainty manifold holds enough consistent information to leverage uncertainty for deepfake source detection. Our approach leverages Bayesian Neural Networks and Monte Carlo dropout to quantify both aleatoric and epistemic uncertainties across diverse detector architectures. We evaluate uncertainty on two datasets with nine generators, with four blind and two biological detectors, compare different uncertainty methods, explore region- and pixel-based uncertainty, and conduct ablation studies. We conduct and analyze binary real/fake, multi-class real/fake, source detection, and leave-one-out experiments between the generator/detector combinations to share their generalization capability, model calibration, uncertainty, and robustness against adversarial attacks. We further introduce uncertainty maps that localize prediction confidence at the pixel level, revealing distinct patterns correlated with generator-specific artifacts. Our analysis provides critical insights for deploying reliable deepfake detection systems and establishes uncertainty quantification as a fundamental requirement for trustworthy synthetic media detection.

Online artificial intelligence (AI) algorithms are an important component of digital health interventions. These online algorithms are designed to continually learn and improve their performance as streaming data is collected on individuals. Deploying online AI presents a key challenge: balancing adaptability of online AI with reproducibility. Online AI in digital interventions is a rapidly evolving area, driven by advances in algorithms, sensors, software, and devices. Digital health intervention development and deployment is a continuous process, where implementation - including the AI decision-making algorithm - is interspersed with cycles of re-development and optimization. Each deployment informs the next, making iterative deployment a defining characteristic of this field. This iterative nature underscores the importance of reproducibility: data collected across deployments must be accurately stored to have scientific utility, algorithm behavior must be auditable, and results must be comparable over time to facilitate scientific discovery and trustworthy refinement. This paper proposes a reproducible scientific workflow for developing, deploying, and analyzing online AI decision-making algorithms in digital health interventions. Grounded in practical experience from multiple real-world deployments, this workflow addresses key challenges to reproducibility across all phases of the online AI algorithm development life-cycle.

Federated Learning (FL) presents significant potential for collaborative optimization without data sharing. Since synthetic data is sent to the server, leveraging the popular concept of dataset distillation, this FL framework protects real data privacy while alleviating data heterogeneity. However, such methods are still challenged by the redundant information and noise in entire spatial-domain designs, which inevitably increases the communication burden. In this paper, we propose a novel Frequency-Domain aware FL method with high-energy concentration (FedFD) to address this problem. Our FedFD is inspired by the discovery that the discrete cosine transform predominantly distributes energy to specific regions, referred to as high-energy concentration. The principle behind FedFD is that low-energy like high-frequency components usually contain redundant information and noise, thus filtering them helps reduce communication costs and optimize performance. Our FedFD is mathematically formulated to preserve the low-frequency components using a binary mask, facilitating an optimal solution through frequency-domain distribution alignment. In particular, real data-driven synthetic classification is imposed into the loss to enhance the quality of the low-frequency components. On five image and speech datasets, FedFD achieves superior performance than state-of-the-art methods while reducing communication costs. For example, on the CIFAR-10 dataset with Dirichlet coefficient $α= 0.01$, FedFD achieves a minimum reduction of 37.78\% in the communication cost, while attaining a 10.88\% performance gain.

Data loaders are used by Machine Learning (ML) frameworks like PyTorch and TensorFlow to apply transformations to data before feeding it into the accelerator. This operation is called data preprocessing. Data preprocessing plays an important role in the ML training workflow because if it is inefficiently pipelined with the training, it can yield high GPU idleness, resulting in important training delays. Unfortunately, existing data loaders turn out to waste GPU resources, with $76\%$ GPU idleness when using the PyTorch data loader, for example. One key source of inefficiency is the variability in preprocessing time across samples within the same dataset. Existing data loaders are oblivious to this variability, and they construct batches without any consideration of slow or fast samples. In this case, the entire batch is delayed by a single slow sample, stalling the training pipeline and resulting in head-of-line blocking. To address these inefficiencies, we present MinatoLoader, a general-purpose data loader for PyTorch that accelerates training and improves GPU utilization. MinatoLoader is designed for a single-server setup, containing multiple GPUs. It continuously prepares data in the background and actively constructs batches by prioritizing fast-to-preprocess samples, while slower samples are processed in parallel. We evaluate MinatoLoader on servers with V100 and A100 GPUs. On a machine with four A100 GPUs, MinatoLoader improves the training time of a wide range of workloads by up to $7.5\times$ ($3.6\times$ on average) over PyTorch DataLoader and Pecan, and up to $3\times$ ($2.2\times$ on average) over DALI. It also increases average GPU utilization from 46.4\% with PyTorch to 90.45\%, while preserving model accuracy and enabling faster convergence.

Understanding causal heterogeneity is essential for scientific discovery in domains such as biology and medicine. However, existing methods lack causal awareness, with insufficient modeling of heterogeneity, confounding, and observational constraints, leading to poor interpretability and difficulty distinguishing true causal heterogeneity from spurious associations. We propose an unsupervised framework, HCL (Interpretable Causal Mechanism-Aware Clustering with Adaptive Heterogeneous Causal Structure Learning), that jointly infers latent clusters and their associated causal structures from mixed-type observational data without requiring temporal ordering, environment labels, interventions or other prior knowledge. HCL relaxes the homogeneity and sufficiency assumptions by introducing an equivalent representation that encodes both structural heterogeneity and confounding. It further develops a bi-directional iterative strategy to alternately refine causal clustering and structure learning, along with a self-supervised regularization that balance cross-cluster universality and specificity. Together, these components enable convergence toward interpretable, heterogeneous causal patterns. Theoretically, we show identifiability of heterogeneous causal structures under mild conditions. Empirically, HCL achieves superior performance in both clustering and structure learning tasks, and recovers biologically meaningful mechanisms in real-world single-cell perturbation data, demonstrating its utility for discovering interpretable, mechanism-level causal heterogeneity.

Large Language Models (LLMs) have shown growing potential in molecular sciences, but they often produce chemically inaccurate descriptions and struggle to recognize or justify potential errors. This raises important concerns about their robustness and reliability in scientific applications. To support more rigorous evaluation of LLMs in chemical reasoning, we present the MolErr2Fix benchmark, designed to assess LLMs on error detection and correction in molecular descriptions. Unlike existing benchmarks focused on molecule-to-text generation or property prediction, MolErr2Fix emphasizes fine-grained chemical understanding. It tasks LLMs with identifying, localizing, explaining, and revising potential structural and semantic errors in molecular descriptions. Specifically, MolErr2Fix consists of 1,193 fine-grained annotated error instances. Each instance contains quadruple annotations, i.e,. (error type, span location, the explanation, and the correction). These tasks are intended to reflect the types of reasoning and verification required in real-world chemical communication. Evaluations of current state-of-the-art LLMs reveal notable performance gaps, underscoring the need for more robust chemical reasoning capabilities. MolErr2Fix provides a focused benchmark for evaluating such capabilities and aims to support progress toward more reliable and chemically informed language models. All annotations and an accompanying evaluation API will be publicly released to facilitate future research.

In this paper we present a variational algorithm for the Traveling Salesman Problem (TSP) that combines (i) a compact encoding of permutations, which reduces the qubit requirement too, (ii) an optimize-freeze-reuse strategy: where the circuit topology (``Ansatz'') is first optimized on a training instance by Simulated Annealing (SA), then ``frozen'' and re-used on novel instances, limited to a rapid re-optimization of only the circuit parameters. This pipeline eliminates costly structural research in testing, making the procedure immediately implementable on NISQ hardware. On a set of $40$ randomly generated symmetric instances that span $4 - 7$ cities, the resulting Ansatz achieves an average optimal trip sampling probability of $100\%$ for 4 city cases, $90\%$ for 5 city cases and $80\%$ for 6 city cases. With 7 cities the success rate drops markedly to an average of $\sim 20\%$, revealing the onset of scalability limitations of the proposed method. The results show robust generalization ability for moderate problem sizes and indicate how freezing the Ansatz can dramatically reduce time-to-solution without degrading solution quality. The paper also discusses scalability limitations, the impact of ``warm-start'' initialization of parameters, and prospects for extension to more complex problems, such as Vehicle Routing and Job-Shop Scheduling.

The cloze test, widely used due to its low cost and flexibility, makes it possible to assess reading comprehension by filling in gaps in texts, requiring the mobilization of diverse linguistic repertoires. However, traditional correction methods, based only on exact answers, limit the identification of nuances in student performance. This study proposes an automated evaluation model for the cloze test in Brazilian Portuguese, integrating orthographic (edit distance), grammatical (POS tagging) and semantic (similarity between embeddings) analyses. The integrated method demonstrated its effectiveness, achieving a high correlation with human evaluation (0.832). The results indicate that the automated approach is robust, sensitive to variations in linguistic repertoire and suitable for educational contexts that require scalability.

Location-tracking data from the Automatic Identification System, much of which is publicly available, plays a key role in a range of maritime safety and monitoring applications. However, the data suffers from missing values that hamper downstream applications. Imputing the missing values is challenging because the values of different heterogeneous attributes are updated at diverse rates, resulting in the occurrence of multi-scale dependencies among attributes. Existing imputation methods that assume similar update rates across attributes are unable to capture and exploit such dependencies, limiting their imputation accuracy. We propose MH-GIN, a Multi-scale Heterogeneous Graph-based Imputation Network that aims improve imputation accuracy by capturing multi-scale dependencies. Specifically, MH-GIN first extracts multi-scale temporal features for each attribute while preserving their intrinsic heterogeneous characteristics. Then, it constructs a multi-scale heterogeneous graph to explicitly model dependencies between heterogeneous attributes to enable more accurate imputation of missing values through graph propagation. Experimental results on two real-world datasets find that MH-GIN is capable of an average 57% reduction in imputation errors compared to state-of-the-art methods, while maintaining computational efficiency. The source code and implementation details of MH-GIN are publicly available https://github.com/hyLiu1994/MH-GIN.

Deep learning models struggle with systematic compositional generalization, a hallmark of human cognition. We propose \textsc{Mirage}, a neuro-inspired dual-process model that offers a processing account for this ability. It combines a fast, intuitive ``System~1'' (a meta-trained Transformer) with a deliberate, rule-based ``System~2'' (a Schema Engine), mirroring the brain's neocortical and hippocampal--prefrontal circuits. Trained to perform general, single-step decomposition on a stream of random grammars, Mirage achieves $>$99\% accuracy on all splits of the SCAN benchmark in a task-agnostic setting. Ablations confirm that the model's systematic behavior emerges from the architectural interplay of its two systems, particularly its use of explicit, prioritized schemas and iterative refinement. In line with recent progress on recursive/recurrent Transformer approaches, Mirage preserves an iterative neural update while externalizing declarative control into an interpretable schema module. Our work provides a concrete computational model for interpreting how compositional reasoning can arise from a modular cognitive architecture.