The accurate prediction of RUL for lithium-ion batteries is crucial for enhancing the reliability and longevity of energy storage systems. Traditional methods for RUL prediction often struggle with issues such as data sparsity, varying battery chemistries, and the inability to capture complex degradation patterns over time. In this study, we propose a survival analysis-based framework combined with deep learning models to predict the RUL of lithium-ion batteries. Specifically, we utilize five advanced models: the Cox-type models (Cox, CoxPH, and CoxTime) and two machine-learning-based models (DeepHit and MTLR). These models address the challenges of accurate RUL estimation by transforming raw time-series battery data into survival data, including key degradation indicators such as voltage, current, and internal resistance. Advanced feature extraction techniques enhance the model's robustness in diverse real-world scenarios, including varying charging conditions and battery chemistries. Our models are tested using 10-fold cross-validation, ensuring generalizability and minimizing overfitting. Experimental results show that our survival-based framework significantly improves RUL prediction accuracy compared to traditional methods, providing a reliable tool for battery management and maintenance optimization. This study contributes to the advancement of predictive maintenance in battery technology, offering valuable insights for both researchers and industry practitioners aiming to enhance the operational lifespan of lithium-ion batteries.

Causal discovery aims to extract qualitative causal knowledge in the form of causal graphs from data. Because causal ground truth is rarely known in the real world, simulated data plays a vital role in evaluating the performance of the various causal discovery algorithms proposed in the literature. But recent work highlighted certain artifacts of commonly used data generation techniques for a standard class of structural causal models (SCM) that may be nonphysical, including var- and R2-sortability, where the variables' variance and coefficients of determination (R2) after regressing on all other variables, respectively, increase along the causal order. Some causal methods exploit such artifacts, leading to unrealistic expectations for their performance on real-world data. Some modifications have been proposed to remove these artifacts; notably, the internally-standardized structural causal model (iSCM) avoids varsortability and largely alleviates R2-sortability on sparse causal graphs, but exhibits a reversed R2-sortability pattern for denser graphs not featured in their work. We analyze which sortability patterns we expect to see in real data, and propose a method for drawing coefficients that we argue more effectively samples the space of SCMs. Finally, we propose a novel extension of our SCM generation method to the time series setting.

We propose an efficient fine-tuning method for time series foundation models, termed TRACE: Time Series Parameter Efficient Fine-tuning. While pretrained time series foundation models are gaining popularity, they face the following challenges: (1) Unlike natural language tasks, time series data vary in frequency, channel numbers, historical/prediction lengths. For long-term forecasting tasks in particular, tailored fine-tuning can significantly enhance performance.(2) Existing parameter-efficient tuning methods like LoRA remain applicable but require adaptation to temporal characteristics. To address these challenges, our TRACE framework introduces two key innovations: (1) Gated DSIC (Gated Dynamic Simulation Importance Calculation), an unbiased LoRA module importance selection mechanism that ensures conditional parameter consistency before and after masking. Experiments demonstrate that Gated DSIC outperforms common fine-tuning. (2) Reconstructed prediction heads for long-term forecasting tasks, which achieve comparable or superior performance to linear probing heads while drastically reducing parameter counts. Extensive experiments on long-/short-term forecasting and anomaly detection tasks across diverse datasets, coupled with ablation studies, validate the effectiveness of our method.

Decision-making processes in healthcare can be highly complex and challenging. Machine Learning tools offer significant potential to assist in these processes. However, many current methodologies rely on complex models that are not easily interpretable by experts. This underscores the need to develop interpretable models that can provide meaningful support in clinical decision-making. When approaching such tasks, humans typically compare the situation at hand to a few key examples and representative cases imprinted in their memory. Using an approach which selects such exemplary cases and grounds its predictions on them could contribute to obtaining high-performing interpretable solutions to such problems. To this end, we evaluate PivotTree, an interpretable prototype selection model, on an oral lesion detection problem, specifically trying to detect the presence of neoplastic, aphthous and traumatic ulcerated lesions from oral cavity images. We demonstrate the efficacy of using such method in terms of performance and offer a qualitative and quantitative comparison between exemplary cases and ground-truth prototypes selected by experts.

Predicting air traffic congestion and flow management is essential for airlines and Air Navigation Service Providers (ANSP) to enhance operational efficiency. Accurate estimates of future airport capacity and airspace density are vital for better airspace management, reducing air traffic controller workload and fuel consumption, ultimately promoting sustainable aviation. While existing literature has addressed these challenges, data management and query processing remain complex due to the vast volume of high-rate air traffic data. Many analytics use cases require a common pre-processing infrastructure, as ad-hoc approaches are insufficient. Additionally, linear prediction models often fall short, necessitating more advanced techniques. This paper presents a data processing and predictive services architecture that ingests large, uncorrelated, and noisy streaming data to forecast future airspace system states. The system continuously collects raw data, periodically compresses it, and stores it in NoSQL databases for efficient query processing. For prediction, the system learns from historical traffic by extracting key features such as airport arrival and departure events, sector boundary crossings, weather parameters, and other air traffic data. These features are input into various regression models, including linear, non-linear, and ensemble models, with the best-performing model selected for predictions. We evaluate this infrastructure across three prediction use cases in the US National Airspace System (NAS) and a segment of European airspace, using extensive real operations data, confirming that our system can predict future system states efficiently and accurately.

Ensuring trustworthiness in machine learning (ML) systems is crucial as they become increasingly embedded in high-stakes domains. This paper advocates for integrating causal methods into machine learning to navigate the trade-offs among key principles of trustworthy ML, including fairness, privacy, robustness, accuracy, and explainability. While these objectives should ideally be satisfied simultaneously, they are often addressed in isolation, leading to conflicts and suboptimal solutions. Drawing on existing applications of causality in ML that successfully align goals such as fairness and accuracy or privacy and robustness, this paper argues that a causal approach is essential for balancing multiple competing objectives in both trustworthy ML and foundation models. Beyond highlighting these trade-offs, we examine how causality can be practically integrated into ML and foundation models, offering solutions to enhance their reliability and interpretability. Finally, we discuss the challenges, limitations, and opportunities in adopting causal frameworks, paving the way for more accountable and ethically sound AI systems.

The linear regression (LR) method offers the advantage that optimal parameters can be calculated relatively easily, although its representation capability is limited than that of the deep learning technique. To improve deep reinforcement learning, the Least Squares Deep Q Network (LS-DQN) method was proposed by Levine et al., which combines Deep Q Network (DQN) with LR method. However, the LS-DQN method assumes that the actions are discrete. In this study, we propose the Double Least Squares Deep Deterministic Policy Gradient (DLS-DDPG) method to address this limitation. This method combines the LR method with the Deep Deterministic Policy Gradient (DDPG) technique, one of the representative deep reinforcement learning algorithms for continuous action cases. Numerical experiments conducted in MuJoCo environments showed that the LR update improved performance at least in some tasks, although there are difficulties such as the inability to make the regularization terms small.

Offline optimization is a fundamental challenge in science and engineering, where the goal is to optimize black-box functions using only offline datasets. This setting is particularly relevant when querying the objective function is prohibitively expensive or infeasible, with applications spanning protein engineering, material discovery, neural architecture search, and beyond. The main difficulty lies in accurately estimating the objective landscape beyond the available data, where extrapolations are fraught with significant epistemic uncertainty. This uncertainty can lead to objective hacking(reward hacking), exploiting model inaccuracies in unseen regions, or other spurious optimizations that yield misleadingly high performance estimates outside the training distribution. Recent advances in model-based optimization(MBO) have harnessed the generalization capabilities of deep neural networks to develop offline-specific surrogate and generative models. Trained with carefully designed strategies, these models are more robust against out-of-distribution issues, facilitating the discovery of improved designs. Despite its growing impact in accelerating scientific discovery, the field lacks a comprehensive review. To bridge this gap, we present the first thorough review of offline MBO. We begin by formalizing the problem for both single-objective and multi-objective settings and by reviewing recent benchmarks and evaluation metrics. We then categorize existing approaches into two key areas: surrogate modeling, which emphasizes accurate function approximation in out-of-distribution regions, and generative modeling, which explores high-dimensional design spaces to identify high-performing designs. Finally, we examine the key challenges and propose promising directions for advancement in this rapidly evolving field including safe control of superintelligent systems.

The search for exoplanets is an active field in astronomy, with direct imaging as one of the most challenging methods due to faint exoplanet signals buried within stronger residual starlight. Successful detection requires advanced image processing to separate the exoplanet signal from this nuisance component. This paper presents a novel statistical model that captures nuisance fluctuations using a multi-scale approach, leveraging problem symmetries and a joint spectral channel representation grounded in physical principles. Our model integrates into an interpretable, end-to-end learnable framework for simultaneous exoplanet detection and flux estimation. The proposed algorithm is evaluated against the state of the art using datasets from the SPHERE instrument operating at the Very Large Telescope (VLT). It significantly improves the precision-recall trade-off, notably on challenging datasets that are otherwise unusable by astronomers. The proposed approach is computationally efficient, robust to varying data quality, and well suited for large-scale observational surveys.

Flow matching in the continuous simplex has emerged as a promising strategy for DNA sequence design, but struggles to scale to higher simplex dimensions required for peptide and protein generation. We introduce Gumbel-Softmax Flow and Score Matching, a generative framework on the simplex based on a novel Gumbel-Softmax interpolant with a time-dependent temperature. Using this interpolant, we introduce Gumbel-Softmax Flow Matching by deriving a parameterized velocity field that transports from smooth categorical distributions to distributions concentrated at a single vertex of the simplex. We alternatively present Gumbel-Softmax Score Matching which learns to regress the gradient of the probability density. Our framework enables high-quality, diverse generation and scales efficiently to higher-dimensional simplices. To enable training-free guidance, we propose Straight-Through Guided Flows (STGFlow), a classifier-based guidance method that leverages straight-through estimators to steer the unconditional velocity field toward optimal vertices of the simplex. STGFlow enables efficient inference-time guidance using classifiers pre-trained on clean sequences, and can be used with any discrete flow method. Together, these components form a robust framework for controllable de novo sequence generation. We demonstrate state-of-the-art performance in conditional DNA promoter design, sequence-only protein generation, and target-binding peptide design for rare disease treatment.