Machine learning aims to generalize models trained on given datasets to make accurate predictions or decisions on new, unseen data (El Naqa and Murphy, 2015). The effectiveness of those models depends on the alignment between the training datasets and deployment environments (Quinonero-Candela et al.,2008).

Fatigue life prediction is essential in both the design and operational phases of any aircraft, and in this sense safety in the aerospace industry requires early detection of fatigue cracks to prevent in-flight failures. Robust and precise fatigue life predictors are thus essential to ensure safety. Traditional engineering methods, while reliable, are time consuming and involve complex workflows, including steps such as conducting several Finite Element Method (FEM) simulations, deriving the expected loading spectrum, and applying cycle counting techniques like peak-valley or rainflow counting. These steps often require collaboration between multiple teams and tools, added to the computational time and effort required to achieve fatigue life predictions. Machine learning (ML) offers a promising complement to traditional fatigue life estimation methods, enabling faster iterations and generalization, providing quick estimates that guide decisions alongside conventional simulations. In this paper, we present a ML-based pipeline that aims to estimate the fatigue life of different aircraft wing locations given the flight parameters of the different missions that the aircraft will be operating throughout its operational life. We validate the pipeline in a realistic use case of fatigue life estimation, yielding accurate predictions alongside a thorough statistical validation and uncertainty quantification. Our pipeline constitutes a complement to traditional methodologies by reducing the amount of costly simulations and, thereby, lowering the required computational and human resources.

Graph Transformers (GTs) have demonstrated great effectiveness across various graph analytical tasks. However, the existing GTs focus on training and testing graph data originated from the same distribution, but fail to generalize under distribution shifts. Graph invariant learning, aiming to capture generalizable graph structural patterns with labels under distribution shifts, is potentially a promising solution, but how to design attention mechanisms and positional and structural encodings (PSEs) based on graph invariant learning principles remains challenging. To solve these challenges, we introduce Graph Out-Of-Distribution generalized Transformer (GOODFormer), aiming to learn generalized graph representations by capturing invariant relationships between predictive graph structures and labels through jointly optimizing three modules. Specifically, we first develop a GT-based entropy-guided invariant subgraph disentangler to separate invariant and variant subgraphs while preserving the sharpness of the attention function. Next, we design an evolving subgraph positional and structural encoder to effectively and efficiently capture the encoding information of dynamically changing subgraphs during training. Finally, we propose an invariant learning module utilizing subgraph node representations and encodings to derive generalizable graph representations that can to unseen graphs. We also provide theoretical justifications for our method. Extensive experiments on benchmark datasets demonstrate the superiority of our method over state-of-the-art baselines under distribution shifts.

Linear attention has emerged as a viable alternative to softmax attention by reducing complexity from quadratic to linear in sequence length. To preserve two fundamental properties of softmax, non-negativity and entropy reduction, current works employ various linearly separatable kernel functions with $L1$ normalization instead of softmax operator. However, query norms are neglected by the normalization operation in linear attention, such degradation heavily leads to an entropy gap. Meanwhile, existing works inhibit negative values of query and key vectors resulting in a missing inner-product interactions after being mapped. To address these dual challenges, we propose a novel Norm-Aware Linear Attention mechanism serving to restore norm-guided dynamic spikiness and recover kernel-perturbed norm distributions. Specifically, we first decouple query and key matrices into two components: norm and direction, to achieve norm-aware spikiness control and norm consistency, respectively. We mathematically reveal that the extent of entropy reduction varies with the query norm in softmax normalization, motivating a query-norm aware kernel function for dynamic control over entropy reduction. Furthermore, to ensure norm consistency and enforce non-negativity constraints, we employ a norm-preserving mapping to project all elements of the angular matrix into positive values, leveraging cosine similarity to inhibit dimensions with opposite directions. We conduct extensive experiments demonstrating that the NaLaFormer improves performance on vision and language tasks, enhancing both expressiveness and efficiency by up to 4.2\%.

Self-supervised learning (SSL) models have significantly advanced speech processing tasks, and several benchmarks have been proposed to validate their effectiveness. However, previous benchmarks have primarily focused on single-speaker scenarios, with less exploration of target-speaker tasks in noisy, multi-talker conditions -- a more challenging yet practical case. In this paper, we introduce the Target-Speaker Speech Processing Universal Performance Benchmark (TS-SUPERB), which includes four widely recognized target-speaker processing tasks that require identifying the target speaker and extracting information from the speech mixture. In our benchmark, the speaker embedding extracted from enrollment speech is used as a clue to condition downstream models. The benchmark result reveals the importance of evaluating SSL models in target speaker scenarios, demonstrating that performance cannot be easily inferred from related single-speaker tasks. Moreover, by using a unified SSL-based target speech encoder, consisting of a speaker encoder and an extractor module, we also investigate joint optimization across TS tasks to leverage mutual information and demonstrate its effectiveness.

Recent advancements in large-scale pre-training have shown the potential to learn generalizable representations for downstream tasks. In the graph domain, however, capturing and transferring structural information across different graph domains remains challenging, primarily due to the inherent differences in topological patterns across various contexts. Additionally, most existing models struggle to capture the complexity of rich graph structures, leading to inadequate exploration of the embedding space. To address these challenges, we propose GFSE, a universal graph structural encoder designed to capture transferable structural patterns across diverse domains such as molecular graphs, social networks, and citation networks. GFSE is the first cross-domain graph structural encoder pre-trained with multiple self-supervised learning objectives. Built on a Graph Transformer, GFSE incorporates attention mechanisms informed by graph inductive bias, enabling it to encode intricate multi-level and fine-grained topological features. The pre-trained GFSE produces generic and theoretically expressive positional and structural encoding for graphs, which can be seamlessly integrated with various downstream graph feature encoders, including graph neural networks for vectorized features and Large Language Models for text-attributed graphs. Comprehensive experiments on synthetic and real-world datasets demonstrate GFSE's capability to significantly enhance the model's performance while requiring substantially less task-specific fine-tuning. Notably, GFSE achieves state-of-the-art performance in 81.6% evaluated cases, spanning diverse graph models and datasets, highlighting its potential as a powerful and versatile encoder for graph-structured data.

Quantitative information flow analyses (QIF) are a class of techniques for measuring the amount of confidential information leaked by a program to its public outputs. Shannon entropy is an important method to quantify the amount of leakage in QIF. This paper focuses on the programs modeled in Boolean constraints and optimizes the two stages of the Shannon entropy computation to implement a scalable precise tool PSE. In the first stage, we design a knowledge compilation language called \ADDAND that combines Algebraic Decision Diagrams and conjunctive decomposition. \ADDAND avoids enumerating possible outputs of a program and supports tractable entropy computation. In the second stage, we optimize the model counting queries that are used to compute the probabilities of outputs. We compare PSE with the state-of-the-art probably approximately correct tool EntropyEstimation, which was shown to significantly outperform the existing precise tools. The experimental results demonstrate that PSE solved 55 more benchmarks compared to EntropyEstimation in a total of 441. For 98% of the benchmarks that both PSE and EntropyEstimation solved, PSE is at least $10\times$ as efficient as EntropyEstimation.

A site's recommendation system relies on knowledge of its users' preferences to offer relevant recommendations to them. These preferences are for attributes that comprise items and content shown on the site, and are estimated from the data of users' interactions with the site. Another form of users' preferences is material too, namely, users' preferences for the site over other sites, since that shows users' base level propensities to engage with the site. Estimating users' preferences for the site, however, faces major obstacles because (a) the focal site usually has no data of its users' interactions with other sites; these interactions are users' unobserved behaviors for the focal site; and (b) the Machine Learning literature in recommendation does not offer a model of this situation. Even if (b) is resolved, the problem in (a) persists since without access to data of its users' interactions with other sites, there is no ground truth for evaluation. Moreover, it is most useful when (c) users' preferences for the site can be estimated at the individual level, since the site can then personalize recommendations to individual users. We offer a method to estimate individual user's preference for a focal site, under this premise. In particular, we compute the focal site's share of a user's online engagements without any data from other sites. We show an evaluation framework for the model using only the focal site's data, allowing the site to test the model. We rely upon a Hierarchical Bayes Method and perform estimation in two different ways - Markov Chain Monte Carlo and Stochastic Gradient with Langevin Dynamics. Our results find good support for the approach to computing personalized share of engagement and for its evaluation.

In both industrial and service domains, a central benefit of the use of robots is their ability to quickly and reliably execute repetitive tasks. However, even relatively simple peg-in-hole tasks are typically subject to stochastic variations, requiring search motions to find relevant features such as holes. While search improves robustness, it comes at the cost of increased runtime: More exhaustive search will maximize the probability of successfully executing a given task, but will significantly delay any downstream tasks. This trade-off is typically resolved by human experts according to simple heuristics, which are rarely optimal. This paper introduces an automatic, data-driven and heuristic-free approach to optimize robot search strategies. By training a neural model of the search strategy on a large set of simulated stochastic environments, conditioning it on few real-world examples and inverting the model, we can infer search strategies which adapt to the time-variant characteristics of the underlying probability distributions, while requiring very few real-world measurements. We evaluate our approach on two different industrial robots in the context of spiral and probe search for THT electronics assembly.