The Fisher Information Matrix (FIM) provides a way for quantifying the information content of an observable random variable concerning unknown parameters within a model that characterizes the variable. When parameters in a model are directly linked to individual features, the diagonal elements of the FIM can signify the relative importance of each feature. However, in scenarios where feature interactions may exist, a comprehensive exploration of the full FIM is necessary rather than focusing solely on its diagonal elements. This paper presents an end-to-end black box system identification approach that integrates the FIM into the training process to gain insights into dynamic importance and overall model structure. A decision module is added to the first layer of the network to determine the relevance scores using the entire FIM as input. The forward propagation is then performed on element-wise multiplication of inputs and relevance scores. Simulation results demonstrate that the proposed methodology effectively captures various types of interactions between dynamics, outperforming existing methods limited to polynomial interactions. Moreover, the effectiveness of this novel approach is confirmed through its application in identifying a real-world industrial system, specifically the PH neutralization process.

The selection of the most appropriate algorithm to solve a given problem instance, known as algorithm selection, is driven by the potential to capitalize on the complementary performance of different algorithms across sets of problem instances. However, determining the optimal algorithm for an unseen problem instance has been shown to be a challenging task, which has garnered significant attention from researchers in recent years. In this survey, we conduct an overview of the key contributions to algorithm selection in the field of single-objective continuous black-box optimization. We present ongoing work in representation learning of meta-features for optimization problem instances, algorithm instances, and their interactions. We also study machine learning models for automated algorithm selection, configuration, and performance prediction. Through this analysis, we identify gaps in the state of the art, based on which we present ideas for further development of meta-feature representations.

Root cause analysis (RCA) is crucial for enhancing the reliability and performance of complex systems. However, progress in this field has been hindered by the lack of large-scale, open-source datasets tailored for RCA. To bridge this gap, we introduce LEMMA-RCA, a large dataset designed for diverse RCA tasks across multiple domains and modalities. LEMMA-RCA features various real-world fault scenarios from IT and OT operation systems, encompassing microservices, water distribution, and water treatment systems, with hundreds of system entities involved. We evaluate the quality of LEMMA-RCA by testing the performance of eight baseline methods on this dataset under various settings, including offline and online modes as well as single and multiple modalities. Our experimental results demonstrate the high quality of LEMMA-RCA. The dataset is publicly available at https://lemma-rca.github.io/.

We develop a method to generate prediction sets with a guaranteed coverage rate that is robust to corruptions in the training data, such as missing or noisy variables. Our approach builds on conformal prediction, a powerful framework to construct prediction sets that are valid under the i.i.d assumption. Importantly, naively applying conformal prediction does not provide reliable predictions in this setting, due to the distribution shift induced by the corruptions. To account for the distribution shift, we assume access to privileged information (PI). The PI is formulated as additional features that explain the distribution shift, however, they are only available during training and absent at test time. We approach this problem by introducing a novel generalization of weighted conformal prediction and support our method with theoretical coverage guarantees. Empirical experiments on both real and synthetic datasets indicate that our approach achieves a valid coverage rate and constructs more informative predictions compared to existing methods, which are not supported by theoretical guarantees.

Domain generalization (DG) aims to train a model from limited source domains, allowing it to generalize to unknown target domains. Typically, DG models only employ large-scale pre-trained models during the initialization of fine-tuning. However, large-scale pre-trained models already possess the ability to resist domain shift. If we reference pre-trained models continuously during fine-tuning to maintain this ability, it could further enhance the generalization ability of the DG model. For this purpose, we introduce a new method called Fine-Tune with Large-scale pre-trained Priors (FT-LP), which incorporates the pre-trained model as a prior into the DG fine-tuning process, ensuring that the model refers to its pre-trained model at each optimization step. FT-LP comprises a theoretical framework and a simple implementation strategy. In theory, we verify the rationality of FT-LP by introducing a generalization error bound with the pre-trained priors for DG. In implementation, we utilize an encoder to simulate the model distribution, enabling the use of FT-LP when only pre-trained weights are available. In summary, we offer a new fine-tuning method for DG algorithms to utilize pre-trained models throughout the fine-tuning process. Through experiments on various datasets and DG models, our proposed method exhibits significant improvements, indicating its effectiveness.

Domain generalization aims to develop a model that can perform well on unseen target domains by learning from multiple source domains. However, recent-proposed domain generalization models usually rely on domain labels, which may not be available in many real-world scenarios. To address this challenge, we propose a Discriminant Risk Minimization (DRM) theory and the corresponding algorithm to capture the invariant features without domain labels. In DRM theory, we prove that reducing the discrepancy of prediction distribution between overall source domain and any subset of it can contribute to obtaining invariant features. To apply the DRM theory, we develop an algorithm which is composed of Bayesian inference and a new penalty termed as Categorical Discriminant Risk (CDR). In Bayesian inference, we transform the output of the model into a probability distribution to align with our theoretical assumptions. We adopt sliding update approach to approximate the overall prediction distribution of the model, which enables us to obtain CDR penalty. We also indicate the effectiveness of these components in finding invariant features. We evaluate our algorithm against various domain generalization methods on multiple real-world datasets, providing empirical support for our theory.

Interpretability is crucial for machine learning algorithms in high-stakes medical applications. However, high-performing neural networks typically cannot explain their predictions. Post-hoc explanation methods provide a way to understand neural networks but have been shown to suffer from conceptual problems. Moreover, current research largely focuses on providing local explanations for individual samples rather than global explanations for the model itself. In this paper, we propose Attri-Net, an inherently interpretable model for multi-label classification that provides local and global explanations. Attri-Net first counterfactually generates class-specific attribution maps to highlight the disease evidence, then performs classification with logistic regression classifiers based solely on the attribution maps. Local explanations for each prediction can be obtained by interpreting the attribution maps weighted by the classifiers' weights. Global explanation of whole model can be obtained by jointly considering learned average representations of the attribution maps for each class (called the class centers) and the weights of the linear classifiers. To ensure the model is ``right for the right reason", we further introduce a mechanism to guide the model's explanations to align with human knowledge. Our comprehensive evaluations show that Attri-Net can generate high-quality explanations consistent with clinical knowledge while not sacrificing classification performance.

Machine learning (ML) has revolutionized the digital transformation of technology valuation by predicting the value of patents with high accuracy. However, the lack of validation regarding the reliability of these models hinders experts from fully trusting the confidence of model predictions. To address this issue, we propose an analytical framework for reliable technology valuation using calibrated ML models, which provide robust confidence levels in model predictions. We extract quantitative patent indicators that represent various technology characteristics as input data, using the patent maintenance period as a proxy for technology values. Multiple ML models are developed to capture the nonlinear relationship between patent indicators and technology value. The reliability and accuracy of these models are evaluated, presenting a Pareto-front map where the expected calibration error, Matthews correlation coefficient and F1-scores are compared. After identifying the best-performing model, we apply SHapley Additive exPlanation (SHAP) analysis to pinpoint the most significant input features by confidence bin. Through a case study, we confirmed that the proposed approach offers a practical guideline for developing reliable and accurate ML-based technology valuation models, with significant implications for both academia and industry.

Current directed graph embedding methods build upon undirected techniques but often inadequately capture directed edge information, leading to challenges such as: (1) Suboptimal representations for nodes with low in/out-degrees, due to the insufficient neighbor interactions; (2) Limited inductive ability for representing new nodes post-training; (3) Narrow generalizability, as training is overly coupled with specific tasks. In response, we propose DUPLEX, an inductive framework for complex embeddings of directed graphs. It (1) leverages Hermitian adjacency matrix decomposition for comprehensive neighbor integration, (2) employs a dual GAT encoder for directional neighbor modeling, and (3) features two parameter-free decoders to decouple training from particular tasks. DUPLEX outperforms state-of-the-art models, especially for nodes with sparse connectivity, and demonstrates robust inductive capability and adaptability across various tasks. The code is available at https://github.com/alipay/DUPLEX.

The reuse of retired electric vehicle batteries in grid energy storage offers environmental and economic benefits. This study concentrates on health monitoring algorithms for retired batteries deployed in grid storage. Over 15 months of testing, we collect, analyze, and publicize a dataset of second-life batteries, implementing a cycling protocol simulating grid energy storage load profiles within a 3-4 V voltage window. Four machine-learning-based health estimation models, relying on online-accessible features and initial capacity, are compared, with the selected model achieving a mean absolute percentage error below 2.3% on test data. Additionally, an adaptive online health estimation algorithm is proposed by integrating a clustering-based method, thus limiting estimation errors during online deployment. These results showcase the feasibility of repurposing retired batteries for second-life applications. Based on obtained data and power demand, these second-life batteries exhibit potential for over a decade of grid energy storage use.