Development of multi-modal, probabilistic prediction models has lead to a need for comprehensive evaluation metrics. While several metrics can characterize the accuracy of machine-learned models (e.g., negative log-likelihood, Jensen-Shannon divergence), these metrics typically operate on probability densities. Applying them to purely sample-based prediction models thus requires that the underlying density function is estimated. However, common methods such as kernel density estimation (KDE) have been demonstrated to lack robustness, while more complex methods have not been evaluated in multi-modal estimation problems. In this paper, we present ROME (RObust Multi-modal density Estimator), a non-parametric approach for density estimation which addresses the challenge of estimating multi-modal, non-normal, and highly correlated distributions. ROME utilizes clustering to segment a multi-modal set of samples into multiple uni-modal ones and then combines simple KDE estimates obtained for individual clusters in a single multi-modal estimate. We compared our approach to state-of-the-art methods for density estimation as well as ablations of ROME, showing that it not only outperforms established methods but is also more robust to a variety of distributions. Our results demonstrate that ROME can overcome the issues of over-fitting and over-smoothing exhibited by other estimators, promising a more robust evaluation of probabilistic machine learning models.

For more details, please read our full paper, Crowdsourced Clustering via Active Querying: Practical Algorithm with Theoretical Guarantees, from HCOMP 2023.

This chapter is a preprint from our book by , focusing on leveraging machine learning (ML) in chemical and polyolefin manufacturing optimization. It's crafted for both novices and seasoned professionals keen on the latest ML applications in chemical processes. We trace the evolution of AI and ML in chemical industries, delineate core ML components, and provide resources for ML beginners. A detailed discussion on various ML methods is presented, covering regression, classification, and unsupervised learning techniques, with performance metrics and examples. Ensemble methods, deep learning networks, including MLP, DNNs, RNNs, CNNs, and transformers, are explored for their growing role in chemical applications. Practical workshops guide readers through predictive modeling using advanced ML algorithms. The chapter culminates with insights into science-guided ML, advocating for a hybrid approach that enhances model accuracy. The extensive bibliography offers resources for further research and practical implementation. This chapter aims to be a thorough primer on ML's practical application in chemical engineering, particularly for polyolefin production, and sets the stage for continued learning in subsequent chapters. Please cite the original work [169,170] when referencing.

Despite their popularity in non-English NLP, multilingual language models often underperform monolingual ones due to inter-language competition for model parameters. We propose Cross-lingual Expert Language Models (X-ELM), which mitigate this competition by independently training language models on subsets of the multilingual corpus. This process specializes X-ELMs to different languages while remaining effective as a multilingual ensemble. Our experiments show that when given the same compute budget, X-ELM outperforms jointly trained multilingual models across all considered languages and that these gains transfer to downstream tasks. X-ELM provides additional benefits over performance improvements: new experts can be iteratively added, adapting X-ELM to new languages without catastrophic forgetting. Furthermore, training is asynchronous, reducing the hardware requirements for multilingual training and democratizing multilingual modeling.

The usage of federated learning (FL) in Vehicular Ad hoc Networks (VANET) has garnered significant interest in research due to the advantages of reducing transmission overhead and protecting user privacy by communicating local dataset gradients instead of raw data. However, implementing FL in VANETs faces challenges, including limited communication resources, high vehicle mobility, and the statistical diversity of data distributions. In order to tackle these issues, this paper introduces a novel framework for hierarchical federated learning (HFL) over multi-hop clustering-based VANET. The proposed method utilizes a weighted combination of the average relative speed and cosine similarity of FL model parameters as a clustering metric to consider both data diversity and high vehicle mobility. This metric ensures convergence with minimum changes in cluster heads while tackling the complexities associated with non-independent and identically distributed (non-IID) data scenarios. Additionally, the framework includes a novel mechanism to manage seamless transitions of cluster heads (CHs), followed by transferring the most recent FL model parameter to the designated CH. Furthermore, the proposed approach considers the option of merging CHs, aiming to reduce their count and, consequently, mitigate associated overhead. Through extensive simulations, the proposed hierarchical federated learning over clustered VANET has been demonstrated to improve accuracy and convergence time significantly while maintaining an acceptable level of packet overhead compared to previously proposed clustering algorithms and non-clustered VANET.

Human cognition operates on a "Global-first" cognitive mechanism, prioritizing information processing based on coarse-grained details. This mechanism inherently possesses an adaptive multi-granularity description capacity, resulting in computational traits such as efficiency, robustness, and interpretability. The analysis pattern reliance on the finest granularity and single-granularity makes most existing computational methods less efficient, robust, and interpretable, which is an important reason for the current lack of interpretability in neural networks. Multi-granularity granular-ball computing employs granular-balls of varying sizes to daptively represent and envelop the sample space, facilitating learning based on these granular-balls. Given that the number of coarse-grained "granular-balls" is fewer than sample points, granular-ball computing proves more efficient. Moreover, the inherent coarse-grained nature of granular-balls reduces susceptibility to fine-grained sample disturbances, enhancing robustness. The multi-granularity construct of granular-balls generates topological structures and coarse-grained descriptions, naturally augmenting interpretability. Granular-ball computing has successfully ventured into diverse AI domains, fostering the development of innovative theoretical methods, including granular-ball classifiers, clustering techniques, neural networks, rough sets, and evolutionary computing. This has notably ameliorated the efficiency, noise robustness, and interpretability of traditional methods. Overall, granular-ball computing is a rare and innovative theoretical approach in AI that can adaptively and simultaneously enhance efficiency, robustness, and interpretability. This article delves into the main application landscapes for granular-ball computing, aiming to equip future researchers with references and insights to refine and expand this promising theory.

The adoption of deep neural networks (DNNs) in safety-critical contexts is often prevented by the lack of effective means to explain their results, especially when they are erroneous. In our previous work, we proposed a white-box approach (HUDD) and a black-box approach (SAFE) to automatically characterize DNN failures. They both identify clusters of similar images from a potentially large set of images leading to DNN failures. However, the analysis pipelines for HUDD and SAFE were instantiated in specific ways according to common practices, deferring the analysis of other pipelines to future work. In this paper, we report on an empirical evaluation of 99 different pipelines for root cause analysis of DNN failures. They combine transfer learning, autoencoders, heatmaps of neuron relevance, dimensionality reduction techniques, and different clustering algorithms. Our results show that the best pipeline combines transfer learning, DBSCAN, and UMAP. It leads to clusters almost exclusively capturing images of the same failure scenario, thus facilitating root cause analysis. Further, it generates distinct clusters for each root cause of failure, thus enabling engineers to detect all the unsafe scenarios. Interestingly, these results hold even for failure scenarios that are only observed in a small percentage of the failing images.

Machine learning has been increasingly used to obtain individualized neuroimaging signatures for disease diagnosis, prognosis, and response to treatment in neuropsychiatric and neurodegenerative disorders. Therefore, it has contributed to a better understanding of disease heterogeneity by identifying disease subtypes that present significant differences in various brain phenotypic measures. In this review, we first present a systematic literature overview of studies using machine learning and multimodal MRI to unravel disease heterogeneity in various neuropsychiatric and neurodegenerative disorders, including Alzheimer disease, schizophrenia, major depressive disorder, autism spectrum disorder, multiple sclerosis, as well as their potential in transdiagnostic settings. Subsequently, we summarize relevant machine learning methodologies and discuss an emerging paradigm which we call dimensional neuroimaging endophenotype (DNE). DNE dissects the neurobiological heterogeneity of neuropsychiatric and neurodegenerative disorders into a low dimensional yet informative, quantitative brain phenotypic representation, serving as a robust intermediate phenotype (i.e., endophenotype) largely reflecting underlying genetics and etiology. Finally, we discuss the potential clinical implications of the current findings and envision future research avenues.

With the growing application of AI-based systems in our lives and society, there is a rising need to ensure that AI-based systems are developed and used in a responsible way. Fairness is one of the socio-technical concerns that must be addressed in AI-based systems for this purpose. Unfair AI-based systems, particularly, unfair AI-based mobile apps, can pose difficulties for a significant proportion of the global populace. This paper aims to deeply analyze fairness concerns in AI-based app reviews. We first manually constructed a ground-truth dataset including a statistical sample of fairness and non-fairness reviews. Leveraging the ground-truth dataset, we then developed and evaluated a set of machine learning and deep learning classifiers that distinguish fairness reviews from non-fairness reviews. Our experiments show that our best-performing classifier can detect fairness reviews with a precision of 94%. We then applied the best-performing classifier on approximately 9.5M reviews collected from 108 AI-based apps and identified around 92K fairness reviews. While the fairness reviews appear in 23 app categories, we found that the 'communication' and 'social' app categories have the highest percentage of fairness reviews. Next, applying the K-means clustering technique to the 92K fairness reviews, followed by manual analysis, led to the identification of six distinct types of fairness concerns (e.g., 'receiving different quality of features and services in different platforms and devices' and 'lack of transparency and fairness in dealing with user-generated content'). Finally, the manual analysis of 2,248 app owners' responses to the fairness reviews identified six root causes (e.g., 'copyright issues', 'external factors', 'development cost') that app owners report to justify fairness concerns.

Traumatic Brain Injury (TBI) presents a broad spectrum of clinical presentations and outcomes due to its inherent heterogeneity, leading to diverse recovery trajectories and varied therapeutic responses. While many studies have delved into TBI phenotyping for distinct patient populations, identifying TBI phenotypes that consistently generalize across various settings and populations remains a critical research gap. Our research addresses this by employing multivariate time-series clustering to unveil TBI's dynamic intricates. Utilizing a self-supervised learning-based approach to clustering multivariate time-Series data with missing values (SLAC-Time), we analyzed both the research-centric TRACK-TBI and the real-world MIMIC-IV datasets. Remarkably, the optimal hyperparameters of SLAC-Time and the ideal number of clusters remained consistent across these datasets, underscoring SLAC-Time's stability across heterogeneous datasets. Our analysis revealed three generalizable TBI phenotypes ({\alpha}, \b{eta}, and {\gamma}), each exhibiting distinct non-temporal features during emergency department visits, and temporal feature profiles throughout ICU stays. Specifically, phenotype {\alpha} represents mild TBI with a remarkably consistent clinical presentation. In contrast, phenotype \b{eta} signifies severe TBI with diverse clinical manifestations, and phenotype {\gamma} represents a moderate TBI profile in terms of severity and clinical diversity. Age is a significant determinant of TBI outcomes, with older cohorts recording higher mortality rates. Importantly, while certain features varied by age, the core characteristics of TBI manifestations tied to each phenotype remain consistent across diverse populations.