A common network inference problem, arising from real-world data constraints, is how to infer a dynamic network from its time-aggregated adjacency matrix and time-varying marginals (i.e., row and column sums). Prior approaches to this problem have repurposed the classic iterative proportional fitting (IPF) procedure, also known as Sinkhorn's algorithm, with promising empirical results. However, the statistical foundation for using IPF has not been well understood: under what settings does IPF provide principled estimation of a dynamic network from its marginals, and how well does it estimate the network? In this work, we establish such a setting, by identifying a generative network model whose maximum likelihood estimates are recovered by IPF. Our model both reveals implicit assumptions on the use of IPF in such settings and enables new analyses, such as structure-dependent error bounds on IPF's parameter estimates. When IPF fails to converge on sparse network data, we introduce a principled algorithm that guarantees IPF converges under minimal changes to the network structure. Finally, we conduct experiments with synthetic and real-world data, which demonstrate the practical value of our theoretical and algorithmic contributions.

Next-token prediction (NTP), the go-to training paradigm in training large language models, involves predicting the next token in a sequence. Departing from traditional one-hot classification, in NTP, multiple tokens with varying frequencies follow each given context. This work frames NTP training as cross-entropy minimization over distinct contexts, each associated with a sparse empirical probability vector across a finite vocabulary. It then addresses the following question: do gradient-based optimizers exhibit a bias towards solutions with specific structure as the NTP training loss reaches its lower bound (entropy)? Specifically, for linear NTP models trained using gradient descent (GD), we make the following contributions: Firstly, we determine NTP-separability conditions on the data, under which GD can attain its lower bound. We also demonstrate that these conditions hold under overparameterization. Secondly, we establish that the parameters of GD projected onto an appropriate data subspace converge to the unique solution of a system of linear equations, which requires the logits' difference of in-support tokens to be equal to the log-ratio of their respective probabilities. Meanwhile, on the orthogonal subspace, the parameters diverge and converge in the direction of the solution of a max-margin quadratic program, minimizing the Euclidean norm of parameters satisfying the \NTP-separability conditions. Akin to prior research on implicit bias of one-hot classification, our work opens exciting avenues for future research that can lead to better understanding optimization, generalization and robustness principles of models trained with NTP.

The growing demand for personalized decision-making has led to a surge of interest in estimating the Conditional Average Treatment Effect (CATE). The intersection of machine learning and causal inference has yielded various effective CATE estimators. However, deploying these estimators in practice is often hindered by the absence of counterfactual labels, making it challenging to select the desirable CATE estimator using conventional model selection procedures like cross-validation. Existing approaches for CATE estimator selection, such as plug-in and pseudo-outcome metrics, face two inherent challenges. Firstly, they are required to determine the metric form and the underlying machine learning models for fitting nuisance parameters or plug-in learners. Secondly, they lack a specific focus on selecting a robust estimator. To address these challenges, this paper introduces a novel approach, the Distributionally Robust Metric (DRM), for CATE estimator selection. The proposed DRM not only eliminates the need to fit additional models but also excels at selecting a robust CATE estimator. Experimental studies demonstrate the efficacy of the DRM method, showcasing its consistent effectiveness in identifying superior estimators while mitigating the risk of selecting inferior ones.

We propose AFTNet, a novel network-constraint survival analysis method based on the Weibull accelerated failure time (AFT) model solved by a penalized likelihood approach for variable selection and estimation. When using the log-linear representation, the inference problem becomes a structured sparse regression problem for which we explicitly incorporate the correlation patterns among predictors using a double penalty that promotes both sparsity and grouping effect. Moreover, we establish the theoretical consistency for the AFTNet estimator and present an efficient iterative computational algorithm based on the proximal gradient descent method. Finally, we evaluate AFTNet performance both on synthetic and real data examples.

Identification and appropriate handling of inconsistencies in data at deployment time is crucial to reliably use machine learning models. While recent data-centric methods are able to identify such inconsistencies with respect to the training set, they suffer from two key limitations: (1) suboptimality in settings where features exhibit statistical independencies, due to their usage of compressive representations and (2) lack of localization to pin-point why a sample might be flagged as inconsistent, which is important to guide future data collection. We solve these two fundamental limitations using directed acyclic graphs (DAGs) to encode the training set's features probability distribution and independencies as a structure. Our method, called DAGnosis, leverages these structural interactions to bring valuable and insightful data-centric conclusions. DAGnosis unlocks the localization of the causes of inconsistencies on a DAG, an aspect overlooked by previous approaches. Moreover, we show empirically that leveraging these interactions (1) leads to more accurate conclusions in detecting inconsistencies, as well as (2) provides more detailed insights into why some samples are flagged.

The static synaptic connectivity of neuronal circuits stands in direct contrast to the dynamics of their function. As in changing community interactions, different neurons can participate actively in various combinations to effect behaviors at different times. We introduce an unsupervised approach to learn the dynamic affinities between neurons in live, behaving animals, and to reveal which communities form among neurons at different times. The inference occurs in two major steps. First, pairwise non-linear affinities between neuronal traces from brain-wide calcium activity are organized by non-negative tensor factorization (NTF). Each factor specifies which groups of neurons are most likely interacting for an inferred interval in time, and for which animals. Finally, a generative model that allows for weighted community detection is applied to the functional motifs produced by NTF to reveal a dynamic functional connectome. Since time codes the different experimental variables (e.g., application of chemical stimuli), this provides an atlas of neural motifs active during separate stages of an experiment (e.g., stimulus application or spontaneous behaviors). Results from our analysis are experimentally validated, confirming that our method is able to robustly predict causal interactions between neurons to generate behavior. Code is available at https://github.com/dyballa/dynamic-connectomes.

Understanding sleep and activity patterns plays a crucial role in physical and mental health. This study introduces a novel approach for sleep detection using weakly supervised learning for scenarios where reliable ground truth labels are unavailable. The proposed method relies on a set of weak labels, derived from the predictions generated by conventional sleep detection algorithms. Introducing a novel approach, we suggest a novel generalised non-linear statistical model in which the number of weak sleep labels is modelled as outcome of a binomial distribution. The probability of sleep in the binomial distribution is linked to the outcomes of neural networks trained to detect sleep based on actigraphy. We show that maximizing the likelihood function of the model, is equivalent to minimizing the soft cross-entropy loss. Additionally, we explored the use of the Brier score as a loss function for weak labels. The efficacy of the suggested modelling framework was demonstrated using the Multi-Ethnic Study of Atherosclerosis dataset. A \gls{lstm} trained on the soft cross-entropy outperformed conventional sleep detection algorithms, other neural network architectures and loss functions in accuracy and model calibration. This research not only advances sleep detection techniques in scenarios where ground truth data is scarce but also contributes to the broader field of weakly supervised learning by introducing innovative approach in modelling sets of weak labels.

Uncertainty quantification (UQ) to detect samples with large expected errors (outliers) is applied to reactive molecular potential energy surfaces (PESs). Three methods - Ensembles, Deep Evidential Regression (DER), and Gaussian Mixture Models (GMM) - were applied to the H-transfer reaction between ${\it syn-}$Criegee and vinyl hydroxyperoxide. The results indicate that ensemble models provide the best results for detecting outliers, followed by GMM. For example, from a pool of 1000 structures with the largest uncertainty, the detection quality for outliers is $\sim 90$ \% and $\sim 50$ \%, respectively, if 25 or 1000 structures with large errors are sought. On the contrary, the limitations of the statistical assumptions of DER greatly impacted its prediction capabilities. Finally, a structure-based indicator was found to be correlated with large average error, which may help to rapidly classify new structures into those that provide an advantage for refining the neural network.

Post-hoc out-of-distribution (OOD) detection has garnered intensive attention in reliable machine learning. Many efforts have been dedicated to deriving score functions based on logits, distances, or rigorous data distribution assumptions to identify low-scoring OOD samples. Nevertheless, these estimate scores may fail to accurately reflect the true data density or impose impractical constraints. To provide a unified perspective on density-based score design, we propose a novel theoretical framework grounded in Bregman divergence, which extends distribution considerations to encompass an exponential family of distributions. Leveraging the conjugation constraint revealed in our theorem, we introduce a \textsc{ConjNorm} method, reframing density function design as a search for the optimal norm coefficient $p$ against the given dataset. In light of the computational challenges of normalization, we devise an unbiased and analytically tractable estimator of the partition function using the Monte Carlo-based importance sampling technique. Extensive experiments across OOD detection benchmarks empirically demonstrate that our proposed \textsc{ConjNorm} has established a new state-of-the-art in a variety of OOD detection setups, outperforming the current best method by up to 13.25$\%$ and 28.19$\%$ (FPR95) on CIFAR-100 and ImageNet-1K, respectively.

Postmortem analysis is essential in the management of incidents within cloud systems, which provides valuable insights to improve system's reliability and robustness. At CloudA, fault pattern profiling is performed during the postmortem phase, which involves the classification of incidents' faults into unique categories, referred to as fault pattern. By aggregating and analyzing these fault patterns, engineers can discern common faults, vulnerable components and emerging fault trends. However, this process is currently conducted by manual labeling, which has inherent drawbacks. On the one hand, the sheer volume of incidents means only the most severe ones are analyzed, causing a skewed overview of fault patterns. On the other hand, the complexity of the task demands extensive domain knowledge, which leads to errors and inconsistencies. To address these limitations, we propose an automated approach, named FaultProfIT, for Fault pattern Profiling of Incident Tickets. It leverages hierarchy-guided contrastive learning to train a hierarchy-aware incident encoder and predicts fault patterns with enhanced incident representations. We evaluate FaultProfIT using the production incidents from CloudA. The results demonstrate that FaultProfIT outperforms state-of-the-art methods. Our ablation study and analysis also verify the effectiveness of hierarchy-guided contrastive learning. Additionally, we have deployed FaultProfIT at CloudA for six months. To date, FaultProfIT has analyzed 10,000+ incidents from 30+ cloud services, successfully revealing several fault trends that have informed system improvements.