It is increasingly common to encounter prediction tasks in the biomedical sciences for which multiple datasets are available for model training. Common approaches such as pooling datasets and applying standard statistical learning methods can result in poor out-of-study prediction performance when datasets are heterogeneous. Theoretical and applied work has shown $\textit{multi-study ensembling}$ to be a viable alternative that leverages the variability across datasets in a manner that promotes model generalizability. Multi-study ensembling uses a two-stage $\textit{stacking}$ strategy which fits study-specific models and estimates ensemble weights separately. This approach ignores, however, the ensemble properties at the model-fitting stage, potentially resulting in a loss of efficiency. We therefore propose $\textit{optimal ensemble construction}$, an $\textit{all-in-one}$ approach to multi-study stacking whereby we jointly estimate ensemble weights as well as parameters associated with each study-specific model. We prove that limiting cases of our approach yield existing methods such as multi-study stacking and pooling datasets before model fitting. We propose an efficient block coordinate descent algorithm to optimize the proposed loss function. We compare our approach to standard methods by applying it to a multi-country COVID-19 dataset for baseline mortality prediction. We show that when little data is available for a country before the onset of the pandemic, leveraging data from other countries can substantially improve prediction accuracy. Importantly, our approach outperforms multi-study stacking and other standard methods in this application. We further characterize the method's performance in simulations. Our method remains competitive with or outperforms multi-study stacking and other earlier methods across a range of between-study heterogeneity levels.
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Manual annotation of medical images is highly subjective, leading to inevitable and huge annotation biases. Deep learning models may surpass human performance on a variety of tasks, but they may also mimic or amplify these biases. Although we can have multiple annotators and fuse their annotations to reduce stochastic errors, we cannot use this strategy to handle the bias caused by annotators' preferences. In this paper, we highlight the issue of annotator-related biases on medical image segmentation tasks, and propose a Preference-involved Annotation Distribution Learning (PADL) framework to address it from the perspective of disentangling an annotator's preference from stochastic errors using distribution learning so as to produce not only a meta segmentation but also the segmentation possibly made by each annotator. Under this framework, a stochastic error modeling (SEM) module estimates the meta segmentation map and average stochastic error map, and a series of human preference modeling (HPM) modules estimate each annotator's segmentation and the corresponding stochastic error. We evaluated our PADL framework on two medical image benchmarks with different imaging modalities, which have been annotated by multiple medical professionals, and achieved promising performance on all five medical image segmentation tasks.
Efficient computation of node proximity queries such as transition probabilities, Personalized PageRank, and Katz are of fundamental importance in various graph mining and learning tasks. In particular, several recent works leverage fast node proximity computation to improve the scalability of Graph Neural Networks (GNN). However, prior studies on proximity computation and GNN feature propagation are on a case-by-case basis, with each paper focusing on a particular proximity measure. In this paper, we propose Approximate Graph Propagation (AGP), a unified randomized algorithm that computes various proximity queries and GNN feature propagation, including transition probabilities, Personalized PageRank, heat kernel PageRank, Katz, SGC, GDC, and APPNP. Our algorithm provides a theoretical bounded error guarantee and runs in almost optimal time complexity. We conduct an extensive experimental study to demonstrate AGP's effectiveness in two concrete applications: local clustering with heat kernel PageRank and node classification with GNNs. Most notably, we present an empirical study on a billion-edge graph Papers100M, the largest publicly available GNN dataset so far. The results show that AGP can significantly improve various existing GNN models' scalability without sacrificing prediction accuracy.
Ensemble of predictions is known to perform better than individual predictions taken separately. However, for tasks that require heavy computational resources, \textit{e.g.} semantic segmentation, creating an ensemble of learners that needs to be trained separately is hardly tractable. In this work, we propose to leverage the performance boost offered by ensemble methods to enhance the semantic segmentation, while avoiding the traditional heavy training cost of the ensemble. Our self-ensemble framework takes advantage of the multi-scale features set produced by feature pyramid network methods to feed independent decoders, thus creating an ensemble within a single model. Similar to the ensemble, the final prediction is the aggregation of the prediction made by each learner. In contrast to previous works, our model can be trained end-to-end, alleviating the traditional cumbersome multi-stage training of ensembles. Our self-ensemble framework outperforms the current state-of-the-art on the benchmark datasets ADE20K, Pascal Context and COCO-Stuff-10K for semantic segmentation and is competitive on Cityscapes. Code will be available at github.com/WalBouss/SenFormer.
Deep Neural Networks (DNNs) are often criticized for being susceptible to adversarial attacks. Most successful defense strategies adopt adversarial training or random input transformations that typically require retraining or fine-tuning the model to achieve reasonable performance. In this work, our investigations of intermediate representations of a pre-trained DNN lead to an interesting discovery pointing to intrinsic robustness to adversarial attacks. We find that we can learn a generative classifier by statistically characterizing the neural response of an intermediate layer to clean training samples. The predictions of multiple such intermediate-layer based classifiers, when aggregated, show unexpected robustness to adversarial attacks. Specifically, we devise an ensemble of these generative classifiers that rank-aggregates their predictions via a Borda count-based consensus. Our proposed approach uses a subset of the clean training data and a pre-trained model, and yet is agnostic to network architectures or the adversarial attack generation method. We show extensive experiments to establish that our defense strategy achieves state-of-the-art performance on the ImageNet validation set.
Constrained tensor and matrix factorization models allow to extract interpretable patterns from multiway data. Therefore identifiability properties and efficient algorithms for constrained low-rank approximations are nowadays important research topics. This work deals with columns of factor matrices of a low-rank approximation being sparse in a known and possibly overcomplete basis, a model coined as Dictionary-based Low-Rank Approximation (DLRA). While earlier contributions focused on finding factor columns inside a dictionary of candidate columns, i.e. one-sparse approximations, this work is the first to tackle DLRA with sparsity larger than one. I propose to focus on the sparse-coding subproblem coined Mixed Sparse-Coding (MSC) that emerges when solving DLRA with an alternating optimization strategy. Several algorithms based on sparse-coding heuristics (greedy methods, convex relaxations) are provided to solve MSC. The performance of these heuristics is evaluated on simulated data. Then, I show how to adapt an efficient MSC solver based on the LASSO to compute Dictionary-based Matrix Factorization and Canonical Polyadic Decomposition in the context of hyperspectral image processing and chemometrics. These experiments suggest that DLRA extends the modeling capabilities of low-rank approximations, helps reducing estimation variance and enhances the identifiability and interpretability of estimated factors.
Any experiment with climate models relies on a potentially large set of spatio-temporal boundary conditions. These can represent both the initial state of the system and/or forcings driving the model output throughout the experiment. Whilst these boundary conditions are typically fixed using available reconstructions in climate modelling studies, they are highly uncertain, that uncertainty is unquantified, and the effect on the output of the experiment can be considerable. We develop efficient quantification of these uncertainties that combines relevant data from multiple models and observations. Starting from the coexchangeability model, we develop a coexchangable process model to capture multiple correlated spatio-temporal fields of variables. We demonstrate that further exchangeability judgements over the parameters within this representation lead to a Bayes linear analogy of a hierarchical model. We use the framework to provide a joint reconstruction of sea-surface temperature and sea-ice concentration boundary conditions at the last glacial maximum (19-23 ka) and use it to force an ensemble of ice-sheet simulations using the FAMOUS-Ice coupled atmosphere and ice-sheet model. We demonstrate that existing boundary conditions typically used in these experiments are implausible given our uncertainties and demonstrate the impact of using more plausible boundary conditions on ice-sheet simulation.
Counterfactual explanations are usually generated through heuristics that are sensitive to the search's initial conditions. The absence of guarantees of performance and robustness hinders trustworthiness. In this paper, we take a disciplined approach towards counterfactual explanations for tree ensembles. We advocate for a model-based search aiming at "optimal" explanations and propose efficient mixed-integer programming approaches. We show that isolation forests can be modeled within our framework to focus the search on plausible explanations with a low outlier score. We provide comprehensive coverage of additional constraints that model important objectives, heterogeneous data types, structural constraints on the feature space, along with resource and actionability restrictions. Our experimental analyses demonstrate that the proposed search approach requires a computational effort that is orders of magnitude smaller than previous mathematical programming algorithms. It scales up to large data sets and tree ensembles, where it provides, within seconds, systematic explanations grounded on well-defined models solved to optimality.
For languages with no annotated resources, transferring knowledge from rich-resource languages is an effective solution for named entity recognition (NER). While all existing methods directly transfer from source-learned model to a target language, in this paper, we propose to fine-tune the learned model with a few similar examples given a test case, which could benefit the prediction by leveraging the structural and semantic information conveyed in such similar examples. To this end, we present a meta-learning algorithm to find a good model parameter initialization that could fast adapt to the given test case and propose to construct multiple pseudo-NER tasks for meta-training by computing sentence similarities. To further improve the model's generalization ability across different languages, we introduce a masking scheme and augment the loss function with an additional maximum term during meta-training. We conduct extensive experiments on cross-lingual named entity recognition with minimal resources over five target languages. The results show that our approach significantly outperforms existing state-of-the-art methods across the board.
State-of-the-art named entity recognition (NER) systems have been improving continuously using neural architectures over the past several years. However, many tasks including NER require large sets of annotated data to achieve such performance. In particular, we focus on NER from clinical notes, which is one of the most fundamental and critical problems for medical text analysis. Our work centers on effectively adapting these neural architectures towards low-resource settings using parameter transfer methods. We complement a standard hierarchical NER model with a general transfer learning framework consisting of parameter sharing between the source and target tasks, and showcase scores significantly above the baseline architecture. These sharing schemes require an exponential search over tied parameter sets to generate an optimal configuration. To mitigate the problem of exhaustively searching for model optimization, we propose the Dynamic Transfer Networks (DTN), a gated architecture which learns the appropriate parameter sharing scheme between source and target datasets. DTN achieves the improvements of the optimized transfer learning framework with just a single training setting, effectively removing the need for exponential search.
We propose a new method of estimation in topic models, that is not a variation on the existing simplex finding algorithms, and that estimates the number of topics K from the observed data. We derive new finite sample minimax lower bounds for the estimation of A, as well as new upper bounds for our proposed estimator. We describe the scenarios where our estimator is minimax adaptive. Our finite sample analysis is valid for any number of documents (n), individual document length (N_i), dictionary size (p) and number of topics (K), and both p and K are allowed to increase with n, a situation not handled well by previous analyses. We complement our theoretical results with a detailed simulation study. We illustrate that the new algorithm is faster and more accurate than the current ones, although we start out with a computational and theoretical disadvantage of not knowing the correct number of topics K, while we provide the competing methods with the correct value in our simulations.
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