Neural networks are known toproduce poor uncertainty estimations, and avariety of approaches have been proposed to remedy this issue.

Neural networks are known to produce poor uncertainty estimations, and a variety of approaches have been proposed to remedy this issue.

In this methods article, we provide a flexible but easy-to-use implementation of Direct Coupling Analysis (DCA) based on Boltzmann machine learning, together with a tutorial on how to use it. The package \texttt{adabmDCA 2.0} is available in different programming languages (C++, Julia, Python) usable on different architectures (single-core and multi-core CPU, GPU) using a common front-end interface. In addition to several learning protocols for dense and sparse generative DCA models, it allows to directly address common downstream tasks like residue-residue contact prediction, mutational-effect prediction, scoring of sequence libraries and generation of artificial sequences for sequence design. It is readily applicable to protein and RNA sequence data.

Neural networks are known to produce poor uncertainty estimations, and a variety of approaches have been proposed to remedy this issue. This includes deep ensemble, a simple and effective method that achieves state-of-the-art results for uncertainty-aware learning tasks. In this work, we explore a combinatorial generalization of deep ensemble called deep combinatorial aggregation (DCA). DCA creates multiple instances of network components and aggregates their combinations to produce diversified model proposals and predictions. DCA components can be defined at different levels of granularity. And we discovered that coarse-grain DCAs can outperform deep ensemble for uncertainty-aware learning both in terms of predictive performance and uncertainty estimation. For fine-grain DCAs, we discover that an average parameterization approach named deep combinatorial weight averaging (DCWA) can improve the baseline training. It is on par with stochastic weight averaging (SWA) but does not require any custom training schedule or adaptation of BatchNorm layers. Furthermore, we propose a consistency enforcing loss that helps the training of DCWA and modelwise DCA. We experiment on in-domain, distributional shift, and out-of-distribution image classification tasks, and empirically confirm the effectiveness of DCWA and DCA approaches.

Ovarian cancer is one of the most serious cancers that threaten women around the world. Epithelial ovarian cancer (EOC), as the most commonly seen subtype of ovarian cancer, has rather high mortality rate and poor prognosis among various gynecological cancers. Survival analysis outcome is able to provide treatment advices to doctors. In recent years, with the development of medical imaging technology, survival prediction approaches based on pathological images have been proposed. In this study, we designed a deep framework named EOCSA which analyzes the prognosis of EOC patients based on pathological whole slide images (WSIs). Specifically, we first randomly extracted patches from WSIs and grouped them into multiple clusters. Next, we developed a survival prediction model, named DeepConvAttentionSurv (DCAS), which was able to extract patch-level features, removed less discriminative clusters and predicted the EOC survival precisely. Particularly, channel attention, spatial attention, and neuron attention mechanisms were used to improve the performance of feature extraction. Then patient-level features were generated from our weight calculation method and the survival time was finally estimated using LASSO-Cox model. The proposed EOCSA is efficient and effective in predicting prognosis of EOC and the DCAS ensures more informative and discriminative features can be extracted. As far as we know, our work is the first to analyze the survival of EOC based on WSIs and deep neural network technologies. The experimental results demonstrate that our proposed framework has achieved state-of-the-art performance of 0.980 C-index. The implementation of the approach can be found at https://github.com/RanSuLab/EOCprognosis.