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Contrastive, self-supervised learning (SSL) is used to train a model that predicts cancer type from miRNA, mRNA or RPPA expression data. This model, a pretrained FT-Transformer, is shown to outperform XGBoost and CatBoost, standard benchmarks for tabular data, when labelled samples are scarce but the number of unlabelled samples is high. This is despite the fact that the datasets we use have $\mathcal{O}(10^{1})$ classes and $\mathcal{O}(10^{2})-\mathcal{O}(10^{4})$ features. After demonstrating the efficacy of our chosen method of self-supervised pretraining, we investigate SSL for multi-modal models. A late-fusion model is proposed, where each omics is passed through its own sub-network, the outputs of which are averaged and passed to the pretraining or downstream objective function. Multi-modal pretraining is shown to improve predictions from a single omics, and we argue that this is useful for datasets with many unlabelled multi-modal samples, but few labelled unimodal samples. Additionally, we show that pretraining each omics-specific module individually is highly effective. This enables the application of the proposed model in a variety of contexts where a large amount of unlabelled data is available from each omics, but only a few labelled samples.

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Utilizing massive web-scale datasets has led to unprecedented performance gains in machine learning models, but also imposes outlandish compute requirements for their training. In order to improve training and data efficiency, we here push the limits of pruning large-scale multimodal datasets for training CLIP-style models. Today's most effective pruning method on ImageNet clusters data samples into separate concepts according to their embedding and prunes away the most prototypical samples. We scale this approach to LAION and improve it by noting that the pruning rate should be concept-specific and adapted to the complexity of the concept. Using a simple and intuitive complexity measure, we are able to reduce the training cost to a quarter of regular training. By filtering from the LAION dataset, we find that training on a smaller set of high-quality data can lead to higher performance with significantly lower training costs. More specifically, we are able to outperform the LAION-trained OpenCLIP-ViT-B32 model on ImageNet zero-shot accuracy by 1.1p.p. while only using 27.7% of the data and training compute. Despite a strong reduction in training cost, we also see improvements on ImageNet dist. shifts, retrieval tasks and VTAB. On the DataComp Medium benchmark, we achieve a new state-of-the-art ImageNet zero-shot accuracy and a competitive average zero-shot accuracy on 38 evaluation tasks.

Recently, there has been a surge in the popularity of pre trained large language models (LLMs) (such as GPT-4), sweeping across the entire Natural Language Processing (NLP) and Computer Vision (CV) communities. These LLMs have demonstrated advanced multi-modal understanding capabilities and showcased strong performance across various benchmarks. The LLM has started to embody traits of artificial general intelligence, which holds vital guidance for enhancing brain-like characteristics within visual encoding models. Hence, This paper proposes a new multi-modal training paradigm, aligning with LLM, for encoding fMRI activity in visual cortex. Based on this paradigm, we trained an encoding model in fMRI data named the LLM-Visual Encoding Model (LLM-VEM). Specifically, we utilize LLM (miniGPT4) to generate descriptive text for all stimulus images, forming a high-quality textual description set. Moreover, we use the pre-trained text encoder (CLIP) to process these detailed descriptions, obtaining the text embedding features. Next, we use the contrast loss function to minimize the distance between the image embedding features and the text embedding features to complete the alignment operation of the stimulus image and text information. With the assistance of the pre-trained LLM, this alignment process facilitates better learning of the visual encoding model, resulting in higher precision. The final experimental results indicate that our training paradigm has significantly aided in enhancing the performance of the visual encoding model.

In many medical image classification problems, labeled data is scarce while unlabeled data is more available. Semi-supervised learning and self-supervised learning are two different research directions that can improve accuracy by learning from extra unlabeled data. Recent methods from both directions have reported significant gains on traditional benchmarks. Yet past benchmarks do not focus on medical tasks and rarely compare self- and semi- methods together on equal footing. Furthermore, past benchmarks often handle hyperparameter tuning suboptimally. First, they may not tune hyperparameters at all, leading to underfitting. Second, when tuning does occur, it often unrealistically uses a labeled validation set much larger than the train set. Both cases make previously published rankings of methods difficult to translate to practical settings. This study contributes a systematic evaluation of self- and semi- methods with a unified experimental protocol intended to guide a practitioner with scarce overall labeled data and a limited compute budget. We answer two key questions: Can hyperparameter tuning be effective with realistic-sized validation sets? If so, when all methods are tuned well, which self- or semi-supervised methods reach the best accuracy? Our study compares 13 representative semi- and self-supervised methods to strong labeled-set-only baselines on 4 medical datasets. From 20000+ total GPU hours of computation, we provide valuable best practices to resource-constrained, results-focused practitioners.

When studying the association between treatment and a clinical outcome, a parametric multivariable model of the conditional outcome expectation is often used to adjust for covariates. The treatment coefficient of the outcome model targets a conditional treatment effect. Model-based standardization is typically applied to average the model predictions over the target covariate distribution, and generate a covariate-adjusted estimate of the marginal treatment effect. The standard approach to model-based standardization involves maximum-likelihood estimation and use of the non-parametric bootstrap. We introduce a novel, general-purpose, model-based standardization method based on multiple imputation that is easily applicable when the outcome model is a generalized linear model. We term our proposed approach multiple imputation marginalization (MIM). MIM consists of two main stages: the generation of synthetic datasets and their analysis. MIM accommodates a Bayesian statistical framework, which naturally allows for the principled propagation of uncertainty, integrates the analysis into a probabilistic framework, and allows for the incorporation of prior evidence. We conduct a simulation study to benchmark the finite-sample performance of MIM in conjunction with a parametric outcome model. The simulations provide proof-of-principle in scenarios with binary outcomes, continuous-valued covariates, a logistic outcome model and the marginal log odds ratio as the target effect measure. When parametric modeling assumptions hold, MIM yields unbiased estimation in the target covariate distribution, valid coverage rates, and similar precision and efficiency than the standard approach to model-based standardization.

As a pivotal approach in machine learning and data science, manifold learning aims to uncover the intrinsic low-dimensional structure within complex nonlinear manifolds in high-dimensional space. By exploiting the manifold hypothesis, various techniques for nonlinear dimension reduction have been developed to facilitate visualization, classification, clustering, and gaining key insights. Although existing manifold learning methods have achieved remarkable successes, they still suffer from extensive distortions incurred in the global structure, which hinders the understanding of underlying patterns. Scalability issues also limit their applicability for handling large-scale data. Here, we propose a scalable manifold learning (scML) method that can manipulate large-scale and high-dimensional data in an efficient manner. It starts by seeking a set of landmarks to construct the low-dimensional skeleton of the entire data, and then incorporates the non-landmarks into the learned space based on the constrained locally linear embedding (CLLE). We empirically validated the effectiveness of scML on synthetic datasets and real-world benchmarks of different types, and applied it to analyze the single-cell transcriptomics and detect anomalies in electrocardiogram (ECG) signals. scML scales well with increasing data sizes and embedding dimensions, and exhibits promising performance in preserving the global structure. The experiments demonstrate notable robustness in embedding quality as the sample rate decreases.

Incorporating prior knowledge into pre-trained language models has proven to be effective for knowledge-driven NLP tasks, such as entity typing and relation extraction. Current pre-training procedures usually inject external knowledge into models by using knowledge masking, knowledge fusion and knowledge replacement. However, factual information contained in the input sentences have not been fully mined, and the external knowledge for injecting have not been strictly checked. As a result, the context information cannot be fully exploited and extra noise will be introduced or the amount of knowledge injected is limited. To address these issues, we propose MLRIP, which modifies the knowledge masking strategies proposed by ERNIE-Baidu, and introduce a two-stage entity replacement strategy. Extensive experiments with comprehensive analyses illustrate the superiority of MLRIP over BERT-based models in military knowledge-driven NLP tasks.

We hypothesize that due to the greedy nature of learning in multi-modal deep neural networks, these models tend to rely on just one modality while under-fitting the other modalities. Such behavior is counter-intuitive and hurts the models' generalization, as we observe empirically. To estimate the model's dependence on each modality, we compute the gain on the accuracy when the model has access to it in addition to another modality. We refer to this gain as the conditional utilization rate. In the experiments, we consistently observe an imbalance in conditional utilization rates between modalities, across multiple tasks and architectures. Since conditional utilization rate cannot be computed efficiently during training, we introduce a proxy for it based on the pace at which the model learns from each modality, which we refer to as the conditional learning speed. We propose an algorithm to balance the conditional learning speeds between modalities during training and demonstrate that it indeed addresses the issue of greedy learning. The proposed algorithm improves the model's generalization on three datasets: Colored MNIST, Princeton ModelNet40, and NVIDIA Dynamic Hand Gesture.

Meta-learning, or learning to learn, has gained renewed interest in recent years within the artificial intelligence community. However, meta-learning is incredibly prevalent within nature, has deep roots in cognitive science and psychology, and is currently studied in various forms within neuroscience. The aim of this review is to recast previous lines of research in the study of biological intelligence within the lens of meta-learning, placing these works into a common framework. More recent points of interaction between AI and neuroscience will be discussed, as well as interesting new directions that arise under this perspective.

Graph representation learning for hypergraphs can be used to extract patterns among higher-order interactions that are critically important in many real world problems. Current approaches designed for hypergraphs, however, are unable to handle different types of hypergraphs and are typically not generic for various learning tasks. Indeed, models that can predict variable-sized heterogeneous hyperedges have not been available. Here we develop a new self-attention based graph neural network called Hyper-SAGNN applicable to homogeneous and heterogeneous hypergraphs with variable hyperedge sizes. We perform extensive evaluations on multiple datasets, including four benchmark network datasets and two single-cell Hi-C datasets in genomics. We demonstrate that Hyper-SAGNN significantly outperforms the state-of-the-art methods on traditional tasks while also achieving great performance on a new task called outsider identification. Hyper-SAGNN will be useful for graph representation learning to uncover complex higher-order interactions in different applications.

Machine-learning models have demonstrated great success in learning complex patterns that enable them to make predictions about unobserved data. In addition to using models for prediction, the ability to interpret what a model has learned is receiving an increasing amount of attention. However, this increased focus has led to considerable confusion about the notion of interpretability. In particular, it is unclear how the wide array of proposed interpretation methods are related, and what common concepts can be used to evaluate them. We aim to address these concerns by defining interpretability in the context of machine learning and introducing the Predictive, Descriptive, Relevant (PDR) framework for discussing interpretations. The PDR framework provides three overarching desiderata for evaluation: predictive accuracy, descriptive accuracy and relevancy, with relevancy judged relative to a human audience. Moreover, to help manage the deluge of interpretation methods, we introduce a categorization of existing techniques into model-based and post-hoc categories, with sub-groups including sparsity, modularity and simulatability. To demonstrate how practitioners can use the PDR framework to evaluate and understand interpretations, we provide numerous real-world examples. These examples highlight the often under-appreciated role played by human audiences in discussions of interpretability. Finally, based on our framework, we discuss limitations of existing methods and directions for future work. We hope that this work will provide a common vocabulary that will make it easier for both practitioners and researchers to discuss and choose from the full range of interpretation methods.

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