In human neuroscience, machine learning can help reveal lower-dimensional neural representations relevant to subjects' behavior. However, state-of-the-art models typically require large datasets to train, so are prone to overfitting on human neuroimaging data that often possess few samples but many input dimensions. Here, we capitalized on the fact that the features we seek in human neuroscience are precisely those relevant to subjects' behavior. We thus developed a Task-Relevant Autoencoder via Classifier Enhancement (TRACE), and tested its ability to extract behaviorally-relevant, separable representations compared to a standard autoencoder, a variational autoencoder, and principal component analysis for two severely truncated machine learning datasets. We then evaluated all models on fMRI data from 59 subjects who observed animals and objects. TRACE outperformed all models nearly unilaterally, showing up to 12% increased classification accuracy and up to 56% improvement in discovering "cleaner", task-relevant representations. These results showcase TRACE's potential for a wide variety of data related to human behavior.
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機器學習（Machine Learning）是一個研究計算學習方法的國際論壇。該雜志發表文章，報告廣泛的學習方法應用于各種學習問題的實質性結果。該雜志的特色論文描述研究的問題和方法，應用研究和研究方法的問題。有關學習問題或方法的論文通過實證研究、理論分析或與心理現象的比較提供了堅實的支持。應用論文展示了如何應用學習方法來解決重要的應用問題。研究方法論文改進了機器學習的研究方法。所有的論文都以其他研究人員可以驗證或復制的方式描述了支持證據。論文還詳細說明了學習的組成部分，并討論了關于知識表示和性能任務的假設。
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Modern generative machine learning models demonstrate surprising ability to create realistic outputs far beyond their training data, such as photorealistic artwork, accurate protein structures, or conversational text. These successes suggest that generative models learn to effectively parametrize and sample arbitrarily complex distributions. Beginning half a century ago, foundational works in nonlinear dynamics used tools from information theory to infer properties of chaotic attractors from time series, motivating the development of algorithms for parametrizing chaos in real datasets. In this perspective, we aim to connect these classical works to emerging themes in large-scale generative statistical learning. We first consider classical attractor reconstruction, which mirrors constraints on latent representations learned by state space models of time series. We next revisit early efforts to use symbolic approximations to compare minimal discrete generators underlying complex processes, a problem relevant to modern efforts to distill and interpret black-box statistical models. Emerging interdisciplinary works bridge nonlinear dynamics and learning theory, such as operator-theoretic methods for complex fluid flows, or detection of broken detailed balance in biological datasets. We anticipate that future machine learning techniques may revisit other classical concepts from nonlinear dynamics, such as transinformation decay and complexity-entropy tradeoffs.
1. Automated analysis of bioacoustic recordings using machine learning (ML) methods has the potential to greatly scale biodiversity monitoring efforts. The use of ML for high-stakes applications, such as conservation research, demands a data-centric approach with a focus on utilizing carefully annotated and curated evaluation and training data that is relevant and representative. Creating annotated datasets of sound recordings presents a number of challenges, such as managing large collections of recordings with associated metadata, developing flexible annotation tools that can accommodate the diverse range of vocalization profiles of different organisms, and addressing the scarcity of expert annotators. 2. We present Whombat a user-friendly, browser-based interface for managing audio recordings and annotation projects, with several visualization, exploration, and annotation tools. It enables users to quickly annotate, review, and share annotations, as well as visualize and evaluate a set of machine learning predictions on a dataset. The tool facilitates an iterative workflow where user annotations and machine learning predictions feedback to enhance model performance and annotation quality. 3. We demonstrate the flexibility of Whombat by showcasing two distinct use cases: an project aimed at enhancing automated UK bat call identification at the Bat Conservation Trust (BCT), and a collaborative effort among the USDA Forest Service and Oregon State University researchers exploring bioacoustic applications and extending automated avian classification models in the Pacific Northwest, USA. 4. Whombat is a flexible tool that can effectively address the challenges of annotation for bioacoustic research. It can be used for individual and collaborative work, hosted on a shared server or accessed remotely, or run on a personal computer without the need for coding skills.
The semantic segmentation of pelvic organs via MRI has important clinical significance. Recently, deep learning-enabled semantic segmentation has facilitated the three-dimensional geometric reconstruction of pelvic floor organs, providing clinicians with accurate and intuitive diagnostic results. However, the task of labeling pelvic floor MRI segmentation, typically performed by clinicians, is labor-intensive and costly, leading to a scarcity of labels. Insufficient segmentation labels limit the precise segmentation and reconstruction of pelvic floor organs. To address these issues, we propose a semi-supervised framework for pelvic organ segmentation. The implementation of this framework comprises two stages. In the first stage, it performs self-supervised pre-training using image restoration tasks. Subsequently, fine-tuning of the self-supervised model is performed, using labeled data to train the segmentation model. In the second stage, the self-supervised segmentation model is used to generate pseudo labels for unlabeled data. Ultimately, both labeled and unlabeled data are utilized in semi-supervised training. Upon evaluation, our method significantly enhances the performance in the semantic segmentation and geometric reconstruction of pelvic organs, Dice coefficient can increase by 2.65% averagely. Especially for organs that are difficult to segment, such as the uterus, the accuracy of semantic segmentation can be improved by up to 3.70%.
Validity problems in clinical machine learning by indirect data labeling using consensus definitions
We demonstrate a validity problem of machine learning in the vital application area of disease diagnosis in medicine. It arises when target labels in training data are determined by an indirect measurement, and the fundamental measurements needed to determine this indirect measurement are included in the input data representation. Machine learning models trained on this data will learn nothing else but to exactly reconstruct the known target definition. Such models show perfect performance on similarly constructed test data but will fail catastrophically on real-world examples where the defining fundamental measurements are not or only incompletely available. We present a general procedure allowing identification of problematic datasets and black-box machine learning models trained on them, and exemplify our detection procedure on the task of early prediction of sepsis.
Visualization tools can help synthetic biologists and molecular programmers understand the complex reactive pathways of nucleic acid reactions, which can be designed for many potential applications and can be modelled using a continuous-time Markov chain (CTMC). Here we present ViDa, a new visualization approach for DNA reaction trajectories that uses a 2D embedding of the secondary structure state space underlying the CTMC model. To this end, we integrate a scattering transform of the secondary structure adjacency, a variational autoencoder, and a nonlinear dimensionality reduction method. We augment the training loss with domain-specific supervised terms that capture both thermodynamic and kinetic features. We assess ViDa on two well-studied DNA hybridization reactions. Our results demonstrate that the domain-specific features lead to significant quality improvements over the state-of-the-art in DNA state space visualization, successfully separating different folding pathways and thus providing useful insights into dominant reaction mechanisms.
Most state-of-the-art machine learning techniques revolve around the optimisation of loss functions. Defining appropriate loss functions is therefore critical to successfully solving problems in this field. We present a survey of the most commonly used loss functions for a wide range of different applications, divided into classification, regression, ranking, sample generation and energy based modelling. Overall, we introduce 33 different loss functions and we organise them into an intuitive taxonomy. Each loss function is given a theoretical backing and we describe where it is best used. This survey aims to provide a reference of the most essential loss functions for both beginner and advanced machine learning practitioners.
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.
We derive information-theoretic generalization bounds for supervised learning algorithms based on the information contained in predictions rather than in the output of the training algorithm. These bounds improve over the existing information-theoretic bounds, are applicable to a wider range of algorithms, and solve two key challenges: (a) they give meaningful results for deterministic algorithms and (b) they are significantly easier to estimate. We show experimentally that the proposed bounds closely follow the generalization gap in practical scenarios for deep learning.
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.
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