Learning models for dynamical systems in continuous time is significant for understanding complex phenomena and making accurate predictions. This study presents a novel approach utilizing differential neural networks (DNNs) to model nonlinear systems, specifically permanent magnet synchronous motors (PMSMs), and to predict their current trajectories. The efficacy of our approach is validated through experiments conducted under various load disturbances and no-load conditions. The results demonstrate that our method effectively and accurately reconstructs the original systems, showcasing strong short-term and long-term prediction capabilities and robustness. This study provides valuable insights into learning the inherent dynamics of complex dynamical data and holds potential for further applications in fields such as weather forecasting, robotics, and collective behavior analysis.

Learning models of dynamical systems with external inputs, that may be, for example, nonsmooth or piecewise, is crucial for studying complex phenomena and predicting future state evolution, which is essential for applications such as safety guarantees and decision-making. In this work, we introduce \emph{Input Concomitant Neural ODEs (ICODEs)}, which incorporate precise real-time input information into the learning process of the models, rather than treating the inputs as hidden parameters to be learned. The sufficient conditions to ensure the model's contraction property are provided to guarantee that system trajectories of the trained model converge to a fixed point, regardless of initial conditions across different training processes. We validate our method through experiments on several representative real dynamics: Single-link robot, DC-to-DC converter, motion dynamics of a rigid body, Rabinovich-Fabrikant equation, Glycolytic-glycogenolytic pathway model, and heat conduction equation. The experimental results demonstrate that our proposed ICODEs efficiently learn the ground truth systems, achieving superior prediction performance under both typical and atypical inputs. This work offers a valuable class of neural ODE models for understanding physical systems with explicit external input information, with potential promising applications in fields such as physics and robotics.

Deep Neural Networks (DNNs) are prone to learning spurious features that correlate with the label during training but are irrelevant to the learning problem. This hurts model generalization and poses problems when deploying them in safety-critical applications. This paper aims to better understand the effects of spurious features through the lens of the learning dynamics of the internal neurons during the training process. We make the following observations: (1) While previous works highlight the harmful effects of spurious features on the generalization ability of DNNs, we emphasize that not all spurious features are harmful. Spurious features can be "benign" or "harmful" depending on whether they are "harder" or "easier" to learn than the core features for a given model. This definition is model and dataset-dependent. (2) We build upon this premise and use instance difficulty methods (like Prediction Depth (Baldock et al., 2021)) to quantify "easiness" for a given model and to identify this behavior during the training phase. (3) We empirically show that the harmful spurious features can be detected by observing the learning dynamics of the DNN's early layers. In other words, easy features learned by the initial layers of a DNN early during the training can (potentially) hurt model generalization. We verify our claims on medical and vision datasets, both simulated and real, and justify the empirical success of our hypothesis by showing the theoretical connections between Prediction Depth and information-theoretic concepts like V-usable information (Ethayarajh et al., 2021). Lastly, our experiments show that monitoring only accuracy during training (as is common in machine learning pipelines) is insufficient to detect spurious features. We, therefore, highlight the need for monitoring early training dynamics using suitable instance difficulty metrics.

Training high-quality instance segmentation models requires an abundance of labeled images with instance masks and classifications, which is often expensive to procure. Active learning addresses this challenge by striving for optimum performance with minimal labeling cost by selecting the most informative and representative images for labeling. Despite its potential, active learning has been less explored in instance segmentation compared to other tasks like image classification, which require less labeling. In this study, we propose a post-hoc active learning algorithm that integrates uncertainty-based sampling with diversity-based sampling. Our proposed algorithm is not only simple and easy to implement, but it also delivers superior performance on various datasets. Its practical application is demonstrated on a real-world overhead imagery dataset, where it increases the labeling efficiency fivefold.

Discovering the intended items of user queries from a massive repository of items is one of the main goals of an e-commerce search system. Relevance prediction is essential to the search system since it helps improve performance. When online serving a relevance model, the model is required to perform fast and accurate inference. Currently, the widely used models such as Bi-encoder and Cross-encoder have their limitations in accuracy or inference speed respectively. In this work, we propose a novel model called the Entity-Based Relevance Model (EBRM). We identify the entities contained in an item and decompose the QI (query-item) relevance problem into multiple QE (query-entity) relevance problems; we then aggregate their results to form the QI prediction using a soft logic formulation. The decomposition allows us to use a Cross-encoder QE relevance module for high accuracy as well as cache QE predictions for fast online inference. Utilizing soft logic makes the prediction procedure interpretable and intervenable. We also show that pretraining the QE module with auto-generated QE data from user logs can further improve the overall performance. The proposed method is evaluated on labeled data from e-commerce websites. Empirical results show that it achieves promising improvements with computation efficiency.

ML model design either starts with an interpretable model or a Blackbox and explains it post hoc. Blackbox models are flexible but difficult to explain, while interpretable models are inherently explainable. Yet, interpretable models require extensive ML knowledge and tend to be less flexible and underperforming than their Blackbox variants. This paper aims to blur the distinction between a post hoc explanation of a Blackbox and constructing interpretable models. Beginning with a Blackbox, we iteratively carve out a mixture of interpretable experts (MoIE) and a residual network. Each interpretable model specializes in a subset of samples and explains them using First Order Logic (FOL), providing basic reasoning on concepts from the Blackbox. We route the remaining samples through a flexible residual. We repeat the method on the residual network until all the interpretable models explain the desired proportion of data. Our extensive experiments show that our route, interpret, and repeat approach (1) identifies a diverse set of instance-specific concepts with high concept completeness via MoIE without compromising in performance, (2) identifies the relatively ``harder'' samples to explain via residuals, (3) outperforms the interpretable by-design models by significant margins during test-time interventions, and (4) fixes the shortcut learned by the original Blackbox. The code for MoIE is publicly available at: \url{https://github.com/batmanlab/ICML-2023-Route-interpret-repeat}

We use concept-based interpretable models to mitigate shortcut learning. Existing methods lack interpretability. Beginning with a Blackbox, we iteratively carve out a mixture of interpretable experts (MoIE) and a residual network. Each expert explains a subset of data using First Order Logic (FOL). While explaining a sample, the FOL from biased BB-derived MoIE detects the shortcut effectively. Finetuning the BB with Metadata Normalization (MDN) eliminates the shortcut. The FOLs from the finetuned-BB-derived MoIE verify the elimination of the shortcut. Our experiments show that MoIE does not hurt the accuracy of the original BB and eliminates shortcuts effectively.

Building generalizable AI models is one of the primary challenges in the healthcare domain. While radiologists rely on generalizable descriptive rules of abnormality, Neural Network (NN) models suffer even with a slight shift in input distribution (e.g., scanner type). Fine-tuning a model to transfer knowledge from one domain to another requires a significant amount of labeled data in the target domain. In this paper, we develop an interpretable model that can be efficiently fine-tuned to an unseen target domain with minimal computational cost. We assume the interpretable component of NN to be approximately domain-invariant. However, interpretable models typically underperform compared to their Blackbox (BB) variants. We start with a BB in the source domain and distill it into a \emph{mixture} of shallow interpretable models using human-understandable concepts. As each interpretable model covers a subset of data, a mixture of interpretable models achieves comparable performance as BB. Further, we use the pseudo-labeling technique from semi-supervised learning (SSL) to learn the concept classifier in the target domain, followed by fine-tuning the interpretable models in the target domain. We evaluate our model using a real-life large-scale chest-X-ray (CXR) classification dataset. The code is available at: \url{https://github.com/batmanlab/MICCAI-2023-Route-interpret-repeat-CXRs}.

Large-scale volumetric medical images with annotation are rare, costly, and time prohibitive to acquire. Self-supervised learning (SSL) offers a promising pre-training and feature extraction solution for many downstream tasks, as it only uses unlabeled data. Recently, SSL methods based on instance discrimination have gained popularity in the medical imaging domain. However, SSL pre-trained encoders may use many clues in the image to discriminate an instance that are not necessarily disease-related. Moreover, pathological patterns are often subtle and heterogeneous, requiring the ability of the desired method to represent anatomy-specific features that are sensitive to abnormal changes in different body parts. In this work, we present a novel SSL framework, named DrasCLR, for 3D medical imaging to overcome these challenges. We propose two domain-specific contrastive learning strategies: one aims to capture subtle disease patterns inside a local anatomical region, and the other aims to represent severe disease patterns that span larger regions. We formulate the encoder using conditional hyper-parameterized network, in which the parameters are dependant on the anatomical location, to extract anatomically sensitive features. Extensive experiments on large-scale computer tomography (CT) datasets of lung images show that our method improves the performance of many downstream prediction and segmentation tasks. The patient-level representation improves the performance of the patient survival prediction task. We show how our method can detect emphysema subtypes via dense prediction. We demonstrate that fine-tuning the pre-trained model can significantly reduce annotation efforts without sacrificing emphysema detection accuracy. Our ablation study highlights the importance of incorporating anatomical context into the SSL framework.

Learning accurate drug representation is essential for tasks such as computational drug repositioning and prediction of drug side-effects. A drug hierarchy is a valuable source that encodes human knowledge of drug relations in a tree-like structure where drugs that act on the same organs, treat the same disease, or bind to the same biological target are grouped together. However, its utility in learning drug representations has not yet been explored, and currently described drug representations cannot place novel molecules in a drug hierarchy. Here, we develop a semi-supervised drug embedding that incorporates two sources of information: (1) underlying chemical grammar that is inferred from molecular structures of drugs and drug-like molecules (unsupervised), and (2) hierarchical relations that are encoded in an expert-crafted hierarchy of approved drugs (supervised). We use the Variational Auto-Encoder (VAE) framework to encode the chemical structures of molecules and use the knowledge-based drug-drug similarity to induce the clustering of drugs in hyperbolic space. The hyperbolic space is amenable for encoding hierarchical concepts. Both quantitative and qualitative results support that the learned drug embedding can accurately reproduce the chemical structure and induce the hierarchical relations among drugs. Furthermore, our approach can infer the pharmacological properties of novel molecules by retrieving similar drugs from the embedding space. We demonstrate that the learned drug embedding can be used to find new uses for existing drugs and to discover side-effects. We show that it significantly outperforms baselines in both tasks.