Search

Feature-based methods are commonly used to explain model predictions, but these methods often implicitly assume that interpretable features are readily available. However, this is often not the case for high-dimensional data, and it can be hard even for domain experts to mathematically specify which features are important. Can we instead automatically extract collections or groups of features that are aligned with expert knowledge? To address this gap, we present FIX (Features Interpretable to eXperts), a benchmark for measuring how well a collection of features aligns with expert knowledge. In collaboration with domain experts, we propose FIXScore, a unified expert alignment measure applicable to diverse real-world settings across cosmology, psychology, and medicine domains in vision, language and time series data modalities. With FIXScore, we find that popular feature-based explanation methods have poor alignment with expert-specified knowledge, highlighting the need for new methods that can better identify features interpretable to experts.

Models trained on a labeled source domain (e.g., labeled images from wildlife camera traps) often generalize poorly when deployed on an out-of-distribution (OOD) target domain (e.g., images from new camera trap locations). In the domain adaptation setting where unlabeled target data is available, self-supervised pretraining (e.g., masked autoencoding or contrastive learning) is a promising method to mitigate this performance drop. Pretraining improves OOD error when the generic data augmentations used (e.g., masking or cropping) connect the source and target domains, which may be far apart in the input space. In this paper, we show on real-world tasks that standard fine-tuning after pretraining does not consistently improve OOD error over simply training from scratch on labeled source data. To better leverage pretraining for distribution shifts, we propose Connect Later: after pretraining with generic augmentations, fine-tune with targeted augmentations designed with knowledge of the distribution shift. Pretraining learns good representations within the source and target domains, while targeted augmentations connect the domains better during fine-tuning. Connect Later improves average OOD error over standard fine-tuning and supervised learning with targeted augmentations on 4 real-world datasets: Connect Later achieves the state-of-the-art on astronomical time-series classification (AstroClassification) by 2.5%, wildlife species identification (iWildCam-WILDS) with ResNet-50 by 0.9%, and tumor identification (Camelyon17-WILDS) with DenseNet121 by 1.1%; as well as best performance on a new dataset for astronomical time-series redshift prediction (Redshifts) by 0.03 RMSE (11% relative). Code and datasets are available at https://github.com/helenqu/connect-later., Comment: ICML 2024

Feature attributions explain machine learning predictions by assigning importance scores to input features. While faithful attributions accurately reflect feature contributions to the model's prediction, unfaithful ones can lead to misleading interpretations, making them unreliable in high-stake domains. The challenge of unfaithfulness of post-hoc attributions led to the development of self-explaining models. However, self-explaining models often trade-off performance for interpretability. In this work, we develop Sum-of-Parts (SOP), a new framework that transforms any differentiable model into a self-explaining model whose predictions can be attributed to groups of features. The SOP framework leverages pretrained deep learning models with custom attention modules to learn useful feature groups end-to-end without direct supervision. With these capabilities, SOP achieves highest performance while also scoring high with respect to faithfulness metrics on both ImageNet and CosmoGrid. We validate the usefulness of the groups learned by SOP through their high purity, strong human distinction ability, and practical utility in scientific discovery. In a case study, we show how SOP assists cosmologists in uncovering new insights about galaxy formation.

The deep learning architecture associated with ChatGPT and related generative AI products is known as transformers. Initially applied to Natural Language Processing, transformers and the self-attention mechanism they exploit have gained widespread interest across the natural sciences. The goal of this pedagogical and informal review is to introduce transformers to scientists. The review includes the mathematics underlying the attention mechanism, a description of the original transformer architecture, and a section on applications to time series and imaging data in astronomy. We include a Frequently Asked Questions section for readers who are curious about generative AI or interested in getting started with transformers for their research problem., Comment: 17 pages, 5 figures

Upcoming photometric surveys will discover tens of thousands of Type Ia supernovae (SNe Ia), vastly outpacing the capacity of our spectroscopic resources. In order to maximize the science return of these observations in the absence of spectroscopic information, we must accurately extract key parameters, such as SN redshifts, with photometric information alone. We present Photo-zSNthesis, a convolutional neural network-based method for predicting full redshift probability distributions from multi-band supernova lightcurves, tested on both simulated Sloan Digital Sky Survey (SDSS) and Vera C. Rubin Legacy Survey of Space and Time (LSST) data as well as observed SDSS SNe. We show major improvements over predictions from existing methods on both simulations and real observations as well as minimal redshift-dependent bias, which is a challenge due to selection effects, e.g. Malmquist bias. Specifically, we show a 61x improvement in prediction bias on PLAsTiCC simulations and 5x improvement on real SDSS data compared to results from a widely used photometric redshift estimator, LCFIT+Z. The PDFs produced by this method are well-constrained and will maximize the cosmological constraining power of photometric SNe Ia samples., Comment: Accepted by ApJ

One of the brightest objects in the universe, supernovae (SNe) are powerful explosions marking the end of a star's lifetime. Supernova (SN) type is defined by spectroscopic emission lines, but obtaining spectroscopy is often logistically unfeasible. Thus, the ability to identify SNe by type using time-series image data alone is crucial, especially in light of the increasing breadth and depth of upcoming telescopes. We present a convolutional neural network method for fast supernova time-series classification, with observed brightness data smoothed in both the wavelength and time directions with Gaussian process regression. We apply this method to full duration and truncated SN time-series, to simulate retrospective as well as real-time classification performance. Retrospective classification is used to differentiate cosmologically useful Type Ia SNe from other SN types, and this method achieves >99% accuracy on this task. We are also able to differentiate between 6 SN types with 60% accuracy given only two nights of data and 98% accuracy retrospectively., Comment: Accepted at the ICML 2022 Workshop on Machine Learning for Astrophysics