Scientific discoveries are often made by finding a pattern or object that was not predicted by the known rules of science. Oftentimes, these anomalous events or objects that do not conform to the norms are an indication that the rules of science governing the data are incomplete, and something new needs to be present to explain these unexpected outliers. The challenge of finding anomalies can be confounding since it requires codifying a complete knowledge of the known scientific behaviors and then projecting these known behaviors on the data to look for deviations. When utilizing machine learning, this presents a particular challenge since we require that the model not only understands scientific data perfectly but also recognizes when the data is inconsistent and out of the scope of its trained behavior. In this paper, we present three datasets aimed at developing machine learning-based anomaly detection for disparate scientific domains covering astrophysics, genomics, and polar science. We present the different datasets along with a scheme to make machine learning challenges around the three datasets findable, accessible, interoperable, and reusable (FAIR). Furthermore, we present an approach that generalizes to future machine learning challenges, enabling the possibility of large, more compute-intensive challenges that can ultimately lead to scientific discovery.

We present a simple usage of pre-trained Vision Transformers (ViTs) for fine-grained analysis, aiming to identify and localize the traits that distinguish visually similar categories, such as different bird species or dog breeds. Pre-trained ViTs such as DINO have shown remarkable capabilities to extract localized, informative features. However, using saliency maps like Grad-CAM can hardly point out the traits: they often locate the whole object by a blurred, coarse heatmap, not traits. We propose a novel approach Prompt Class Attention Map (Prompt-CAM) to the rescue. Prompt-CAM learns class-specific prompts to a pre-trained ViT and uses the corresponding outputs for classification. To classify an image correctly, the true-class prompt must attend to the unique image patches not seen in other classes' images, i.e., traits. As such, the true class's multi-head attention maps reveal traits and their locations. Implementation-wise, Prompt-CAM is almost a free lunch by simply modifying the prediction head of Visual Prompt Tuning (VPT). This makes Prompt-CAM fairly easy to train and apply, sharply contrasting other interpretable methods that design specific models and training processes. It is even simpler than the recently published INterpretable TRansformer (INTR), whose encoder-decoder architecture prevents it from leveraging pre-trained ViTs. Extensive empirical studies on a dozen datasets from various domains (e.g., birds, fishes, insects, fungi, flowers, food, and cars) validate Prompt-CAM superior interpretation capability.

We study image segmentation in the biological domain, particularly trait and part segmentation from specimen images (e.g., butterfly wing stripes or beetle body parts). This is a crucial, fine-grained task that aids in understanding the biology of organisms. The conventional approach involves hand-labeling masks, often for hundreds of images per species, and training a segmentation model to generalize these labels to other images, which can be exceedingly laborious. We present a label-efficient method named Static Segmentation by Tracking (SST). SST is built upon the insight: while specimens of the same species have inherent variations, the traits and parts we aim to segment show up consistently. This motivates us to concatenate specimen images into a ``pseudo-video'' and reframe trait and part segmentation as a tracking problem. Concretely, SST generates masks for unlabeled images by propagating annotated or predicted masks from the ``pseudo-preceding'' images. Powered by Segment Anything Model 2 (SAM~2) initially developed for video segmentation, we show that SST can achieve high-quality trait and part segmentation with merely one labeled image per species -- a breakthrough for analyzing specimen images. We further develop a cycle-consistent loss to fine-tune the model, again using one labeled image. Additionally, we highlight the broader potential of SST, including one-shot instance segmentation on images taken in the wild and trait-based image retrieval.