Building Machine Learning Challenges for Anomaly Detection in Science

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.

Sparse Autoencoders for Scientifically Rigorous Interpretation of Vision Models

To truly understand vision models, we must not only interpret their learned features but also validate these interpretations through controlled experiments. Current approaches either provide interpretable features without the ability to test their causal influence, or enable model editing without interpretable controls. We present a unified framework using sparse autoencoders (SAEs) that bridges this gap, allowing us to discover human-interpretable visual features and precisely manipulate them to test hypotheses about model behavior. By applying our method to state-of-the-art vision models, we reveal key differences in the semantic abstractions learned by models with different pre-training objectives. We then demonstrate the practical usage of our framework through controlled interventions across multiple vision tasks. We show that SAEs can reliably identify and manipulate interpretable visual features without model re-training, providing a powerful tool for understanding and controlling vision model behavior. We provide code, demos and models on our project website: https://osu-nlp-group.github.io/SAE-V.

Finer-CAM: Spotting the Difference Reveals Finer Details for Visual Explanation

Class activation map (CAM) has been widely used to highlight image regions that contribute to class predictions. Despite its simplicity and computational efficiency, CAM often struggles to identify discriminative regions that distinguish visually similar fine-grained classes. Prior efforts address this limitation by introducing more sophisticated explanation processes, but at the cost of extra complexity. In this paper, we propose Finer-CAM, a method that retains CAM's efficiency while achieving precise localization of discriminative regions. Our key insight is that the deficiency of CAM lies not in "how" it explains, but in "what" it explains}. Specifically, previous methods attempt to identify all cues contributing to the target class's logit value, which inadvertently also activates regions predictive of visually similar classes. By explicitly comparing the target class with similar classes and spotting their differences, Finer-CAM suppresses features shared with other classes and emphasizes the unique, discriminative details of the target class. Finer-CAM is easy to implement, compatible with various CAM methods, and can be extended to multi-modal models for accurate localization of specific concepts. Additionally, Finer-CAM allows adjustable comparison strength, enabling users to selectively highlight coarse object contours or fine discriminative details. Quantitatively, we show that masking out the top 5% of activated pixels by Finer-CAM results in a larger relative confidence drop compared to baselines. The source code and demo are available at https://github.com/Imageomics/Finer-CAM.

Prompt-CAM: A Simpler Interpretable Transformer for Fine-Grained Analysis

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.

Static Segmentation by Tracking: A Frustratingly Label-Efficient Approach to Fine-Grained Segmentation

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.

Fine-Tuning is Fine, if Calibrated

Fine-tuning is arguably the most straightforward way to tailor a pre-trained model (e.g., a foundation model) to downstream applications, but it also comes with the risk of losing valuable knowledge the model had learned in pre-training. For example, fine-tuning a pre-trained classifier capable of recognizing a large number of classes to master a subset of classes at hand is shown to drastically degrade the model's accuracy in the other classes it had previously learned. As such, it is hard to further use the fine-tuned model when it encounters classes beyond the fine-tuning data. In this paper, we systematically dissect the issue, aiming to answer the fundamental question, ''What has been damaged in the fine-tuned model?'' To our surprise, we find that the fine-tuned model neither forgets the relationship among the other classes nor degrades the features to recognize these classes. Instead, the fine-tuned model often produces more discriminative features for these other classes, even if they were missing during fine-tuning! {What really hurts the accuracy is the discrepant logit scales between the fine-tuning classes and the other classes}, implying that a simple post-processing calibration would bring back the pre-trained model's capability and at the same time unveil the feature improvement over all classes. We conduct an extensive empirical study to demonstrate the robustness of our findings and provide preliminary explanations underlying them, suggesting new directions for future theoretical analysis. Our code is available at https://github.com/OSU-MLB/Fine-Tuning-Is-Fine-If-Calibrated.

VLM4Bio: A Benchmark Dataset to Evaluate Pretrained Vision-Language Models for Trait Discovery from Biological Images

Images are increasingly becoming the currency for documenting biodiversity on the planet, providing novel opportunities for accelerating scientific discoveries in the field of organismal biology, especially with the advent of large vision-language models (VLMs). We ask if pre-trained VLMs can aid scientists in answering a range of biologically relevant questions without any additional fine-tuning. In this paper, we evaluate the effectiveness of 12 state-of-the-art (SOTA) VLMs in the field of organismal biology using a novel dataset, VLM4Bio, consisting of 469K question-answer pairs involving 30K images from three groups of organisms: fishes, birds, and butterflies, covering five biologically relevant tasks. We also explore the effects of applying prompting techniques and tests for reasoning hallucination on the performance of VLMs, shedding new light on the capabilities of current SOTA VLMs in answering biologically relevant questions using images. The code and datasets for running all the analyses reported in this paper can be found at https://github.com/sammarfy/VLM4Bio.

Hierarchical Conditioning of Diffusion Models Using Tree-of-Life for Studying Species Evolution

A central problem in biology is to understand how organisms evolve and adapt to their environment by acquiring variations in the observable characteristics or traits of species across the tree of life. With the growing availability of large-scale image repositories in biology and recent advances in generative modeling, there is an opportunity to accelerate the discovery of evolutionary traits automatically from images. Toward this goal, we introduce Phylo-Diffusion, a novel framework for conditioning diffusion models with phylogenetic knowledge represented in the form of HIERarchical Embeddings (HIER-Embeds). We also propose two new experiments for perturbing the embedding space of Phylo-Diffusion: trait masking and trait swapping, inspired by counterpart experiments of gene knockout and gene editing/swapping. Our work represents a novel methodological advance in generative modeling to structure the embedding space of diffusion models using tree-based knowledge. Our work also opens a new chapter of research in evolutionary biology by using generative models to visualize evolutionary changes directly from images. We empirically demonstrate the usefulness of Phylo-Diffusion in capturing meaningful trait variations for fishes and birds, revealing novel insights about the biological mechanisms of their evolution.

Integrating Biological Data into Autonomous Remote Sensing Systems for In Situ Imageomics: A Case Study for Kenyan Animal Behavior Sensing with Unmanned Aerial Vehicles (UAVs)

In situ imageomics leverages machine learning techniques to infer biological traits from images collected in the field, or in situ, to study individuals organisms, groups of wildlife, and whole ecosystems. Such datasets provide real-time social and environmental context to inferred biological traits, which can enable new, data-driven conservation and ecosystem management. The development of machine learning techniques to extract biological traits from images are impeded by the volume and quality data required to train these models. Autonomous, unmanned aerial vehicles (UAVs), are well suited to collect in situ imageomics data as they can traverse remote terrain quickly to collect large volumes of data with greater consistency and reliability compared to manually piloted UAV missions. However, little guidance exists on optimizing autonomous UAV missions for the purposes of remote sensing for conservation and biodiversity monitoring. The UAV video dataset curated by KABR: In-Situ Dataset for Kenyan Animal Behavior Recognition from Drone Videos required three weeks to collect, a time-consuming and expensive endeavor. Our analysis of KABR revealed that a third of the videos gathered were unusable for the purposes of inferring wildlife behavior. We analyzed the flight telemetry data from portions of UAV videos that were usable for inferring wildlife behavior, and demonstrate how these insights can be integrated into an autonomous remote sensing system to track wildlife in real time. Our autonomous remote sensing system optimizes the UAV's actions to increase the yield of usable data, and matches the flight path of an expert pilot with an 87% accuracy rate, representing an 18.2% improvement in accuracy over previously proposed methods.

BaboonLand Dataset: Tracking Primates in the Wild and Automating Behaviour Recognition from Drone Videos

Using drones to track multiple individuals simultaneously in their natural environment is a powerful approach for better understanding group primate behavior. Previous studies have demonstrated that it is possible to automate the classification of primate behavior from video data, but these studies have been carried out in captivity or from ground-based cameras. To understand group behavior and the self-organization of a collective, the whole troop needs to be seen at a scale where behavior can be seen in relation to the natural environment in which ecological decisions are made. This study presents a novel dataset from drone videos for baboon detection, tracking, and behavior recognition. The baboon detection dataset was created by manually annotating all baboons in drone videos with bounding boxes. A tiling method was subsequently applied to create a pyramid of images at various scales from the original 5.3K resolution images, resulting in approximately 30K images used for baboon detection. The tracking dataset is derived from the detection dataset, where all bounding boxes are assigned the same ID throughout the video. This process resulted in half an hour of very dense tracking data. The behavior recognition dataset was generated by converting tracks into mini-scenes, a video subregion centered on each animal; each mini-scene was manually annotated with 12 distinct behavior types, resulting in over 20 hours of data. Benchmark results show mean average precision (mAP) of 92.62\% for the YOLOv8-X detection model, multiple object tracking precision (MOTA) of 63.81\% for the BotSort tracking algorithm, and micro top-1 accuracy of 63.97\% for the X3D behavior recognition model. Using deep learning to classify wildlife behavior from drone footage facilitates non-invasive insight into the collective behavior of an entire group.