Reward driven workflows for unsupervised explainable analysis of phases and ferroic variants from atomically resolved imaging data

Rapid progress in aberration corrected electron microscopy necessitates development of robust methods for the identification of phases, ferroic variants, and other pertinent aspects of materials structure from imaging data. While unsupervised methods for clustering and classification are widely used for these tasks, their performance can be sensitive to hyperparameter selection in the analysis workflow. In this study, we explore the effects of descriptors and hyperparameters on the capability of unsupervised ML methods to distill local structural information, exemplified by discovery of polarization and lattice distortion in Sm doped BiFeO3 (BFO) thin films. We demonstrate that a reward-driven approach can be used to optimize these key hyperparameters across the full workflow, where rewards were designed to reflect domain wall continuity and straightness, ensuring that the analysis aligns with the material's physical behavior. This approach allows us to discover local descriptors that are best aligned with the specific physical behavior, providing insight into the fundamental physics of materials. We further extend the reward driven workflows to disentangle structural factors of variation via optimized variational autoencoder (VAE). Finally, the importance of well-defined rewards was explored as a quantifiable measure of success of the workflow.

UnSegMedGAT: Unsupervised Medical Image Segmentation using Graph Attention Networks Clustering

The data-intensive nature of supervised classification drives the interest of the researchers towards unsupervised approaches, especially for problems such as medical image segmentation, where labeled data is scarce. Building on the recent advancements of Vision transformers (ViT) in computer vision, we propose an unsupervised segmentation framework using a pre-trained Dino-ViT. In the proposed method, we leverage the inherent graph structure within the image to realize a significant performance gain for segmentation in medical images. For this, we introduce a modularity-based loss function coupled with a Graph Attention Network (GAT) to effectively capture the inherent graph topology within the image. Our method achieves state-of-the-art performance, even significantly surpassing or matching that of existing (semi)supervised technique such as MedSAM which is a Segment Anything Model in medical images. We demonstrate this using two challenging medical image datasets ISIC-2018 and CVC-ColonDB. This work underscores the potential of unsupervised approaches in advancing medical image analysis in scenarios where labeled data is scarce. The github repository of the code is available on [https://github.com/mudit-adityaja/UnSegMedGAT].

Debiasify: Self-Distillation for Unsupervised Bias Mitigation

Simplicity bias poses a significant challenge in neural networks, often leading models to favor simpler solutions and inadvertently learn decision rules influenced by spurious correlations. This results in biased models with diminished generalizability. While many current approaches depend on human supervision, obtaining annotations for various bias attributes is often impractical. To address this, we introduce Debiasify, a novel self-distillation approach that requires no prior knowledge about the nature of biases. Our method leverages a new distillation loss to transfer knowledge within the network, from deeper layers containing complex, highly-predictive features to shallower layers with simpler, attribute-conditioned features in an unsupervised manner. This enables Debiasify to learn robust, debiased representations that generalize effectively across diverse biases and datasets, improving both worst-group performance and overall accuracy. Extensive experiments on computer vision and medical imaging benchmarks demonstrate the effectiveness of our approach, significantly outperforming previous unsupervised debiasing methods (e.g., a 10.13% improvement in worst-group accuracy for Wavy Hair classification in CelebA) and achieving comparable or superior performance to supervised approaches. Our code is publicly available at the following link: Debiasify.

Neuronal Competition Groups with Supervised STDP for Spike-Based Classification

Spike Timing-Dependent Plasticity (STDP) is a promising substitute to backpropagation for local training of Spiking Neural Networks (SNNs) on neuromorphic hardware. STDP allows SNNs to address classification tasks by combining unsupervised STDP for feature extraction and supervised STDP for classification. Unsupervised STDP is usually employed with Winner-Takes-All (WTA) competition to learn distinct patterns. However, WTA for supervised STDP classification faces unbalanced competition challenges. In this paper, we propose a method to effectively implement WTA competition in a spiking classification layer employing first-spike coding and supervised STDP training. We introduce the Neuronal Competition Group (NCG), an architecture that improves classification capabilities by promoting the learning of various patterns per class. An NCG is a group of neurons mapped to a specific class, implementing intra-class WTA and a novel competition regulation mechanism based on two-compartment thresholds. We incorporate our proposed architecture into spiking classification layers trained with state-of-the-art supervised STDP rules. On top of two different unsupervised feature extractors, we obtain significant accuracy improvements on image recognition datasets such as CIFAR-10 and CIFAR-100. We show that our competition regulation mechanism is crucial for ensuring balanced competition and improved class separation.

Hypergraph Neural Networks Reveal Spatial Domains from Single-cell Transcriptomics Data

The task of spatial clustering of transcriptomics data is of paramount importance. It enables the classification of tissue samples into diverse subpopulations of cells, which, in turn, facilitates the analysis of the biological functions of clusters, tissue reconstruction, and cell-cell interactions. Many approaches leverage gene expressions, spatial locations, and histological images to detect spatial domains; however, Graph Neural Networks (GNNs) as state of the art models suffer from a limitation in the assumption of pairwise connections between nodes. In the case of domain detection in spatial transcriptomics, some cells are found to be not directly related. Still, they are grouped as the same domain, which shows the incapability of GNNs for capturing implicit connections among the cells. While graph edges connect only two nodes, hyperedges connect an arbitrary number of nodes along their edges, which lets Hypergraph Neural Networks (HGNNs) capture and utilize richer and more complex structural information than traditional GNNs. We use autoencoders to address the limitation of not having the actual labels, which are well-suited for unsupervised learning. Our model has demonstrated exceptional performance, achieving the highest iLISI score of 1.843 compared to other methods. This score indicates the greatest diversity of cell types identified by our method. Furthermore, our model outperforms other methods in downstream clustering, achieving the highest ARI values of 0.51 and Leiden score of 0.60.

UnSeGArmaNet: Unsupervised Image Segmentation using Graph Neural Networks with Convolutional ARMA Filters

The data-hungry approach of supervised classification drives the interest of the researchers toward unsupervised approaches, especially for problems such as medical image segmentation, where labeled data are difficult to get. Motivated by the recent success of Vision transformers (ViT) in various computer vision tasks, we propose an unsupervised segmentation framework with a pre-trained ViT. Moreover, by harnessing the graph structure inherent within the image, the proposed method achieves a notable performance in segmentation, especially in medical images. We further introduce a modularity-based loss function coupled with an Auto-Regressive Moving Average (ARMA) filter to capture the inherent graph topology within the image. Finally, we observe that employing Scaled Exponential Linear Unit (SELU) and SILU (Swish) activation functions within the proposed Graph Neural Network (GNN) architecture enhances the performance of segmentation. The proposed method provides state-of-the-art performance (even comparable to supervised methods) on benchmark image segmentation datasets such as ECSSD, DUTS, and CUB, as well as challenging medical image segmentation datasets such as KVASIR, CVC-ClinicDB, ISIC-2018. The github repository of the code is available on \url{https://github.com/ksgr5566/UnSeGArmaNet}.

Learning Algorithms Made Simple

In this paper, we discuss learning algorithms and their importance in different types of applications which includes training to identify important patterns and features in a straightforward, easy-to-understand manner. We will review the main concepts of artificial intelligence (AI), machine learning (ML), deep learning (DL), and hybrid models. Some important subsets of Machine Learning algorithms such as supervised, unsupervised, and reinforcement learning are also discussed in this paper. These techniques can be used for some important tasks like prediction, classification, and segmentation. Convolutional Neural Networks (CNNs) are used for image and video processing and many more applications. We dive into the architecture of CNNs and how to integrate CNNs with ML algorithms to build hybrid models. This paper explores the vulnerability of learning algorithms to noise, leading to misclassification. We further discuss the integration of learning algorithms with Large Language Models (LLM) to generate coherent responses applicable to many domains such as healthcare, marketing, and finance by learning important patterns from large volumes of data. Furthermore, we discuss the next generation of learning algorithms and how we may have an unified Adaptive and Dynamic Network to perform important tasks. Overall, this article provides brief overview of learning algorithms, exploring their current state, applications and future direction.

LatteCLIP: Unsupervised CLIP Fine-Tuning via LMM-Synthetic Texts

Large-scale vision-language pre-trained (VLP) models (e.g., CLIP) are renowned for their versatility, as they can be applied to diverse applications in a zero-shot setup. However, when these models are used in specific domains, their performance often falls short due to domain gaps or the under-representation of these domains in the training data. While fine-tuning VLP models on custom datasets with human-annotated labels can address this issue, annotating even a small-scale dataset (e.g., 100k samples) can be an expensive endeavor, often requiring expert annotators if the task is complex. To address these challenges, we propose LatteCLIP, an unsupervised method for fine-tuning CLIP models on classification with known class names in custom domains, without relying on human annotations. Our method leverages Large Multimodal Models (LMMs) to generate expressive textual descriptions for both individual images and groups of images. These provide additional contextual information to guide the fine-tuning process in the custom domains. Since LMM-generated descriptions are prone to hallucination or missing details, we introduce a novel strategy to distill only the useful information and stabilize the training. Specifically, we learn rich per-class prototype representations from noisy generated texts and dual pseudo-labels. Our experiments on 10 domain-specific datasets show that LatteCLIP outperforms pre-trained zero-shot methods by an average improvement of +4.74 points in top-1 accuracy and other state-of-the-art unsupervised methods by +3.45 points.

GrabDAE: An Innovative Framework for Unsupervised Domain Adaptation Utilizing Grab-Mask and Denoise Auto-Encoder

Unsupervised Domain Adaptation (UDA) aims to adapt a model trained on a labeled source domain to an unlabeled target domain by addressing the domain shift. Existing Unsupervised Domain Adaptation (UDA) methods often fall short in fully leveraging contextual information from the target domain, leading to suboptimal decision boundary separation during source and target domain alignment. To address this, we introduce GrabDAE, an innovative UDA framework designed to tackle domain shift in visual classification tasks. GrabDAE incorporates two key innovations: the Grab-Mask module, which blurs background information in target domain images, enabling the model to focus on essential, domain-relevant features through contrastive learning; and the Denoising Auto-Encoder (DAE), which enhances feature alignment by reconstructing features and filtering noise, ensuring a more robust adaptation to the target domain. These components empower GrabDAE to effectively handle unlabeled target domain data, significantly improving both classification accuracy and robustness. Extensive experiments on benchmark datasets, including VisDA-2017, Office-Home, and Office31, demonstrate that GrabDAE consistently surpasses state-of-the-art UDA methods, setting new performance benchmarks. By tackling UDA's critical challenges with its novel feature masking and denoising approach, GrabDAE offers both significant theoretical and practical advancements in domain adaptation.

GLA-DA: Global-Local Alignment Domain Adaptation for Multivariate Time Series

Unlike images and natural language tokens, time series data is highly semantically sparse, resulting in labor-intensive label annotations. Unsupervised and Semi-supervised Domain Adaptation (UDA and SSDA) have demonstrated efficiency in addressing this issue by utilizing pre-labeled source data to train on unlabeled or partially labeled target data. However, in domain adaptation methods designed for downstream classification tasks, directly adapting labeled source samples with unlabelled target samples often results in similar distributions across various classes, thereby compromising the performance of the target classification task. To tackle this challenge, we proposed a Global-Local Alignment Domain Adaptation (GLA-DA) method for multivariate time series data. Data from two domains were initially encoded to align in an intermediate feature space adversarially, achieving Global Feature Alignment (GFA). Subsequently, GLA-DA leveraged the consistency between similarity-based and deep learning-based models to assign pseudo labels to unlabeled target data. This process aims to preserve differences among data with distinct labels by aligning the samples with the same class labels together, achieving Local Class Alignment (LCA). We implemented GLA-DA in both UDA and SSDA scenarios, showcasing its superiority over state-of-the-art methods through extensive experiments on various public datasets. Ablation experiments underscored the significance of key components within GLA-DA.