This study investigates the multi-label classification of Local Field Potential (LFP) data from the hippocampus (HIP) and nucleus accumbens (NAc) in the rat brain, focusing on reward responses using the Conditioned Place Preference (CPP) paradigm. Rats were conditioned with saline, morphine, and food rewards, and LFP recordings were conducted from both HIP and NAc during pre- and post-tests. The LFP data were classified into four categories: treatment types, test phases, recording channels, and chamber positions within the CPP setup. Features were extracted using Continuous Wavelet Transform (CWT), Wavelet Coherence, and Wavelet Scattering. Classification was performed via Decision Trees, Multilayer Perceptrons, and Support Vector Machines. Notably, in the Food group, HIP and combined HIP-NAc features yielded the highest classification accuracy for CPP chambers, whereas NAc features excelled in the Morphine group. Employing wavelet scattering, an 80% classification accuracy was achieved across treatment groups, test phases, and channels. Exceptionally high classification accuracies were observed for Food-post-test-HIP (99.75%) and Morphine-post-test-NAc (99.58%). The study reveals that NAc activity is pivotal for morphine-induced CPP, whereas HIP and HIP-NAc connectivity are crucial for food-induced CPP. The proposed methodology provides a novel avenue for precisely classifying LFP data, shedding light on neural circuit activities underlying behavioral responses.
The escalating volume of collected healthcare textual data presents a unique challenge for automated Multi-Label Text Classification (MLTC), which is primarily due to the scarcity of annotated texts for training and their nuanced nature. Traditional machine learning models often fail to fully capture the array of expressed topics. However, Large Language Models (LLMs) have demonstrated remarkable effectiveness across numerous Natural Language Processing (NLP) tasks in various domains, which show impressive computational efficiency and suitability for unsupervised learning through prompt engineering. Consequently, these LLMs promise an effective MLTC of medical narratives. However, when dealing with various labels, different prompts can be relevant depending on the topic. To address these challenges, the proposed approach, QUAD-LLM-MLTC, leverages the strengths of four LLMs: GPT-4o, BERT, PEGASUS, and BART. QUAD-LLM-MLTC operates in a sequential pipeline in which BERT extracts key tokens, PEGASUS augments textual data, GPT-4o classifies, and BART provides topics' assignment probabilities, which results in four classifications, all in a 0-shot setting. The outputs are then combined using ensemble learning and processed through a meta-classifier to produce the final MLTC result. The approach is evaluated using three samples of annotated texts, which contrast it with traditional and single-model methods. The results show significant improvements across the majority of the topics in the classification's F1 score and consistency (F1 and Micro-F1 scores of 78.17% and 80.16% with standard deviations of 0.025 and 0.011, respectively). This research advances MLTC using LLMs and provides an efficient and scalable solution to rapidly categorize healthcare-related text data without further training.
Machine learning, particularly convolutional neural networks (CNNs), has shown promise in medical image analysis, especially for thoracic disease detection using chest X-ray images. In this study, we evaluate various CNN architectures, including binary classification, multi-label classification, and ResNet50 models, to address challenges like dataset imbalance, variations in image quality, and hidden biases. We introduce advanced preprocessing techniques such as principal component analysis (PCA) for image compression and propose a novel class-weighted loss function to mitigate imbalance issues. Our results highlight the potential of CNNs in medical imaging but emphasize that issues like unbalanced datasets and variations in image acquisition methods must be addressed for optimal model performance.
Extreme multi-label classification (XMC) seeks to find relevant labels from an extremely large label collection for a given text input. To tackle such a vast label space, current state-of-the-art methods fall into two categories. The one-versus-all (OVA) method uses learnable label embeddings for each label, excelling at memorization (i.e., capturing detailed training signals for accurate head label prediction). In contrast, the dual-encoder (DE) model maps input and label text into a shared embedding space for better generalization (i.e., the capability of predicting tail labels with limited training data), but may fall short at memorization. To achieve generalization and memorization, existing XMC methods often combine DE and OVA models, which involves complex training pipelines. Inspired by the success of retrieval-augmented language models, we propose the Retrieval-augmented Encoders for XMC (RAEXMC), a novel framework that equips a DE model with retrieval-augmented capability for efficient memorization without additional trainable parameter. During training, RAEXMC is optimized by the contrastive loss over a knowledge memory that consists of both input instances and labels. During inference, given a test input, RAEXMC retrieves the top-$K$ keys from the knowledge memory, and aggregates the corresponding values as the prediction scores. We showcase the effectiveness and efficiency of RAEXMC on four public LF-XMC benchmarks. RAEXMC not only advances the state-of-the-art (SOTA) DE method DEXML, but also achieves more than 10x speedup on the largest LF-AmazonTitles-1.3M dataset under the same 8 A100 GPUs training environments.
Retrosynthesis strategically plans the synthesis of a chemical target compound from simpler, readily available precursor compounds. This process is critical for synthesizing novel inorganic materials, yet traditional methods in inorganic chemistry continue to rely on trial-and-error experimentation. Emerging machine-learning approaches struggle to generalize to entirely new reactions due to their reliance on known precursors, as they frame retrosynthesis as a multi-label classification task. To address these limitations, we propose Retro-Rank-In, a novel framework that reformulates the retrosynthesis problem by embedding target and precursor materials into a shared latent space and learning a pairwise ranker on a bipartite graph of inorganic compounds. We evaluate Retro-Rank-In's generalizability on challenging retrosynthesis dataset splits designed to mitigate data duplicates and overlaps. For instance, for Cr2AlB2, it correctly predicts the verified precursor pair CrB + Al despite never seeing them in training, a capability absent in prior work. Extensive experiments show that Retro-Rank-In sets a new state-of-the-art, particularly in out-of-distribution generalization and candidate set ranking, offering a powerful tool for accelerating inorganic material synthesis.
In this work, we present a novel approach to multi-label chest X-ray (CXR) image classification that enhances clinical interpretability while maintaining a streamlined, single-model, single-run training pipeline. Leveraging the CheXpert dataset and VisualCheXbert-derived labels, we incorporate hierarchical label groupings to capture clinically meaningful relationships between diagnoses. To achieve this, we designed a custom hierarchical binary cross-entropy (HBCE) loss function that enforces label dependencies using either fixed or data-driven penalty types. Our model achieved a mean area under the receiver operating characteristic curve (AUROC) of 0.903 on the test set. Additionally, we provide visual explanations and uncertainty estimations to further enhance model interpretability. All code, model configurations, and experiment details are made available.
This study addresses the growing concern of information asymmetry in consumer contracts, exacerbated by the proliferation of online services with complex Terms of Service that are rarely even read. Even though research on automatic analysis methods is conducted, the problem is aggravated by the general focus on English-language Machine Learning approaches and on major jurisdictions, such as the European Union. We introduce a new methodology and a substantial dataset addressing this gap. We propose a novel annotation scheme with four categories and a total of 20 classes, and apply it on 50 online Terms of Service used in Chile. Our evaluation of transformer-based models highlights how factors like language- and/or domain-specific pre-training, few-shot sample size, and model architecture affect the detection and classification of potentially abusive clauses. Results show a large variability in performance for the different tasks and models, with the highest macro-F1 scores for the detection task ranging from 79% to 89% and micro-F1 scores up to 96%, while macro-F1 scores for the classification task range from 60% to 70% and micro-F1 scores from 64% to 80%. Notably, this is the first Spanish-language multi-label classification dataset for legal clauses, applying Chilean law and offering a comprehensive evaluation of Spanish-language models in the legal domain. Our work lays the ground for future research in method development for rarely considered legal analysis and potentially leads to practical applications to support consumers in Chile and Latin America as a whole.
The deployment of deep learning models in critical domains necessitates a balance between high accuracy and interpretability. We introduce WASUP, an inherently interpretable neural network that provides local and global explanations of its decision-making process. We prove that these explanations are faithful by fulfilling established axioms for explanations. Leveraging the concept of case-based reasoning, WASUP extracts class-representative support vectors from training images, ensuring they capture relevant features while suppressing irrelevant ones. Classification decisions are made by calculating and aggregating similarity scores between these support vectors and the input's latent feature vector. We employ B-Cos transformations, which align model weights with inputs to enable faithful mappings of latent features back to the input space, facilitating local explanations in addition to global explanations of case-based reasoning. We evaluate WASUP on three tasks: fine-grained classification on Stanford Dogs, multi-label classification on Pascal VOC, and pathology detection on the RSNA dataset. Results indicate that WASUP not only achieves competitive accuracy compared to state-of-the-art black-box models but also offers insightful explanations verified through theoretical analysis. Our findings underscore WASUP's potential for applications where understanding model decisions is as critical as the decisions themselves.
Set function learning has emerged as a crucial area in machine learning, addressing the challenge of modeling functions that take sets as inputs. Unlike traditional machine learning that involves fixed-size input vectors where the order of features matters, set function learning demands methods that are invariant to permutations of the input set, presenting a unique and complex problem. This survey provides a comprehensive overview of the current development in set function learning, covering foundational theories, key methodologies, and diverse applications. We categorize and discuss existing approaches, focusing on deep learning approaches, such as DeepSets and Set Transformer based methods, as well as other notable alternative methods beyond deep learning, offering a complete view of current models. We also introduce various applications and relevant datasets, such as point cloud processing and multi-label classification, highlighting the significant progress achieved by set function learning methods in these domains. Finally, we conclude by summarizing the current state of set function learning approaches and identifying promising future research directions, aiming to guide and inspire further advancements in this promising field.
Website fingerprinting enables an eavesdropper to determine which websites a user is visiting over an encrypted connection. State-of-the-art website fingerprinting (WF) attacks have demonstrated effectiveness even against Tor-protected network traffic. However, existing WF attacks have critical limitations on accurately identifying websites in multi-tab browsing sessions, where the holistic pattern of individual websites is no longer preserved, and the number of tabs opened by a client is unknown a priori. In this paper, we propose ARES, a novel WF framework natively designed for multi-tab WF attacks. ARES formulates the multi-tab attack as a multi-label classification problem and solves it using the novel Transformer-based models. Specifically, ARES extracts local patterns based on multi-level traffic aggregation features and utilizes the improved self-attention mechanism to analyze the correlations between these local patterns, effectively identifying websites. We implement a prototype of ARES and extensively evaluate its effectiveness using our large-scale datasets collected over multiple months. The experimental results illustrate that ARES achieves optimal performance in several realistic scenarios. Further, ARES remains robust even against various WF defenses.
This paper presents AI Guide Dog (AIGD), a lightweight egocentric (first-person) navigation system for visually impaired users, designed for real-time deployment on smartphones. AIGD employs a vision-only multi-label classification approach to predict directional commands, ensuring safe navigation across diverse environments. We introduce a novel technique for goal-based outdoor navigation by integrating GPS signals and high-level directions, while also handling uncertain multi-path predictions for destination-free indoor navigation. As the first navigation assistance system to handle both goal-oriented and exploratory navigation across indoor and outdoor settings, AIGD establishes a new benchmark in blind navigation. We present methods, datasets, evaluations, and deployment insights to encourage further innovations in assistive navigation systems.
Multi-view multi-label classification (MvMLC) has recently garnered significant research attention due to its wide range of real-world applications. However, incompleteness in views and labels is a common challenge, often resulting from data collection oversights and uncertainties in manual annotation. Furthermore, the task of learning robust multi-view representations that are both view-consistent and view-specific from diverse views still a challenge problem in MvMLC. To address these issues, we propose a novel framework for incomplete multi-view multi-label classification (iMvMLC). Our method factorizes multi-view representations into two independent sets of factors: view-consistent and view-specific, and we correspondingly design a graph disentangling loss to fully reduce redundancy between these representations. Additionally, our framework innovatively decomposes consistent representation learning into three key sub-objectives: (i) how to extract view-shared information across different views, (ii) how to eliminate intra-view redundancy in consistent representations, and (iii) how to preserve task-relevant information. To this end, we design a robust task-relevant consistency learning module that collaboratively learns high-quality consistent representations, leveraging a masked cross-view prediction (MCP) strategy and information theory. Notably, all modules in our framework are developed to function effectively under conditions of incomplete views and labels, making our method adaptable to various multi-view and multi-label datasets. Extensive experiments on five datasets demonstrate that our method outperforms other leading approaches.
In business analysis, providing effective recommendations is essential for enhancing company profits. The utilization of graph-based structures, such as bipartite graphs, has gained popularity for their ability to analyze complex data relationships. Link prediction is crucial for recommending specific items to users. Traditional methods in this area often involve identifying patterns in the graph structure or using representational techniques like graph neural networks (GNNs). However, these approaches encounter difficulties as the volume of data increases. To address these challenges, we propose a model called Graph Contrastive Learning for Multi-label Classification (MCGCL). MCGCL leverages contrastive learning to enhance recommendation effectiveness. The model incorporates two training stages: a main task and a subtask. The main task is holistic user-item graph learning to capture user-item relationships. The homogeneous user-user (item-item) subgraph is constructed to capture user-user and item-item relationships in the subtask. We assessed the performance using real-world datasets from Amazon Reviews in multi-label classification tasks. Comparative experiments with state-of-the-art methods confirm the effectiveness of MCGCL, highlighting its potential for improving recommendation systems.
Predicting multiple functions labeled with Enzyme Commission (EC) numbers from the enzyme sequence is of great significance but remains a challenge due to its sparse multi-label classification nature, i.e., each enzyme is typically associated with only a few labels out of more than 6000 possible EC numbers. However, existing machine learning algorithms generally learn a fixed global representation for each enzyme to classify all functions, thereby they lack interpretability and the fine-grained information of some function-specific local residue fragments may be overwhelmed. Here we present an attention-based framework, namely ProtDETR (Protein Detection Transformer), by casting enzyme function prediction as a detection problem. It uses a set of learnable functional queries to adaptatively extract different local representations from the sequence of residue-level features for predicting different EC numbers. ProtDETR not only significantly outperforms existing deep learning-based enzyme function prediction methods, but also provides a new interpretable perspective on automatically detecting different local regions for identifying different functions through cross-attentions between queries and residue-level features. Code is available at https://github.com/yangzhao1230/ProtDETR.
Attribute classification is crucial for identifying specific characteristics within image regions. Vision-Language Models (VLMs) have been effective in zero-shot tasks by leveraging their general knowledge from large-scale datasets. Recent studies demonstrate that transformer-based models with class-wise queries can effectively address zero-shot multi-label classification. However, poor utilization of the relationship between seen and unseen attributes makes the model lack generalizability. Additionally, attribute classification generally involves many attributes, making maintaining the model's scalability difficult. To address these issues, we propose Super-class guided transFormer (SugaFormer), a novel framework that leverages super-classes to enhance scalability and generalizability for zero-shot attribute classification. SugaFormer employs Super-class Query Initialization (SQI) to reduce the number of queries, utilizing common semantic information from super-classes, and incorporates Multi-context Decoding (MD) to handle diverse visual cues. To strengthen generalizability, we introduce two knowledge transfer strategies that utilize VLMs. During training, Super-class guided Consistency Regularization (SCR) aligns model's features with VLMs using super-class guided prompts, and during inference, Zero-shot Retrieval-based Score Enhancement (ZRSE) refines predictions for unseen attributes. Extensive experiments demonstrate that SugaFormer achieves state-of-the-art performance across three widely-used attribute classification benchmarks under zero-shot, and cross-dataset transfer settings. Our code is available at https://github.com/mlvlab/SugaFormer.
Exploring the functions of genes and gene products is crucial to a wide range of fields, including medical research, evolutionary biology, and environmental science. However, discovering new functions largely relies on expensive and exhaustive wet lab experiments. Existing methods of automatic function annotation or prediction mainly focus on protein function prediction with sequence, 3D-structures or protein family information. In this study, we propose to tackle the gene function prediction problem by exploring Gene Ontology graph and annotation with BERT (GoBERT) to decipher the underlying relationships among gene functions. Our proposed novel function prediction task utilizes existing functions as inputs and generalizes the function prediction to gene and gene products. Specifically, two pre-train tasks are designed to jointly train GoBERT to capture both explicit and implicit relations of functions. Neighborhood prediction is a self-supervised multi-label classification task that captures the explicit function relations. Specified masking and recovering task helps GoBERT in finding implicit patterns among functions. The pre-trained GoBERT possess the ability to predict novel functions for various gene and gene products based on known functional annotations. Extensive experiments, biological case studies, and ablation studies are conducted to demonstrate the superiority of our proposed GoBERT.
Multi-label classification, which involves assigning multiple labels to a single input, has emerged as a key area in both research and industry due to its wide-ranging applications. Designing effective loss functions is crucial for optimizing deep neural networks for this task, as they significantly influence model performance and efficiency. Traditional loss functions, which often maximize likelihood under the assumption of label independence, may struggle to capture complex label relationships. Recent research has turned to supervised contrastive learning, a method that aims to create a structured representation space by bringing similar instances closer together and pushing dissimilar ones apart. Although contrastive learning offers a promising approach, applying it to multi-label classification presents unique challenges, particularly in managing label interactions and data structure. In this paper, we conduct an in-depth study of contrastive learning loss for multi-label classification across diverse settings. These include datasets with both small and large numbers of labels, datasets with varying amounts of training data, and applications in both computer vision and natural language processing. Our empirical results indicate that the promising outcomes of contrastive learning are attributable not only to the consideration of label interactions but also to the robust optimization scheme of the contrastive loss. Furthermore, while the supervised contrastive loss function faces challenges with datasets containing a small number of labels and ranking-based metrics, it demonstrates excellent performance, particularly in terms of Macro-F1, on datasets with a large number of labels.
As the volume of digital image data increases, the effectiveness of image classification intensifies. This study introduces a robust multi-label classification system designed to assign multiple labels to a single image, addressing the complexity of images that may be associated with multiple categories (ranging from 1 to 19, excluding 12). We propose a multi-modal classifier that merges advanced image recognition algorithms with Natural Language Processing (NLP) models, incorporating a fusion module to integrate these distinct modalities. The purpose of integrating textual data is to enhance the accuracy of label prediction by providing contextual understanding that visual analysis alone cannot fully capture. Our proposed classification model combines Convolutional Neural Networks (CNN) for image processing with NLP techniques for analyzing textual description (i.e., captions). This approach includes rigorous training and validation phases, with each model component verified and analyzed through ablation experiments. Preliminary results demonstrate the classifier's accuracy and efficiency, highlighting its potential as an automatic image-labeling system.
Significant advancements have been made in single label incremental learning (SLCIL),yet the more practical and challenging multi label class incremental learning (MLCIL) remains understudied. Recently,visual language models such as CLIP have achieved good results in classification tasks. However,directly using CLIP to solve MLCIL issue can lead to catastrophic forgetting. To tackle this issue, we integrate an improved data replay mechanism and prompt loss to curb knowledge forgetting. Specifically,our model enhances the prompt information to better adapt to multi-label classification tasks and employs confidence-based replay strategy to select representative samples. Moreover, the prompt loss significantly reduces the model's forgetting of previous knowledge. Experimental results demonstrate that our method has substantially improved the performance of MLCIL tasks across multiple benchmark datasets,validating its effectiveness.
Multi-label classification is a challenging task in pattern recognition. Many deep learning methods have been proposed and largely enhanced classification performance. However, most of the existing sophisticated methods ignore context in the models' learning process. Since context may provide additional cues to the learned models, it may significantly boost classification performances. In this work, we make full use of context information (namely geometrical structure of images) in order to learn better context-aware similarities (a.k.a. kernels) between images. We reformulate context-aware kernel design as a feed-forward network that outputs explicit kernel mapping features. Our obtained context-aware kernel network further leverages multiple orders of patch neighbors within different distances, resulting into a more discriminating Deep Multi-order Context-aware Kernel Network (DMCKN) for multi-label classification. We evaluate the proposed method on the challenging Corel5K and NUS-WIDE benchmarks, and empirical results show that our method obtains competitive performances against the related state-of-the-art, and both quantitative and qualitative performances corroborate its effectiveness and superiority for multi-label image classification.