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SubscribeIISE PG&E Energy Analytics Challenge 2025: Hourly-Binned Regression Models Beat Transformers in Load Forecasting
Accurate electricity load forecasting is essential for grid stability, resource optimization, and renewable energy integration. While transformer-based deep learning models like TimeGPT have gained traction in time-series forecasting, their effectiveness in long-term electricity load prediction remains uncertain. This study evaluates forecasting models ranging from classical regression techniques to advanced deep learning architectures using data from the ESD 2025 competition. The dataset includes two years of historical electricity load data, alongside temperature and global horizontal irradiance (GHI) across five sites, with a one-day-ahead forecasting horizon. Since actual test set load values remain undisclosed, leveraging predicted values would accumulate errors, making this a long-term forecasting challenge. We employ (i) Principal Component Analysis (PCA) for dimensionality reduction and (ii) frame the task as a regression problem, using temperature and GHI as covariates to predict load for each hour, (iii) ultimately stacking 24 models to generate yearly forecasts. Our results reveal that deep learning models, including TimeGPT, fail to consistently outperform simpler statistical and machine learning approaches due to the limited availability of training data and exogenous variables. In contrast, XGBoost, with minimal feature engineering, delivers the lowest error rates across all test cases while maintaining computational efficiency. This highlights the limitations of deep learning in long-term electricity forecasting and reinforces the importance of model selection based on dataset characteristics rather than complexity. Our study provides insights into practical forecasting applications and contributes to the ongoing discussion on the trade-offs between traditional and modern forecasting methods.
Too Few Bug Reports? Exploring Data Augmentation for Improved Changeset-based Bug Localization
Modern Deep Learning (DL) architectures based on transformers (e.g., BERT, RoBERTa) are exhibiting performance improvements across a number of natural language tasks. While such DL models have shown tremendous potential for use in software engineering applications, they are often hampered by insufficient training data. Particularly constrained are applications that require project-specific data, such as bug localization, which aims at recommending code to fix a newly submitted bug report. Deep learning models for bug localization require a substantial training set of fixed bug reports, which are at a limited quantity even in popular and actively developed software projects. In this paper, we examine the effect of using synthetic training data on transformer-based DL models that perform a more complex variant of bug localization, which has the goal of retrieving bug-inducing changesets for each bug report. To generate high-quality synthetic data, we propose novel data augmentation operators that act on different constituent components of bug reports. We also describe a data balancing strategy that aims to create a corpus of augmented bug reports that better reflects the entire source code base, because existing bug reports used as training data usually reference a small part of the code base.
Patient Trajectory Prediction: Integrating Clinical Notes with Transformers
Predicting disease trajectories from electronic health records (EHRs) is a complex task due to major challenges such as data non-stationarity, high granularity of medical codes, and integration of multimodal data. EHRs contain both structured data, such as diagnostic codes, and unstructured data, such as clinical notes, which hold essential information often overlooked. Current models, primarily based on structured data, struggle to capture the complete medical context of patients, resulting in a loss of valuable information. To address this issue, we propose an approach that integrates unstructured clinical notes into transformer-based deep learning models for sequential disease prediction. This integration enriches the representation of patients' medical histories, thereby improving the accuracy of diagnosis predictions. Experiments on MIMIC-IV datasets demonstrate that the proposed approach outperforms traditional models relying solely on structured data.
Transformer and Hybrid Deep Learning Based Models for Machine-Generated Text Detection
This paper describes the approach of the UniBuc - NLP team in tackling the SemEval 2024 Task 8: Multigenerator, Multidomain, and Multilingual Black-Box Machine-Generated Text Detection. We explored transformer-based and hybrid deep learning architectures. For subtask B, our transformer-based model achieved a strong second-place out of 77 teams with an accuracy of 86.95\%, demonstrating the architecture's suitability for this task. However, our models showed overfitting in subtask A which could potentially be fixed with less fine-tunning and increasing maximum sequence length. For subtask C (token-level classification), our hybrid model overfit during training, hindering its ability to detect transitions between human and machine-generated text.
Enhancing Fluorescence Lifetime Parameter Estimation Accuracy with Differential Transformer Based Deep Learning Model Incorporating Pixelwise Instrument Response Function
Fluorescence Lifetime Imaging (FLI) is a critical molecular imaging modality that provides unique information about the tissue microenvironment, which is invaluable for biomedical applications. FLI operates by acquiring and analyzing photon time-of-arrival histograms to extract quantitative parameters associated with temporal fluorescence decay. These histograms are influenced by the intrinsic properties of the fluorophore, instrument parameters, time-of-flight distributions associated with pixel-wise variations in the topographic and optical characteristics of the sample. Recent advancements in Deep Learning (DL) have enabled improved fluorescence lifetime parameter estimation. However, existing models are primarily designed for planar surface samples, limiting their applicability in translational scenarios involving complex surface profiles, such as in-vivo whole-animal or imaged guided surgical applications. To address this limitation, we present MFliNet (Macroscopic FLI Network), a novel DL architecture that integrates the Instrument Response Function (IRF) as an additional input alongside experimental photon time-of-arrival histograms. Leveraging the capabilities of a Differential Transformer encoder-decoder architecture, MFliNet effectively focuses on critical input features, such as variations in photon time-of-arrival distributions. We evaluate MFliNet using rigorously designed tissue-mimicking phantoms and preclinical in-vivo cancer xenograft models. Our results demonstrate the model's robustness and suitability for complex macroscopic FLI applications, offering new opportunities for advanced biomedical imaging in diverse and challenging settings.
Next Generation Multitarget Trackers: Random Finite Set Methods vs Transformer-based Deep Learning
Multitarget Tracking (MTT) is the problem of tracking the states of an unknown number of objects using noisy measurements, with important applications to autonomous driving, surveillance, robotics, and others. In the model-based Bayesian setting, there are conjugate priors that enable us to express the multi-object posterior in closed form, which could theoretically provide Bayes-optimal estimates. However, the posterior involves a super-exponential growth of the number of hypotheses over time, forcing state-of-the-art methods to resort to approximations for remaining tractable, which can impact their performance in complex scenarios. Model-free methods based on deep-learning provide an attractive alternative, as they can, in principle, learn the optimal filter from data, but to the best of our knowledge were never compared to current state-of-the-art Bayesian filters, specially not in contexts where accurate models are available. In this paper, we propose a high-performing deep-learning method for MTT based on the Transformer architecture and compare it to two state-of-the-art Bayesian filters, in a setting where we assume the correct model is provided. Although this gives an edge to the model-based filters, it also allows us to generate unlimited training data. We show that the proposed model outperforms state-of-the-art Bayesian filters in complex scenarios, while matching their performance in simpler cases, which validates the applicability of deep-learning also in the model-based regime. The code for all our implementations is made available at https://github.com/JulianoLagana/MT3 .
Gluformer: Transformer-Based Personalized Glucose Forecasting with Uncertainty Quantification
Deep learning models achieve state-of-the art results in predicting blood glucose trajectories, with a wide range of architectures being proposed. However, the adaptation of such models in clinical practice is slow, largely due to the lack of uncertainty quantification of provided predictions. In this work, we propose to model the future glucose trajectory conditioned on the past as an infinite mixture of basis distributions (i.e., Gaussian, Laplace, etc.). This change allows us to learn the uncertainty and predict more accurately in the cases when the trajectory has a heterogeneous or multi-modal distribution. To estimate the parameters of the predictive distribution, we utilize the Transformer architecture. We empirically demonstrate the superiority of our method over existing state-of-the-art techniques both in terms of accuracy and uncertainty on the synthetic and benchmark glucose data sets.
Target Specific De Novo Design of Drug Candidate Molecules with Graph Transformer-based Generative Adversarial Networks
Discovering novel drug candidate molecules is one of the most fundamental and critical steps in drug development. Generative deep learning models, which create synthetic data given a probability distribution, offer a high potential for designing de novo molecules. However, to be utilisable in real life drug development pipelines, these models should be able to design drug like and target centric molecules. In this study, we propose an end to end generative system, DrugGEN, for the de novo design of drug candidate molecules that interact with intended target proteins. The proposed method represents molecules as graphs and processes them via a generative adversarial network comprising graph transformer layers. The system is trained using a large dataset of drug like compounds and target specific bioactive molecules to design effective inhibitory molecules against the AKT1 protein, which is critically important in developing treatments for various types of cancer. We conducted molecular docking and dynamics to assess the target centric generation performance of the model, as well as attention score visualisation to examine model interpretability. In parallel, selected compounds were chemically synthesised and evaluated in the context of in vitro enzymatic assays, which identified two bioactive molecules that inhibited AKT1 at low micromolar concentrations. These results indicate that DrugGEN's de novo molecules have a high potential for interacting with the AKT1 protein at the level of its native ligands. Using the open access DrugGEN codebase, it is possible to easily train models for other druggable proteins, given a dataset of experimentally known bioactive molecules.
SegDT: A Diffusion Transformer-Based Segmentation Model for Medical Imaging
Medical image segmentation is crucial for many healthcare tasks, including disease diagnosis and treatment planning. One key area is the segmentation of skin lesions, which is vital for diagnosing skin cancer and monitoring patients. In this context, this paper introduces SegDT, a new segmentation model based on diffusion transformer (DiT). SegDT is designed to work on low-cost hardware and incorporates Rectified Flow, which improves the generation quality at reduced inference steps and maintains the flexibility of standard diffusion models. Our method is evaluated on three benchmarking datasets and compared against several existing works, achieving state-of-the-art results while maintaining fast inference speeds. This makes the proposed model appealing for real-world medical applications. This work advances the performance and capabilities of deep learning models in medical image analysis, enabling faster, more accurate diagnostic tools for healthcare professionals. The code is made publicly available at https://github.com/Bekhouche/SegDT{GitHub}.
Efficient Transformer-based 3D Object Detection with Dynamic Token Halting
Balancing efficiency and accuracy is a long-standing problem for deploying deep learning models. The trade-off is even more important for real-time safety-critical systems like autonomous vehicles. In this paper, we propose an effective approach for accelerating transformer-based 3D object detectors by dynamically halting tokens at different layers depending on their contribution to the detection task. Although halting a token is a non-differentiable operation, our method allows for differentiable end-to-end learning by leveraging an equivalent differentiable forward-pass. Furthermore, our framework allows halted tokens to be reused to inform the model's predictions through a straightforward token recycling mechanism. Our method significantly improves the Pareto frontier of efficiency versus accuracy when compared with the existing approaches. By halting tokens and increasing model capacity, we are able to improve the baseline model's performance without increasing the model's latency on the Waymo Open Dataset.
Emotion Classification in a Resource Constrained Language Using Transformer-based Approach
Although research on emotion classification has significantly progressed in high-resource languages, it is still infancy for resource-constrained languages like Bengali. However, unavailability of necessary language processing tools and deficiency of benchmark corpora makes the emotion classification task in Bengali more challenging and complicated. This work proposes a transformer-based technique to classify the Bengali text into one of the six basic emotions: anger, fear, disgust, sadness, joy, and surprise. A Bengali emotion corpus consists of 6243 texts is developed for the classification task. Experimentation carried out using various machine learning (LR, RF, MNB, SVM), deep neural networks (CNN, BiLSTM, CNN+BiLSTM) and transformer (Bangla-BERT, m-BERT, XLM-R) based approaches. Experimental outcomes indicate that XLM-R outdoes all other techniques by achieving the highest weighted f_1-score of 69.73% on the test data. The dataset is publicly available at https://github.com/omar-sharif03/NAACL-SRW-2021.
CodeTF: One-stop Transformer Library for State-of-the-art Code LLM
Code intelligence plays a key role in transforming modern software engineering. Recently, deep learning-based models, especially Transformer-based large language models (LLMs), have demonstrated remarkable potential in tackling these tasks by leveraging massive open-source code data and programming language features. However, the development and deployment of such models often require expertise in both machine learning and software engineering, creating a barrier for the model adoption. In this paper, we present CodeTF, an open-source Transformer-based library for state-of-the-art Code LLMs and code intelligence. Following the principles of modular design and extensible framework, we design CodeTF with a unified interface to enable rapid access and development across different types of models, datasets and tasks. Our library supports a collection of pretrained Code LLM models and popular code benchmarks, including a standardized interface to train and serve code LLMs efficiently, and data features such as language-specific parsers and utility functions for extracting code attributes. In this paper, we describe the design principles, the architecture, key modules and components, and compare with other related library tools. Finally, we hope CodeTF is able to bridge the gap between machine learning/generative AI and software engineering, providing a comprehensive open-source solution for developers, researchers, and practitioners.
AQUA20: A Benchmark Dataset for Underwater Species Classification under Challenging Conditions
Robust visual recognition in underwater environments remains a significant challenge due to complex distortions such as turbidity, low illumination, and occlusion, which severely degrade the performance of standard vision systems. This paper introduces AQUA20, a comprehensive benchmark dataset comprising 8,171 underwater images across 20 marine species reflecting real-world environmental challenges such as illumination, turbidity, occlusions, etc., providing a valuable resource for underwater visual understanding. Thirteen state-of-the-art deep learning models, including lightweight CNNs (SqueezeNet, MobileNetV2) and transformer-based architectures (ViT, ConvNeXt), were evaluated to benchmark their performance in classifying marine species under challenging conditions. Our experimental results show ConvNeXt achieving the best performance, with a Top-3 accuracy of 98.82% and a Top-1 accuracy of 90.69%, as well as the highest overall F1-score of 88.92% with moderately large parameter size. The results obtained from our other benchmark models also demonstrate trade-offs between complexity and performance. We also provide an extensive explainability analysis using GRAD-CAM and LIME for interpreting the strengths and pitfalls of the models. Our results reveal substantial room for improvement in underwater species recognition and demonstrate the value of AQUA20 as a foundation for future research in this domain. The dataset is publicly available at: https://huggingface.co/datasets/taufiktrf/AQUA20.
NoteContrast: Contrastive Language-Diagnostic Pretraining for Medical Text
Accurate diagnostic coding of medical notes is crucial for enhancing patient care, medical research, and error-free billing in healthcare organizations. Manual coding is a time-consuming task for providers, and diagnostic codes often exhibit low sensitivity and specificity, whereas the free text in medical notes can be a more precise description of a patients status. Thus, accurate automated diagnostic coding of medical notes has become critical for a learning healthcare system. Recent developments in long-document transformer architectures have enabled attention-based deep-learning models to adjudicate medical notes. In addition, contrastive loss functions have been used to jointly pre-train large language and image models with noisy labels. To further improve the automated adjudication of medical notes, we developed an approach based on i) models for ICD-10 diagnostic code sequences using a large real-world data set, ii) large language models for medical notes, and iii) contrastive pre-training to build an integrated model of both ICD-10 diagnostic codes and corresponding medical text. We demonstrate that a contrastive approach for pre-training improves performance over prior state-of-the-art models for the MIMIC-III-50, MIMIC-III-rare50, and MIMIC-III-full diagnostic coding tasks.
Hate and Offensive Speech Detection in Hindi and Marathi
Sentiment analysis is the most basic NLP task to determine the polarity of text data. There has been a significant amount of work in the area of multilingual text as well. Still hate and offensive speech detection faces a challenge due to inadequate availability of data, especially for Indian languages like Hindi and Marathi. In this work, we consider hate and offensive speech detection in Hindi and Marathi texts. The problem is formulated as a text classification task using the state of the art deep learning approaches. We explore different deep learning architectures like CNN, LSTM, and variations of BERT like multilingual BERT, IndicBERT, and monolingual RoBERTa. The basic models based on CNN and LSTM are augmented with fast text word embeddings. We use the HASOC 2021 Hindi and Marathi hate speech datasets to compare these algorithms. The Marathi dataset consists of binary labels and the Hindi dataset consists of binary as well as more-fine grained labels. We show that the transformer-based models perform the best and even the basic models along with FastText embeddings give a competitive performance. Moreover, with normal hyper-parameter tuning, the basic models perform better than BERT-based models on the fine-grained Hindi dataset.
FEMBA: Efficient and Scalable EEG Analysis with a Bidirectional Mamba Foundation Model
Accurate and efficient electroencephalography (EEG) analysis is essential for detecting seizures and artifacts in long-term monitoring, with applications spanning hospital diagnostics to wearable health devices. Robust EEG analytics have the potential to greatly improve patient care. However, traditional deep learning models, especially Transformer-based architectures, are hindered by their quadratic time and memory complexity, making them less suitable for resource-constrained environments. To address these challenges, we present FEMBA (Foundational EEG Mamba + Bidirectional Architecture), a novel self-supervised framework that establishes new efficiency benchmarks for EEG analysis through bidirectional state-space modeling. Unlike Transformer-based models, which incur quadratic time and memory complexity, FEMBA scales linearly with sequence length, enabling more scalable and efficient processing of extended EEG recordings. Trained on over 21,000 hours of unlabeled EEG and fine-tuned on three downstream tasks, FEMBA achieves competitive performance in comparison with transformer models, with significantly lower computational cost. Specifically, it reaches 81.82% balanced accuracy (0.8921 AUROC) on TUAB and 0.949 AUROC on TUAR, while a tiny 7.8M-parameter variant demonstrates viability for resource-constrained devices. These results pave the way for scalable, general-purpose EEG analytics in both clinical and highlight FEMBA as a promising candidate for wearable applications.
Optimizing Deep Learning Models to Address Class Imbalance in Code Comment Classification
Developers rely on code comments to document their work, track issues, and understand the source code. As such, comments provide valuable insights into developers' understanding of their code and describe their various intentions in writing the surrounding code. Recent research leverages natural language processing and deep learning to classify comments based on developers' intentions. However, such labelled data are often imbalanced, causing learning models to perform poorly. This work investigates the use of different weighting strategies of the loss function to mitigate the scarcity of certain classes in the dataset. In particular, various RoBERTa-based transformer models are fine-tuned by means of a hyperparameter search to identify their optimal parameter configurations. Additionally, we fine-tuned the transformers with different weighting strategies for the loss function to address class imbalances. Our approach outperforms the STACC baseline by 8.9 per cent on the NLBSE'25 Tool Competition dataset in terms of the average F1_c score, and exceeding the baseline approach in 17 out of 19 cases with a gain ranging from -5.0 to 38.2. The source code is publicly available at https://github.com/moritzmock/NLBSE2025.
Pop Music Transformer: Beat-based Modeling and Generation of Expressive Pop Piano Compositions
A great number of deep learning based models have been recently proposed for automatic music composition. Among these models, the Transformer stands out as a prominent approach for generating expressive classical piano performance with a coherent structure of up to one minute. The model is powerful in that it learns abstractions of data on its own, without much human-imposed domain knowledge or constraints. In contrast with this general approach, this paper shows that Transformers can do even better for music modeling, when we improve the way a musical score is converted into the data fed to a Transformer model. In particular, we seek to impose a metrical structure in the input data, so that Transformers can be more easily aware of the beat-bar-phrase hierarchical structure in music. The new data representation maintains the flexibility of local tempo changes, and provides hurdles to control the rhythmic and harmonic structure of music. With this approach, we build a Pop Music Transformer that composes Pop piano music with better rhythmic structure than existing Transformer models.
Multilingual is not enough: BERT for Finnish
Deep learning-based language models pretrained on large unannotated text corpora have been demonstrated to allow efficient transfer learning for natural language processing, with recent approaches such as the transformer-based BERT model advancing the state of the art across a variety of tasks. While most work on these models has focused on high-resource languages, in particular English, a number of recent efforts have introduced multilingual models that can be fine-tuned to address tasks in a large number of different languages. However, we still lack a thorough understanding of the capabilities of these models, in particular for lower-resourced languages. In this paper, we focus on Finnish and thoroughly evaluate the multilingual BERT model on a range of tasks, comparing it with a new Finnish BERT model trained from scratch. The new language-specific model is shown to systematically and clearly outperform the multilingual. While the multilingual model largely fails to reach the performance of previously proposed methods, the custom Finnish BERT model establishes new state-of-the-art results on all corpora for all reference tasks: part-of-speech tagging, named entity recognition, and dependency parsing. We release the model and all related resources created for this study with open licenses at https://turkunlp.org/finbert .
Application of Deep Learning in Generating Structured Radiology Reports: A Transformer-Based Technique
Since radiology reports needed for clinical practice and research are written and stored in free-text narrations, extraction of relative information for further analysis is difficult. In these circumstances, natural language processing (NLP) techniques can facilitate automatic information extraction and transformation of free-text formats to structured data. In recent years, deep learning (DL)-based models have been adapted for NLP experiments with promising results. Despite the significant potential of DL models based on artificial neural networks (ANN) and convolutional neural networks (CNN), the models face some limitations to implement in clinical practice. Transformers, another new DL architecture, have been increasingly applied to improve the process. Therefore, in this study, we propose a transformer-based fine-grained named entity recognition (NER) architecture for clinical information extraction. We collected 88 abdominopelvic sonography reports in free-text formats and annotated them based on our developed information schema. The text-to-text transfer transformer model (T5) and Scifive, a pre-trained domain-specific adaptation of the T5 model, were applied for fine-tuning to extract entities and relations and transform the input into a structured format. Our transformer-based model in this study outperformed previously applied approaches such as ANN and CNN models based on ROUGE-1, ROUGE-2, ROUGE-L, and BLEU scores of 0.816, 0.668, 0.528, and 0.743, respectively, while providing an interpretable structured report.
Fine-tuning Transformer-based Encoder for Turkish Language Understanding Tasks
Deep learning-based and lately Transformer-based language models have been dominating the studies of natural language processing in the last years. Thanks to their accurate and fast fine-tuning characteristics, they have outperformed traditional machine learning-based approaches and achieved state-of-the-art results for many challenging natural language understanding (NLU) problems. Recent studies showed that the Transformer-based models such as BERT, which is Bidirectional Encoder Representations from Transformers, have reached impressive achievements on many tasks. Moreover, thanks to their transfer learning capacity, these architectures allow us to transfer pre-built models and fine-tune them to specific NLU tasks such as question answering. In this study, we provide a Transformer-based model and a baseline benchmark for the Turkish Language. We successfully fine-tuned a Turkish BERT model, namely BERTurk that is trained with base settings, to many downstream tasks and evaluated with a the Turkish Benchmark dataset. We showed that our studies significantly outperformed other existing baseline approaches for Named-Entity Recognition, Sentiment Analysis, Question Answering and Text Classification in Turkish Language. We publicly released these four fine-tuned models and resources in reproducibility and with the view of supporting other Turkish researchers and applications.
Transformer-Based Multi-Object Smoothing with Decoupled Data Association and Smoothing
Multi-object tracking (MOT) is the task of estimating the state trajectories of an unknown and time-varying number of objects over a certain time window. Several algorithms have been proposed to tackle the multi-object smoothing task, where object detections can be conditioned on all the measurements in the time window. However, the best-performing methods suffer from intractable computational complexity and require approximations, performing suboptimally in complex settings. Deep learning based algorithms are a possible venue for tackling this issue but have not been applied extensively in settings where accurate multi-object models are available and measurements are low-dimensional. We propose a novel DL architecture specifically tailored for this setting that decouples the data association task from the smoothing task. We compare the performance of the proposed smoother to the state-of-the-art in different tasks of varying difficulty and provide, to the best of our knowledge, the first comparison between traditional Bayesian trackers and DL trackers in the smoothing problem setting.
An Efficient Sparse Inference Software Accelerator for Transformer-based Language Models on CPUs
In recent years, Transformer-based language models have become the standard approach for natural language processing tasks. However, stringent throughput and latency requirements in industrial applications are limiting their adoption. To mitigate the gap, model compression techniques such as structured pruning are being used to improve inference efficiency. However, most existing neural network inference runtimes lack adequate support for structured sparsity. In this paper, we propose an efficient sparse deep learning inference software stack for Transformer-based language models where the weights are pruned with constant block size. Our sparse software accelerator leverages Intel Deep Learning Boost to maximize the performance of sparse matrix - dense matrix multiplication (commonly abbreviated as SpMM) on CPUs. Our SpMM kernel outperforms the existing sparse libraries (oneMKL, TVM, and LIBXSMM) by an order of magnitude on a wide range of GEMM shapes under 5 representative sparsity ratios (70%, 75%, 80%, 85%, 90%). Moreover, our SpMM kernel shows up to 5x speedup over dense GEMM kernel of oneDNN, a well-optimized dense library widely used in industry. We apply our sparse accelerator on widely-used Transformer-based language models including Bert-Mini, DistilBERT, Bert-Base, and BERT-Large. Our sparse inference software shows up to 1.5x speedup over Neural Magic's Deepsparse under same configurations on Xeon on Amazon Web Services under proxy production latency constraints. We also compare our solution with two framework-based inference solutions, ONNX Runtime and PyTorch, and demonstrate up to 37x speedup over ONNX Runtime and 345x over PyTorch on Xeon under the latency constraints. All the source code is publicly available on Github: https://github.com/intel/intel-extension-for-transformers.
Deep Transformer Models for Time Series Forecasting: The Influenza Prevalence Case
In this paper, we present a new approach to time series forecasting. Time series data are prevalent in many scientific and engineering disciplines. Time series forecasting is a crucial task in modeling time series data, and is an important area of machine learning. In this work we developed a novel method that employs Transformer-based machine learning models to forecast time series data. This approach works by leveraging self-attention mechanisms to learn complex patterns and dynamics from time series data. Moreover, it is a generic framework and can be applied to univariate and multivariate time series data, as well as time series embeddings. Using influenza-like illness (ILI) forecasting as a case study, we show that the forecasting results produced by our approach are favorably comparable to the state-of-the-art.
Analysis of the Evolution of Advanced Transformer-Based Language Models: Experiments on Opinion Mining
Opinion mining, also known as sentiment analysis, is a subfield of natural language processing (NLP) that focuses on identifying and extracting subjective information in textual material. This can include determining the overall sentiment of a piece of text (e.g., positive or negative), as well as identifying specific emotions or opinions expressed in the text, that involves the use of advanced machine and deep learning techniques. Recently, transformer-based language models make this task of human emotion analysis intuitive, thanks to the attention mechanism and parallel computation. These advantages make such models very powerful on linguistic tasks, unlike recurrent neural networks that spend a lot of time on sequential processing, making them prone to fail when it comes to processing long text. The scope of our paper aims to study the behaviour of the cutting-edge Transformer-based language models on opinion mining and provide a high-level comparison between them to highlight their key particularities. Additionally, our comparative study shows leads and paves the way for production engineers regarding the approach to focus on and is useful for researchers as it provides guidelines for future research subjects.
Transformer-based Vulnerability Detection in Code at EditTime: Zero-shot, Few-shot, or Fine-tuning?
Software vulnerabilities bear enterprises significant costs. Despite extensive efforts in research and development of software vulnerability detection methods, uncaught vulnerabilities continue to put software owners and users at risk. Many current vulnerability detection methods require that code snippets can compile and build before attempting detection. This, unfortunately, introduces a long latency between the time a vulnerability is injected to the time it is removed, which can substantially increases the cost of fixing a vulnerability. We recognize that the current advances in machine learning can be used to detect vulnerable code patterns on syntactically incomplete code snippets as the developer is writing the code at EditTime. In this paper we present a practical system that leverages deep learning on a large-scale data set of vulnerable code patterns to learn complex manifestations of more than 250 vulnerability types and detect vulnerable code patterns at EditTime. We discuss zero-shot, few-shot, and fine-tuning approaches on state of the art pre-trained Large Language Models (LLMs). We show that in comparison with state of the art vulnerability detection models our approach improves the state of the art by 10%. We also evaluate our approach to detect vulnerability in auto-generated code by code LLMs. Evaluation on a benchmark of high-risk code scenarios shows a reduction of up to 90% vulnerability reduction.
REDAffectiveLM: Leveraging Affect Enriched Embedding and Transformer-based Neural Language Model for Readers' Emotion Detection
Technological advancements in web platforms allow people to express and share emotions towards textual write-ups written and shared by others. This brings about different interesting domains for analysis; emotion expressed by the writer and emotion elicited from the readers. In this paper, we propose a novel approach for Readers' Emotion Detection from short-text documents using a deep learning model called REDAffectiveLM. Within state-of-the-art NLP tasks, it is well understood that utilizing context-specific representations from transformer-based pre-trained language models helps achieve improved performance. Within this affective computing task, we explore how incorporating affective information can further enhance performance. Towards this, we leverage context-specific and affect enriched representations by using a transformer-based pre-trained language model in tandem with affect enriched Bi-LSTM+Attention. For empirical evaluation, we procure a new dataset REN-20k, besides using RENh-4k and SemEval-2007. We evaluate the performance of our REDAffectiveLM rigorously across these datasets, against a vast set of state-of-the-art baselines, where our model consistently outperforms baselines and obtains statistically significant results. Our results establish that utilizing affect enriched representation along with context-specific representation within a neural architecture can considerably enhance readers' emotion detection. Since the impact of affect enrichment specifically in readers' emotion detection isn't well explored, we conduct a detailed analysis over affect enriched Bi-LSTM+Attention using qualitative and quantitative model behavior evaluation techniques. We observe that compared to conventional semantic embedding, affect enriched embedding increases ability of the network to effectively identify and assign weightage to key terms responsible for readers' emotion detection.
Mamba-Based Ensemble learning for White Blood Cell Classification
White blood cell (WBC) classification assists in assessing immune health and diagnosing various diseases, yet manual classification is labor-intensive and prone to inconsistencies. Recent advancements in deep learning have shown promise over traditional methods; however, challenges such as data imbalance and the computational demands of modern technologies, such as Transformer-based models which do not scale well with input size, limit their practical application. This paper introduces a novel framework that leverages Mamba models integrated with ensemble learning to improve WBC classification. Mamba models, known for their linear complexity, provide a scalable alternative to Transformer-based approaches, making them suitable for deployment in resource-constrained environments. Additionally, we introduce a new WBC dataset, Chula-WBC-8, for benchmarking. Our approach not only validates the effectiveness of Mamba models in this domain but also demonstrates their potential to significantly enhance classification efficiency without compromising accuracy. The source code can be found at https://github.com/LewisClifton/Mamba-WBC-Classification.
L3Cube-MahaSocialNER: A Social Media based Marathi NER Dataset and BERT models
This work introduces the L3Cube-MahaSocialNER dataset, the first and largest social media dataset specifically designed for Named Entity Recognition (NER) in the Marathi language. The dataset comprises 18,000 manually labeled sentences covering eight entity classes, addressing challenges posed by social media data, including non-standard language and informal idioms. Deep learning models, including CNN, LSTM, BiLSTM, and Transformer models, are evaluated on the individual dataset with IOB and non-IOB notations. The results demonstrate the effectiveness of these models in accurately recognizing named entities in Marathi informal text. The L3Cube-MahaSocialNER dataset offers user-centric information extraction and supports real-time applications, providing a valuable resource for public opinion analysis, news, and marketing on social media platforms. We also show that the zero-shot results of the regular NER model are poor on the social NER test set thus highlighting the need for more social NER datasets. The datasets and models are publicly available at https://github.com/l3cube-pune/MarathiNLP
A Comprehensive Survey on Applications of Transformers for Deep Learning Tasks
Transformer is a deep neural network that employs a self-attention mechanism to comprehend the contextual relationships within sequential data. Unlike conventional neural networks or updated versions of Recurrent Neural Networks (RNNs) such as Long Short-Term Memory (LSTM), transformer models excel in handling long dependencies between input sequence elements and enable parallel processing. As a result, transformer-based models have attracted substantial interest among researchers in the field of artificial intelligence. This can be attributed to their immense potential and remarkable achievements, not only in Natural Language Processing (NLP) tasks but also in a wide range of domains, including computer vision, audio and speech processing, healthcare, and the Internet of Things (IoT). Although several survey papers have been published highlighting the transformer's contributions in specific fields, architectural differences, or performance evaluations, there is still a significant absence of a comprehensive survey paper encompassing its major applications across various domains. Therefore, we undertook the task of filling this gap by conducting an extensive survey of proposed transformer models from 2017 to 2022. Our survey encompasses the identification of the top five application domains for transformer-based models, namely: NLP, Computer Vision, Multi-Modality, Audio and Speech Processing, and Signal Processing. We analyze the impact of highly influential transformer-based models in these domains and subsequently classify them based on their respective tasks using a proposed taxonomy. Our aim is to shed light on the existing potential and future possibilities of transformers for enthusiastic researchers, thus contributing to the broader understanding of this groundbreaking technology.
State-of-the-Art Transformer Models for Image Super-Resolution: Techniques, Challenges, and Applications
Image Super-Resolution (SR) aims to recover a high-resolution image from its low-resolution counterpart, which has been affected by a specific degradation process. This is achieved by enhancing detail and visual quality. Recent advancements in transformer-based methods have remolded image super-resolution by enabling high-quality reconstructions surpassing previous deep-learning approaches like CNN and GAN-based. This effectively addresses the limitations of previous methods, such as limited receptive fields, poor global context capture, and challenges in high-frequency detail recovery. Additionally, the paper reviews recent trends and advancements in transformer-based SR models, exploring various innovative techniques and architectures that combine transformers with traditional networks to balance global and local contexts. These neoteric methods are critically analyzed, revealing promising yet unexplored gaps and potential directions for future research. Several visualizations of models and techniques are included to foster a holistic understanding of recent trends. This work seeks to offer a structured roadmap for researchers at the forefront of deep learning, specifically exploring the impact of transformers on super-resolution techniques.
Modeling and design of heterogeneous hierarchical bioinspired spider web structures using generative deep learning and additive manufacturing
Spider webs are incredible biological structures, comprising thin but strong silk filament and arranged into complex hierarchical architectures with striking mechanical properties (e.g., lightweight but high strength, achieving diverse mechanical responses). While simple 2D orb webs can easily be mimicked, the modeling and synthesis of 3D-based web structures remain challenging, partly due to the rich set of design features. Here we provide a detailed analysis of the heterogenous graph structures of spider webs, and use deep learning as a way to model and then synthesize artificial, bio-inspired 3D web structures. The generative AI models are conditioned based on key geometric parameters (including average edge length, number of nodes, average node degree, and others). To identify graph construction principles, we use inductive representation sampling of large experimentally determined spider web graphs, to yield a dataset that is used to train three conditional generative models: 1) An analog diffusion model inspired by nonequilibrium thermodynamics, with sparse neighbor representation, 2) a discrete diffusion model with full neighbor representation, and 3) an autoregressive transformer architecture with full neighbor representation. All three models are scalable, produce complex, de novo bio-inspired spider web mimics, and successfully construct graphs that meet the design objectives. We further propose algorithm that assembles web samples produced by the generative models into larger-scale structures based on a series of geometric design targets, including helical and parametric shapes, mimicking, and extending natural design principles towards integration with diverging engineering objectives. Several webs are manufactured using 3D printing and tested to assess mechanical properties.
FP8 Formats for Deep Learning
FP8 is a natural progression for accelerating deep learning training inference beyond the 16-bit formats common in modern processors. In this paper we propose an 8-bit floating point (FP8) binary interchange format consisting of two encodings - E4M3 (4-bit exponent and 3-bit mantissa) and E5M2 (5-bit exponent and 2-bit mantissa). While E5M2 follows IEEE 754 conventions for representatio of special values, E4M3's dynamic range is extended by not representing infinities and having only one mantissa bit-pattern for NaNs. We demonstrate the efficacy of the FP8 format on a variety of image and language tasks, effectively matching the result quality achieved by 16-bit training sessions. Our study covers the main modern neural network architectures - CNNs, RNNs, and Transformer-based models, leaving all the hyperparameters unchanged from the 16-bit baseline training sessions. Our training experiments include large, up to 175B parameter, language models. We also examine FP8 post-training-quantization of language models trained using 16-bit formats that resisted fixed point int8 quantization.
BOLD: Boolean Logic Deep Learning
Deep learning is computationally intensive, with significant efforts focused on reducing arithmetic complexity, particularly regarding energy consumption dominated by data movement. While existing literature emphasizes inference, training is considerably more resource-intensive. This paper proposes a novel mathematical principle by introducing the notion of Boolean variation such that neurons made of Boolean weights and inputs can be trained -- for the first time -- efficiently in Boolean domain using Boolean logic instead of gradient descent and real arithmetic. We explore its convergence, conduct extensively experimental benchmarking, and provide consistent complexity evaluation by considering chip architecture, memory hierarchy, dataflow, and arithmetic precision. Our approach achieves baseline full-precision accuracy in ImageNet classification and surpasses state-of-the-art results in semantic segmentation, with notable performance in image super-resolution, and natural language understanding with transformer-based models. Moreover, it significantly reduces energy consumption during both training and inference.
A Review of Hybrid and Ensemble in Deep Learning for Natural Language Processing
This review presents a comprehensive exploration of hybrid and ensemble deep learning models within Natural Language Processing (NLP), shedding light on their transformative potential across diverse tasks such as Sentiment Analysis, Named Entity Recognition, Machine Translation, Question Answering, Text Classification, Generation, Speech Recognition, Summarization, and Language Modeling. The paper systematically introduces each task, delineates key architectures from Recurrent Neural Networks (RNNs) to Transformer-based models like BERT, and evaluates their performance, challenges, and computational demands. The adaptability of ensemble techniques is emphasized, highlighting their capacity to enhance various NLP applications. Challenges in implementation, including computational overhead, overfitting, and model interpretation complexities, are addressed alongside the trade-off between interpretability and performance. Serving as a concise yet invaluable guide, this review synthesizes insights into tasks, architectures, and challenges, offering a holistic perspective for researchers and practitioners aiming to advance language-driven applications through ensemble deep learning in NLP.
A logical-based corpus for cross-lingual evaluation
At present, different deep learning models are presenting high accuracy on popular inference datasets such as SNLI, MNLI, and SciTail. However, there are different indicators that those datasets can be exploited by using some simple linguistic patterns. This fact poses difficulties to our understanding of the actual capacity of machine learning models to solve the complex task of textual inference. We propose a new set of syntactic tasks focused on contradiction detection that require specific capacities over linguistic logical forms such as: Boolean coordination, quantifiers, definite description, and counting operators. We evaluate two kinds of deep learning models that implicitly exploit language structure: recurrent models and the Transformer network BERT. We show that although BERT is clearly more efficient to generalize over most logical forms, there is space for improvement when dealing with counting operators. Since the syntactic tasks can be implemented in different languages, we show a successful case of cross-lingual transfer learning between English and Portuguese.
GreekT5: A Series of Greek Sequence-to-Sequence Models for News Summarization
Text summarization (TS) is a natural language processing (NLP) subtask pertaining to the automatic formulation of a concise and coherent summary that covers the major concepts and topics from one or multiple documents. Recent advancements in deep learning have led to the development of abstractive summarization transformer-based models, which outperform classical approaches. In any case, research in this field focuses on high resource languages such as English, while the corresponding work for low resource languages is still underdeveloped. Taking the above into account, this paper proposes a series of novel TS models for Greek news articles. The proposed models were thoroughly evaluated on the same dataset against GreekBART, which is the state-of-the-art model in Greek abstractive news summarization. Our evaluation results reveal that most of the proposed models significantly outperform GreekBART on various evaluation metrics. We make our evaluation code public, aiming to increase the reproducibility of this work and facilitate future research in the field.
Evaluating Large Language Models for Anxiety and Depression Classification using Counseling and Psychotherapy Transcripts
We aim to evaluate the efficacy of traditional machine learning and large language models (LLMs) in classifying anxiety and depression from long conversational transcripts. We fine-tune both established transformer models (BERT, RoBERTa, Longformer) and more recent large models (Mistral-7B), trained a Support Vector Machine with feature engineering, and assessed GPT models through prompting. We observe that state-of-the-art models fail to enhance classification outcomes compared to traditional machine learning methods.
Masked Image Training for Generalizable Deep Image Denoising
When capturing and storing images, devices inevitably introduce noise. Reducing this noise is a critical task called image denoising. Deep learning has become the de facto method for image denoising, especially with the emergence of Transformer-based models that have achieved notable state-of-the-art results on various image tasks. However, deep learning-based methods often suffer from a lack of generalization ability. For example, deep models trained on Gaussian noise may perform poorly when tested on other noise distributions. To address this issue, we present a novel approach to enhance the generalization performance of denoising networks, known as masked training. Our method involves masking random pixels of the input image and reconstructing the missing information during training. We also mask out the features in the self-attention layers to avoid the impact of training-testing inconsistency. Our approach exhibits better generalization ability than other deep learning models and is directly applicable to real-world scenarios. Additionally, our interpretability analysis demonstrates the superiority of our method.
Advances in Set Function Learning: A Survey of Techniques and Applications
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.
SSAST: Self-Supervised Audio Spectrogram Transformer
Recently, neural networks based purely on self-attention, such as the Vision Transformer (ViT), have been shown to outperform deep learning models constructed with convolutional neural networks (CNNs) on various vision tasks, thus extending the success of Transformers, which were originally developed for language processing, to the vision domain. A recent study showed that a similar methodology can also be applied to the audio domain. Specifically, the Audio Spectrogram Transformer (AST) achieves state-of-the-art results on various audio classification benchmarks. However, pure Transformer models tend to require more training data compared to CNNs, and the success of the AST relies on supervised pretraining that requires a large amount of labeled data and a complex training pipeline, thus limiting the practical usage of AST. This paper focuses on audio and speech classification, and aims to reduce the need for large amounts of labeled data for AST by leveraging self-supervised learning using unlabeled data. Specifically, we propose to pretrain the AST model with joint discriminative and generative masked spectrogram patch modeling (MSPM) using unlabeled audio from AudioSet and Librispeech. We evaluate our pretrained models on both audio and speech classification tasks including audio event classification, keyword spotting, emotion recognition, and speaker identification. The proposed self-supervised framework significantly boosts AST performance on all tasks, with an average improvement of 60.9%, leading to similar or even better results than a supervised pretrained AST. To the best of our knowledge, it is the first patch-based self-supervised learning framework in the audio and speech domain, and also the first self-supervised learning framework for AST.
Show me your NFT and I tell you how it will perform: Multimodal representation learning for NFT selling price prediction
Non-Fungible Tokens (NFTs) represent deeds of ownership, based on blockchain technologies and smart contracts, of unique crypto assets on digital art forms (e.g., artworks or collectibles). In the spotlight after skyrocketing in 2021, NFTs have attracted the attention of crypto enthusiasts and investors intent on placing promising investments in this profitable market. However, the NFT financial performance prediction has not been widely explored to date. In this work, we address the above problem based on the hypothesis that NFT images and their textual descriptions are essential proxies to predict the NFT selling prices. To this purpose, we propose MERLIN, a novel multimodal deep learning framework designed to train Transformer-based language and visual models, along with graph neural network models, on collections of NFTs' images and texts. A key aspect in MERLIN is its independence on financial features, as it exploits only the primary data a user interested in NFT trading would like to deal with, i.e., NFT images and textual descriptions. By learning dense representations of such data, a price-category classification task is performed by MERLIN models, which can also be tuned according to user preferences in the inference phase to mimic different risk-return investment profiles. Experimental evaluation on a publicly available dataset has shown that MERLIN models achieve significant performances according to several financial assessment criteria, fostering profitable investments, and also beating baseline machine-learning classifiers based on financial features.
Backward Lens: Projecting Language Model Gradients into the Vocabulary Space
Understanding how Transformer-based Language Models (LMs) learn and recall information is a key goal of the deep learning community. Recent interpretability methods project weights and hidden states obtained from the forward pass to the models' vocabularies, helping to uncover how information flows within LMs. In this work, we extend this methodology to LMs' backward pass and gradients. We first prove that a gradient matrix can be cast as a low-rank linear combination of its forward and backward passes' inputs. We then develop methods to project these gradients into vocabulary items and explore the mechanics of how new information is stored in the LMs' neurons.
Survey of Hallucination in Natural Language Generation
Natural Language Generation (NLG) has improved exponentially in recent years thanks to the development of sequence-to-sequence deep learning technologies such as Transformer-based language models. This advancement has led to more fluent and coherent NLG, leading to improved development in downstream tasks such as abstractive summarization, dialogue generation and data-to-text generation. However, it is also apparent that deep learning based generation is prone to hallucinate unintended text, which degrades the system performance and fails to meet user expectations in many real-world scenarios. To address this issue, many studies have been presented in measuring and mitigating hallucinated texts, but these have never been reviewed in a comprehensive manner before. In this survey, we thus provide a broad overview of the research progress and challenges in the hallucination problem in NLG. The survey is organized into two parts: (1) a general overview of metrics, mitigation methods, and future directions; and (2) an overview of task-specific research progress on hallucinations in the following downstream tasks, namely abstractive summarization, dialogue generation, generative question answering, data-to-text generation, machine translation, and visual-language generation. This survey serves to facilitate collaborative efforts among researchers in tackling the challenge of hallucinated texts in NLG.
Neural Entity Linking: A Survey of Models Based on Deep Learning
This survey presents a comprehensive description of recent neural entity linking (EL) systems developed since 2015 as a result of the "deep learning revolution" in natural language processing. Its goal is to systemize design features of neural entity linking systems and compare their performance to the remarkable classic methods on common benchmarks. This work distills a generic architecture of a neural EL system and discusses its components, such as candidate generation, mention-context encoding, and entity ranking, summarizing prominent methods for each of them. The vast variety of modifications of this general architecture are grouped by several common themes: joint entity mention detection and disambiguation, models for global linking, domain-independent techniques including zero-shot and distant supervision methods, and cross-lingual approaches. Since many neural models take advantage of entity and mention/context embeddings to represent their meaning, this work also overviews prominent entity embedding techniques. Finally, the survey touches on applications of entity linking, focusing on the recently emerged use-case of enhancing deep pre-trained masked language models based on the Transformer architecture.
DeCLUTR: Deep Contrastive Learning for Unsupervised Textual Representations
Sentence embeddings are an important component of many natural language processing (NLP) systems. Like word embeddings, sentence embeddings are typically learned on large text corpora and then transferred to various downstream tasks, such as clustering and retrieval. Unlike word embeddings, the highest performing solutions for learning sentence embeddings require labelled data, limiting their usefulness to languages and domains where labelled data is abundant. In this paper, we present DeCLUTR: Deep Contrastive Learning for Unsupervised Textual Representations. Inspired by recent advances in deep metric learning (DML), we carefully design a self-supervised objective for learning universal sentence embeddings that does not require labelled training data. When used to extend the pretraining of transformer-based language models, our approach closes the performance gap between unsupervised and supervised pretraining for universal sentence encoders. Importantly, our experiments suggest that the quality of the learned embeddings scale with both the number of trainable parameters and the amount of unlabelled training data. Our code and pretrained models are publicly available and can be easily adapted to new domains or used to embed unseen text.
Automatic Readability Assessment of German Sentences with Transformer Ensembles
Reliable methods for automatic readability assessment have the potential to impact a variety of fields, ranging from machine translation to self-informed learning. Recently, large language models for the German language (such as GBERT and GPT-2-Wechsel) have become available, allowing to develop Deep Learning based approaches that promise to further improve automatic readability assessment. In this contribution, we studied the ability of ensembles of fine-tuned GBERT and GPT-2-Wechsel models to reliably predict the readability of German sentences. We combined these models with linguistic features and investigated the dependence of prediction performance on ensemble size and composition. Mixed ensembles of GBERT and GPT-2-Wechsel performed better than ensembles of the same size consisting of only GBERT or GPT-2-Wechsel models. Our models were evaluated in the GermEval 2022 Shared Task on Text Complexity Assessment on data of German sentences. On out-of-sample data, our best ensemble achieved a root mean squared error of 0.435.
Mamba: Linear-Time Sequence Modeling with Selective State Spaces
Foundation models, now powering most of the exciting applications in deep learning, are almost universally based on the Transformer architecture and its core attention module. Many subquadratic-time architectures such as linear attention, gated convolution and recurrent models, and structured state space models (SSMs) have been developed to address Transformers' computational inefficiency on long sequences, but they have not performed as well as attention on important modalities such as language. We identify that a key weakness of such models is their inability to perform content-based reasoning, and make several improvements. First, simply letting the SSM parameters be functions of the input addresses their weakness with discrete modalities, allowing the model to selectively propagate or forget information along the sequence length dimension depending on the current token. Second, even though this change prevents the use of efficient convolutions, we design a hardware-aware parallel algorithm in recurrent mode. We integrate these selective SSMs into a simplified end-to-end neural network architecture without attention or even MLP blocks (Mamba). Mamba enjoys fast inference (5times higher throughput than Transformers) and linear scaling in sequence length, and its performance improves on real data up to million-length sequences. As a general sequence model backbone, Mamba achieves state-of-the-art performance across several modalities such as language, audio, and genomics. On language modeling, our Mamba-3B model outperforms Transformers of the same size and matches Transformers twice its size, both in pretraining and downstream evaluation.
Learning Subpocket Prototypes for Generalizable Structure-based Drug Design
Generating molecules with high binding affinities to target proteins (a.k.a. structure-based drug design) is a fundamental and challenging task in drug discovery. Recently, deep generative models have achieved remarkable success in generating 3D molecules conditioned on the protein pocket. However, most existing methods consider molecular generation for protein pockets independently while neglecting the underlying connections such as subpocket-level similarities. Subpockets are the local protein environments of ligand fragments and pockets with similar subpockets may bind the same molecular fragment (motif) even though their overall structures are different. Therefore, the trained models can hardly generalize to unseen protein pockets in real-world applications. In this paper, we propose a novel method DrugGPS for generalizable structure-based drug design. With the biochemical priors, we propose to learn subpocket prototypes and construct a global interaction graph to model the interactions between subpocket prototypes and molecular motifs. Moreover, a hierarchical graph transformer encoder and motif-based 3D molecule generation scheme are used to improve the model's performance. The experimental results show that our model consistently outperforms baselines in generating realistic drug candidates with high affinities in challenging out-of-distribution settings.
Interpreting Radiologist's Intention from Eye Movements in Chest X-ray Diagnosis
Radiologists rely on eye movements to navigate and interpret medical images. A trained radiologist possesses knowledge about the potential diseases that may be present in the images and, when searching, follows a mental checklist to locate them using their gaze. This is a key observation, yet existing models fail to capture the underlying intent behind each fixation. In this paper, we introduce a deep learning-based approach, RadGazeIntent, designed to model this behavior: having an intention to find something and actively searching for it. Our transformer-based architecture processes both the temporal and spatial dimensions of gaze data, transforming fine-grained fixation features into coarse, meaningful representations of diagnostic intent to interpret radiologists' goals. To capture the nuances of radiologists' varied intention-driven behaviors, we process existing medical eye-tracking datasets to create three intention-labeled subsets: RadSeq (Systematic Sequential Search), RadExplore (Uncertainty-driven Exploration), and RadHybrid (Hybrid Pattern). Experimental results demonstrate RadGazeIntent's ability to predict which findings radiologists are examining at specific moments, outperforming baseline methods across all intention-labeled datasets.
Enhancing Skin Disease Classification Leveraging Transformer-based Deep Learning Architectures and Explainable AI
Skin diseases affect over a third of the global population, yet their impact is often underestimated. Automating skin disease classification to assist doctors with their prognosis might be difficult. Nevertheless, due to efficient feature extraction pipelines, deep learning techniques have shown much promise for various tasks, including dermatological disease identification. This study uses a skin disease dataset with 31 classes and compares it with all versions of Vision Transformers, Swin Transformers and DivoV2. The analysis is also extended to compare with benchmark convolution-based architecture presented in the literature. Transfer learning with ImageNet1k weights on the skin disease dataset contributes to a high test accuracy of 96.48\% and an F1-Score of 0.9727 using DinoV2, which is almost a 10\% improvement over this data's current benchmark results. The performance of DinoV2 was also compared for the HAM10000 and Dermnet datasets to test the model's robustness, and the trained model overcomes the benchmark results by a slight margin in test accuracy and in F1-Score on the 23 and 7 class datasets. The results are substantiated using explainable AI frameworks like GradCAM and SHAP, which provide precise image locations to map the disease, assisting dermatologists in early detection, prompt prognosis, and treatment.
Seismic Foundation Model (SFM): a new generation deep learning model in geophysics
While computer science has seen remarkable advancements in foundation models, which remain underexplored in geoscience. Addressing this gap, we introduce a workflow to develop geophysical foundation models, including data preparation, model pre-training, and adaption to downstream tasks. From 192 globally collected 3-D seismic volumes, we create a carefully curated dataset of 2,286,422 2-D seismic images. Fully using these unlabeled images, we employ the self-supervised learning to pre-train a Transformer-based Seismic Foundation Model (SFM) for producing all-purpose seismic features that work across various tasks and surveys. Through experiments on seismic facies classification, geobody identification, interpolation, denoising, and inversion, our pre-trained model demonstrates versatility, generalization, scalability, and superior performance over baseline models. Conclusively, we provide a foundation model and vast dataset to advance AI in geophysics, addressing challenges (poor generalization, lacking labels, and repetitive training for task-specified models) of applying AI in geophysics and paving the way for future innovations in geoscience.
VSEC: Transformer-based Model for Vietnamese Spelling Correction
Spelling error correction is one of topics which have a long history in natural language processing. Although previous studies have achieved remarkable results, challenges still exist. In the Vietnamese language, a state-of-the-art method for the task infers a syllable's context from its adjacent syllables. The method's accuracy can be unsatisfactory, however, because the model may lose the context if two (or more) spelling mistakes stand near each other. In this paper, we propose a novel method to correct Vietnamese spelling errors. We tackle the problems of mistyped errors and misspelled errors by using a deep learning model. The embedding layer, in particular, is powered by the byte pair encoding technique. The sequence to sequence model based on the Transformer architecture makes our approach different from the previous works on the same problem. In the experiment, we train the model with a large synthetic dataset, which is randomly introduced spelling errors. We test the performance of the proposed method using a realistic dataset. This dataset contains 11,202 human-made misspellings in 9,341 different Vietnamese sentences. The experimental results show that our method achieves encouraging performance with 86.8% errors detected and 81.5% errors corrected, which improves the state-of-the-art approach 5.6% and 2.2%, respectively.
UniAP: Towards Universal Animal Perception in Vision via Few-shot Learning
Animal visual perception is an important technique for automatically monitoring animal health, understanding animal behaviors, and assisting animal-related research. However, it is challenging to design a deep learning-based perception model that can freely adapt to different animals across various perception tasks, due to the varying poses of a large diversity of animals, lacking data on rare species, and the semantic inconsistency of different tasks. We introduce UniAP, a novel Universal Animal Perception model that leverages few-shot learning to enable cross-species perception among various visual tasks. Our proposed model takes support images and labels as prompt guidance for a query image. Images and labels are processed through a Transformer-based encoder and a lightweight label encoder, respectively. Then a matching module is designed for aggregating information between prompt guidance and the query image, followed by a multi-head label decoder to generate outputs for various tasks. By capitalizing on the shared visual characteristics among different animals and tasks, UniAP enables the transfer of knowledge from well-studied species to those with limited labeled data or even unseen species. We demonstrate the effectiveness of UniAP through comprehensive experiments in pose estimation, segmentation, and classification tasks on diverse animal species, showcasing its ability to generalize and adapt to new classes with minimal labeled examples.
Big Bird: Transformers for Longer Sequences
Transformers-based models, such as BERT, have been one of the most successful deep learning models for NLP. Unfortunately, one of their core limitations is the quadratic dependency (mainly in terms of memory) on the sequence length due to their full attention mechanism. To remedy this, we propose, BigBird, a sparse attention mechanism that reduces this quadratic dependency to linear. We show that BigBird is a universal approximator of sequence functions and is Turing complete, thereby preserving these properties of the quadratic, full attention model. Along the way, our theoretical analysis reveals some of the benefits of having O(1) global tokens (such as CLS), that attend to the entire sequence as part of the sparse attention mechanism. The proposed sparse attention can handle sequences of length up to 8x of what was previously possible using similar hardware. As a consequence of the capability to handle longer context, BigBird drastically improves performance on various NLP tasks such as question answering and summarization. We also propose novel applications to genomics data.
Enhancing Document Information Analysis with Multi-Task Pre-training: A Robust Approach for Information Extraction in Visually-Rich Documents
This paper introduces a deep learning model tailored for document information analysis, emphasizing document classification, entity relation extraction, and document visual question answering. The proposed model leverages transformer-based models to encode all the information present in a document image, including textual, visual, and layout information. The model is pre-trained and subsequently fine-tuned for various document image analysis tasks. The proposed model incorporates three additional tasks during the pre-training phase, including reading order identification of different layout segments in a document image, layout segments categorization as per PubLayNet, and generation of the text sequence within a given layout segment (text block). The model also incorporates a collective pre-training scheme where losses of all the tasks under consideration, including pre-training and fine-tuning tasks with all datasets, are considered. Additional encoder and decoder blocks are added to the RoBERTa network to generate results for all tasks. The proposed model achieved impressive results across all tasks, with an accuracy of 95.87% on the RVL-CDIP dataset for document classification, F1 scores of 0.9306, 0.9804, 0.9794, and 0.8742 on the FUNSD, CORD, SROIE, and Kleister-NDA datasets respectively for entity relation extraction, and an ANLS score of 0.8468 on the DocVQA dataset for visual question answering. The results highlight the effectiveness of the proposed model in understanding and interpreting complex document layouts and content, making it a promising tool for document analysis tasks.
Can Deep Learning be Applied to Model-Based Multi-Object Tracking?
Multi-object tracking (MOT) is the problem of tracking the state of an unknown and time-varying number of objects using noisy measurements, with important applications such as autonomous driving, tracking animal behavior, defense systems, and others. In recent years, deep learning (DL) has been increasingly used in MOT for improving tracking performance, but mostly in settings where the measurements are high-dimensional and there are no available models of the measurement likelihood and the object dynamics. The model-based setting instead has not attracted as much attention, and it is still unclear if DL methods can outperform traditional model-based Bayesian methods, which are the state of the art (SOTA) in this context. In this paper, we propose a Transformer-based DL tracker and evaluate its performance in the model-based setting, comparing it to SOTA model-based Bayesian methods in a variety of different tasks. Our results show that the proposed DL method can match the performance of the model-based methods in simple tasks, while outperforming them when the task gets more complicated, either due to an increase in the data association complexity, or to stronger nonlinearities of the models of the environment.
From Modern CNNs to Vision Transformers: Assessing the Performance, Robustness, and Classification Strategies of Deep Learning Models in Histopathology
While machine learning is currently transforming the field of histopathology, the domain lacks a comprehensive evaluation of state-of-the-art models based on essential but complementary quality requirements beyond a mere classification accuracy. In order to fill this gap, we developed a new methodology to extensively evaluate a wide range of classification models, including recent vision transformers, and convolutional neural networks such as: ConvNeXt, ResNet (BiT), Inception, ViT and Swin transformer, with and without supervised or self-supervised pretraining. We thoroughly tested the models on five widely used histopathology datasets containing whole slide images of breast, gastric, and colorectal cancer and developed a novel approach using an image-to-image translation model to assess the robustness of a cancer classification model against stain variations. Further, we extended existing interpretability methods to previously unstudied models and systematically reveal insights of the models' classifications strategies that can be transferred to future model architectures.
Efficient Feature Extraction Using Light-Weight CNN Attention-Based Deep Learning Architectures for Ultrasound Fetal Plane Classification
Ultrasound fetal imaging is beneficial to support prenatal development because it is affordable and non-intrusive. Nevertheless, fetal plane classification (FPC) remains challenging and time-consuming for obstetricians since it depends on nuanced clinical aspects, which increases the difficulty in identifying relevant features of the fetal anatomy. Thus, to assist with its accurate feature extraction, a lightweight artificial intelligence architecture leveraging convolutional neural networks and attention mechanisms is proposed to classify the largest benchmark ultrasound dataset. The approach fine-tunes from lightweight EfficientNet feature extraction backbones pre-trained on the ImageNet1k. to classify key fetal planes such as the brain, femur, thorax, cervix, and abdomen. Our methodology incorporates the attention mechanism to refine features and 3-layer perceptrons for classification, achieving superior performance with the highest Top-1 accuracy of 96.25%, Top-2 accuracy of 99.80% and F1-Score of 0.9576. Importantly, the model has 40x fewer trainable parameters than existing benchmark ensemble or transformer pipelines, facilitating easy deployment on edge devices to help clinical practitioners with real-time FPC. The findings are also interpreted using GradCAM to carry out clinical correlation to aid doctors with diagnostics and improve treatment plans for expectant mothers.
L3Cube-MahaHate: A Tweet-based Marathi Hate Speech Detection Dataset and BERT models
Social media platforms are used by a large number of people prominently to express their thoughts and opinions. However, these platforms have contributed to a substantial amount of hateful and abusive content as well. Therefore, it is important to curb the spread of hate speech on these platforms. In India, Marathi is one of the most popular languages used by a wide audience. In this work, we present L3Cube-MahaHate, the first major Hate Speech Dataset in Marathi. The dataset is curated from Twitter, annotated manually. Our dataset consists of over 25000 distinct tweets labeled into four major classes i.e hate, offensive, profane, and not. We present the approaches used for collecting and annotating the data and the challenges faced during the process. Finally, we present baseline classification results using deep learning models based on CNN, LSTM, and Transformers. We explore mono-lingual and multi-lingual variants of BERT like MahaBERT, IndicBERT, mBERT, and xlm-RoBERTa and show that mono-lingual models perform better than their multi-lingual counterparts. The MahaBERT model provides the best results on L3Cube-MahaHate Corpus. The data and models are available at https://github.com/l3cube-pune/MarathiNLP .
Why do Learning Rates Transfer? Reconciling Optimization and Scaling Limits for Deep Learning
Recently, there has been growing evidence that if the width and depth of a neural network are scaled toward the so-called rich feature learning limit (muP and its depth extension), then some hyperparameters - such as the learning rate - exhibit transfer from small to very large models, thus reducing the cost of hyperparameter tuning. From an optimization perspective, this phenomenon is puzzling, as it implies that the loss landscape is remarkably consistent across very different model sizes. In this work, we find empirical evidence that learning rate transfer can be attributed to the fact that under muP and its depth extension, the largest eigenvalue of the training loss Hessian (i.e. the sharpness) is largely independent of the width and depth of the network for a sustained period of training time. On the other hand, we show that under the neural tangent kernel (NTK) regime, the sharpness exhibits very different dynamics at different scales, thus preventing learning rate transfer. But what causes these differences in the sharpness dynamics? Through a connection between the spectra of the Hessian and the NTK matrix, we argue that the cause lies in the presence (for muP) or progressive absence (for the NTK regime) of feature learning, which results in a different evolution of the NTK, and thus of the sharpness. We corroborate our claims with a substantial suite of experiments, covering a wide range of datasets and architectures: from ResNets and Vision Transformers trained on benchmark vision datasets to Transformers-based language models trained on WikiText
Generative Pretrained Autoregressive Transformer Graph Neural Network applied to the Analysis and Discovery of Novel Proteins
We report a flexible language-model based deep learning strategy, applied here to solve complex forward and inverse problems in protein modeling, based on an attention neural network that integrates transformer and graph convolutional architectures in a causal multi-headed graph mechanism, to realize a generative pretrained model. The model is applied to predict secondary structure content (per-residue level and overall content), protein solubility, and sequencing tasks. Further trained on inverse tasks, the model is rendered capable of designing proteins with these properties as target features. The model is formulated as a general framework, completely prompt-based, and can be adapted for a variety of downstream tasks. We find that adding additional tasks yields emergent synergies that the model exploits in improving overall performance, beyond what would be possible by training a model on each dataset alone. Case studies are presented to validate the method, yielding protein designs specifically focused on structural proteins, but also exploring the applicability in the design of soluble, antimicrobial biomaterials. While our model is trained to ultimately perform 8 distinct tasks, with available datasets it can be extended to solve additional problems. In a broader sense, this work illustrates a form of multiscale modeling that relates a set of ultimate building blocks (here, byte-level utf8 characters) to complex output. This materiomic scheme captures complex emergent relationships between universal building block and resulting properties via a synergizing learning capacity to express a set of potentialities embedded in the knowledge used in training, via the interplay of universality and diversity.
BreastDCEDL: A Comprehensive Breast Cancer DCE-MRI Dataset and Transformer Implementation for Treatment Response Prediction
Breast cancer remains a leading cause of cancer-related mortality worldwide, making early detection and accurate treatment response monitoring critical priorities. We present BreastDCEDL, a curated, deep learning-ready dataset comprising pre-treatment 3D Dynamic Contrast-Enhanced MRI (DCE-MRI) scans from 2,070 breast cancer patients drawn from the I-SPY1, I-SPY2, and Duke cohorts, all sourced from The Cancer Imaging Archive. The raw DICOM imaging data were rigorously converted into standardized 3D NIfTI volumes with preserved signal integrity, accompanied by unified tumor annotations and harmonized clinical metadata including pathologic complete response (pCR), hormone receptor (HR), and HER2 status. Although DCE-MRI provides essential diagnostic information and deep learning offers tremendous potential for analyzing such complex data, progress has been limited by lack of accessible, public, multicenter datasets. BreastDCEDL addresses this gap by enabling development of advanced models, including state-of-the-art transformer architectures that require substantial training data. To demonstrate its capacity for robust modeling, we developed the first transformer-based model for breast DCE-MRI, leveraging Vision Transformer (ViT) architecture trained on RGB-fused images from three contrast phases (pre-contrast, early post-contrast, and late post-contrast). Our ViT model achieved state-of-the-art pCR prediction performance in HR+/HER2- patients (AUC 0.94, accuracy 0.93). BreastDCEDL includes predefined benchmark splits, offering a framework for reproducible research and enabling clinically meaningful modeling in breast cancer imaging.
An Efficient Multimodal Learning Framework to Comprehend Consumer Preferences Using BERT and Cross-Attention
Today, the acquisition of various behavioral log data has enabled deeper understanding of customer preferences and future behaviors in the marketing field. In particular, multimodal deep learning has achieved highly accurate predictions by combining multiple types of data. Many of these studies utilize with feature fusion to construct multimodal models, which combines extracted representations from each modality. However, since feature fusion treats information from each modality equally, it is difficult to perform flexible analysis such as the attention mechanism that has been used extensively in recent years. Therefore, this study proposes a context-aware multimodal deep learning model that combines Bidirectional Encoder Representations from Transformers (BERT) and cross-attention Transformer, which dynamically changes the attention of deep-contextualized word representations based on background information such as consumer demographic and lifestyle variables. We conduct a comprehensive analysis and demonstrate the effectiveness of our model by comparing it with six reference models in three categories using behavioral logs stored on an online platform. In addition, we present an efficient multimodal learning method by comparing the learning efficiency depending on the optimizers and the prediction accuracy depending on the number of tokens in the text data.
TraHGR: Transformer for Hand Gesture Recognition via ElectroMyography
Deep learning-based Hand Gesture Recognition (HGR) via surface Electromyogram (sEMG) signals has recently shown significant potential for development of advanced myoelectric-controlled prosthesis. Existing deep learning approaches, typically, include only one model as such can hardly maintain acceptable generalization performance in changing scenarios. In this paper, we aim to address this challenge by capitalizing on the recent advances of hybrid models and transformers. In other words, we propose a hybrid framework based on the transformer architecture, which is a relatively new and revolutionizing deep learning model. The proposed hybrid architecture, referred to as the Transformer for Hand Gesture Recognition (TraHGR), consists of two parallel paths followed by a linear layer that acts as a fusion center to integrate the advantage of each module and provide robustness over different scenarios. We evaluated the proposed architecture TraHGR based on the commonly used second Ninapro dataset, referred to as the DB2. The sEMG signals in the DB2 dataset are measured in the real-life conditions from 40 healthy users, each performing 49 gestures. We have conducted extensive set of experiments to test and validate the proposed TraHGR architecture, and have compared its achievable accuracy with more than five recently proposed HGR classification algorithms over the same dataset. We have also compared the results of the proposed TraHGR architecture with each individual path and demonstrated the distinguishing power of the proposed hybrid architecture. The recognition accuracies of the proposed TraHGR architecture are 86.18%, 88.91%, 81.44%, and 93.84%, which are 2.48%, 5.12%, 8.82%, and 4.30% higher than the state-ofthe-art performance for DB2 (49 gestures), DB2-B (17 gestures), DB2-C (23 gestures), and DB2-D (9 gestures), respectively.
To catch a chorus, verse, intro, or anything else: Analyzing a song with structural functions
Conventional music structure analysis algorithms aim to divide a song into segments and to group them with abstract labels (e.g., 'A', 'B', and 'C'). However, explicitly identifying the function of each segment (e.g., 'verse' or 'chorus') is rarely attempted, but has many applications. We introduce a multi-task deep learning framework to model these structural semantic labels directly from audio by estimating "verseness," "chorusness," and so forth, as a function of time. We propose a 7-class taxonomy (i.e., intro, verse, chorus, bridge, outro, instrumental, and silence) and provide rules to consolidate annotations from four disparate datasets. We also propose to use a spectral-temporal Transformer-based model, called SpecTNT, which can be trained with an additional connectionist temporal localization (CTL) loss. In cross-dataset evaluations using four public datasets, we demonstrate the effectiveness of the SpecTNT model and CTL loss, and obtain strong results overall: the proposed system outperforms state-of-the-art chorus-detection and boundary-detection methods at detecting choruses and boundaries, respectively.
NumHTML: Numeric-Oriented Hierarchical Transformer Model for Multi-task Financial Forecasting
Financial forecasting has been an important and active area of machine learning research because of the challenges it presents and the potential rewards that even minor improvements in prediction accuracy or forecasting may entail. Traditionally, financial forecasting has heavily relied on quantitative indicators and metrics derived from structured financial statements. Earnings conference call data, including text and audio, is an important source of unstructured data that has been used for various prediction tasks using deep earning and related approaches. However, current deep learning-based methods are limited in the way that they deal with numeric data; numbers are typically treated as plain-text tokens without taking advantage of their underlying numeric structure. This paper describes a numeric-oriented hierarchical transformer model to predict stock returns, and financial risk using multi-modal aligned earnings calls data by taking advantage of the different categories of numbers (monetary, temporal, percentages etc.) and their magnitude. We present the results of a comprehensive evaluation of NumHTML against several state-of-the-art baselines using a real-world publicly available dataset. The results indicate that NumHTML significantly outperforms the current state-of-the-art across a variety of evaluation metrics and that it has the potential to offer significant financial gains in a practical trading context.
SymbolicGPT: A Generative Transformer Model for Symbolic Regression
Symbolic regression is the task of identifying a mathematical expression that best fits a provided dataset of input and output values. Due to the richness of the space of mathematical expressions, symbolic regression is generally a challenging problem. While conventional approaches based on genetic evolution algorithms have been used for decades, deep learning-based methods are relatively new and an active research area. In this work, we present SymbolicGPT, a novel transformer-based language model for symbolic regression. This model exploits the advantages of probabilistic language models like GPT, including strength in performance and flexibility. Through comprehensive experiments, we show that our model performs strongly compared to competing models with respect to the accuracy, running time, and data efficiency.
ComFormer: Code Comment Generation via Transformer and Fusion Method-based Hybrid Code Representation
Developers often write low-quality code comments due to the lack of programming experience, which can reduce the efficiency of developers program comprehension. Therefore, developers hope that code comment generation tools can be developed to illustrate the functionality and purpose of the code. Recently, researchers mainly model this problem as the neural machine translation problem and tend to use deep learning-based methods. In this study, we propose a novel method ComFormer based on Transformer and fusion method-based hybrid code presentation. Moreover, to alleviate OOV (out-of-vocabulary) problem and speed up model training, we further utilize the Byte-BPE algorithm to split identifiers and Sim_SBT method to perform AST Traversal. We compare ComFormer with seven state-of-the-art baselines from code comment generation and neural machine translation domains. Comparison results show the competitiveness of ComFormer in terms of three performance measures. Moreover, we perform a human study to verify that ComFormer can generate high-quality comments.
No Black Box Anymore: Demystifying Clinical Predictive Modeling with Temporal-Feature Cross Attention Mechanism
Despite the outstanding performance of deep learning models in clinical prediction tasks, explainability remains a significant challenge. Inspired by transformer architectures, we introduce the Temporal-Feature Cross Attention Mechanism (TFCAM), a novel deep learning framework designed to capture dynamic interactions among clinical features across time, enhancing both predictive accuracy and interpretability. In an experiment with 1,422 patients with Chronic Kidney Disease, predicting progression to End-Stage Renal Disease, TFCAM outperformed LSTM and RETAIN baselines, achieving an AUROC of 0.95 and an F1-score of 0.69. Beyond performance gains, TFCAM provides multi-level explainability by identifying critical temporal periods, ranking feature importance, and quantifying how features influence each other across time before affecting predictions. Our approach addresses the "black box" limitations of deep learning in healthcare, offering clinicians transparent insights into disease progression mechanisms while maintaining state-of-the-art predictive performance.
On the Applicability of Language Models to Block-Based Programs
Block-based programming languages like Scratch are increasingly popular for programming education and end-user programming. Recent program analyses build on the insight that source code can be modelled using techniques from natural language processing. Many of the regularities of source code that support this approach are due to the syntactic overhead imposed by textual programming languages. This syntactic overhead, however, is precisely what block-based languages remove in order to simplify programming. Consequently, it is unclear how well this modelling approach performs on block-based programming languages. In this paper, we investigate the applicability of language models for the popular block-based programming language Scratch. We model Scratch programs using n-gram models, the most essential type of language model, and transformers, a popular deep learning model. Evaluation on the example tasks of code completion and bug finding confirm that blocks inhibit predictability, but the use of language models is nevertheless feasible. Our findings serve as foundation for improving tooling and analyses for block-based languages.
Comparison of biomedical relationship extraction methods and models for knowledge graph creation
Biomedical research is growing at such an exponential pace that scientists, researchers, and practitioners are no more able to cope with the amount of published literature in the domain. The knowledge presented in the literature needs to be systematized in such a way that claims and hypotheses can be easily found, accessed, and validated. Knowledge graphs can provide such a framework for semantic knowledge representation from literature. However, in order to build a knowledge graph, it is necessary to extract knowledge as relationships between biomedical entities and normalize both entities and relationship types. In this paper, we present and compare few rule-based and machine learning-based (Naive Bayes, Random Forests as examples of traditional machine learning methods and DistilBERT, PubMedBERT, T5 and SciFive-based models as examples of modern deep learning transformers) methods for scalable relationship extraction from biomedical literature, and for the integration into the knowledge graphs. We examine how resilient are these various methods to unbalanced and fairly small datasets. Our experiments show that transformer-based models handle well both small (due to pre-training on a large dataset) and unbalanced datasets. The best performing model was the PubMedBERT-based model fine-tuned on balanced data, with a reported F1-score of 0.92. DistilBERT-based model followed with F1-score of 0.89, performing faster and with lower resource requirements. BERT-based models performed better then T5-based generative models.
Action Q-Transformer: Visual Explanation in Deep Reinforcement Learning with Encoder-Decoder Model using Action Query
The excellent performance of Transformer in supervised learning has led to growing interest in its potential application to deep reinforcement learning (DRL) to achieve high performance on a wide variety of problems. However, the decision making of a DRL agent is a black box, which greatly hinders the application of the agent to real-world problems. To address this problem, we propose the Action Q-Transformer (AQT), which introduces a transformer encoder-decoder structure to Q-learning based DRL methods. In AQT, the encoder calculates the state value function and the decoder calculates the advantage function to promote the acquisition of different attentions indicating the agent's decision-making. The decoder in AQT utilizes action queries, which represent the information of each action, as queries. This enables us to obtain the attentions for the state value and for each action. By acquiring and visualizing these attentions that detail the agent's decision-making, we achieve a DRL model with high interpretability. In this paper, we show that visualization of attention in Atari 2600 games enables detailed analysis of agents' decision-making in various game tasks. Further, experimental results demonstrate that our method can achieve higher performance than the baseline in some games.
Tabular Data with Class Imbalance: Predicting Electric Vehicle Crash Severity with Pretrained Transformers (TabPFN) and Mamba-Based Models
This study presents a deep tabular learning framework for predicting crash severity in electric vehicle (EV) collisions using real-world crash data from Texas (2017-2023). After filtering for electric-only vehicles, 23,301 EV-involved crash records were analyzed. Feature importance techniques using XGBoost and Random Forest identified intersection relation, first harmful event, person age, crash speed limit, and day of week as the top predictors, along with advanced safety features like automatic emergency braking. To address class imbalance, Synthetic Minority Over-sampling Technique and Edited Nearest Neighbors (SMOTEENN) resampling was applied. Three state-of-the-art deep tabular models, TabPFN, MambaNet, and MambaAttention, were benchmarked for severity prediction. While TabPFN demonstrated strong generalization, MambaAttention achieved superior performance in classifying severe injury cases due to its attention-based feature reweighting. The findings highlight the potential of deep tabular architectures for improving crash severity prediction and enabling data-driven safety interventions in EV crash contexts.
Transformer Guided Coevolution: Improved Team Formation in Multiagent Adversarial Games
We consider the problem of team formation within multiagent adversarial games. We propose BERTeam, a novel algorithm that uses a transformer-based deep neural network with Masked Language Model training to select the best team of players from a trained population. We integrate this with coevolutionary deep reinforcement learning, which trains a diverse set of individual players to choose teams from. We test our algorithm in the multiagent adversarial game Marine Capture-The-Flag, and we find that BERTeam learns non-trivial team compositions that perform well against unseen opponents. For this game, we find that BERTeam outperforms MCAA, an algorithm that similarly optimizes team formation.
MM-SurvNet: Deep Learning-Based Survival Risk Stratification in Breast Cancer Through Multimodal Data Fusion
Survival risk stratification is an important step in clinical decision making for breast cancer management. We propose a novel deep learning approach for this purpose by integrating histopathological imaging, genetic and clinical data. It employs vision transformers, specifically the MaxViT model, for image feature extraction, and self-attention to capture intricate image relationships at the patient level. A dual cross-attention mechanism fuses these features with genetic data, while clinical data is incorporated at the final layer to enhance predictive accuracy. Experiments on the public TCGA-BRCA dataset show that our model, trained using the negative log likelihood loss function, can achieve superior performance with a mean C-index of 0.64, surpassing existing methods. This advancement facilitates tailored treatment strategies, potentially leading to improved patient outcomes.
Finding the Missing Data: A BERT-inspired Approach Against Package Loss in Wireless Sensing
Despite the development of various deep learning methods for Wi-Fi sensing, package loss often results in noncontinuous estimation of the Channel State Information (CSI), which negatively impacts the performance of the learning models. To overcome this challenge, we propose a deep learning model based on Bidirectional Encoder Representations from Transformers (BERT) for CSI recovery, named CSI-BERT. CSI-BERT can be trained in an self-supervised manner on the target dataset without the need for additional data. Furthermore, unlike traditional interpolation methods that focus on one subcarrier at a time, CSI-BERT captures the sequential relationships across different subcarriers. Experimental results demonstrate that CSI-BERT achieves lower error rates and faster speed compared to traditional interpolation methods, even when facing with high loss rates. Moreover, by harnessing the recovered CSI obtained from CSI-BERT, other deep learning models like Residual Network and Recurrent Neural Network can achieve an average increase in accuracy of approximately 15\% in Wi-Fi sensing tasks. The collected dataset WiGesture and code for our model are publicly available at https://github.com/RS2002/CSI-BERT.
End-To-End Prediction of Knee Osteoarthritis Progression With Multi-Modal Transformers
Knee Osteoarthritis (KOA) is a highly prevalent chronic musculoskeletal condition with no currently available treatment. The manifestation of KOA is heterogeneous and prediction of its progression is challenging. Current literature suggests that the use of multi-modal data and advanced modeling methods, such as the ones based on Deep Learning, has promise in tackling this challenge. To date, however, the evidence on the efficacy of this approach is limited. In this study, we leveraged recent advances in Deep Learning and, using a Transformer approach, developed a unified framework for the multi-modal fusion of knee imaging data. Subsequently, we analyzed its performance across a range of scenarios by investigating multiple progression horizons -- from short-term to long-term. We report our findings using a large cohort (n=2421-3967) derived from the Osteoarthritis Initiative dataset. We show that structural knee MRI allows identifying radiographic KOA progressors on par with multi-modal fusion approaches, achieving an area under the ROC curve (ROC AUC) of 0.70-0.76 and Average Precision (AP) of 0.15-0.54 in 2-8 year horizons. Progression within 1 year was better predicted with a multi-modal method using X-ray, structural, and compositional MR images -- ROC AUC of 0.76(0.04), AP of 0.13(0.04) -- or via clinical data. Our follow-up analysis generally shows that prediction from the imaging data is more accurate for post-traumatic subjects, and we further investigate which subject subgroups may benefit the most. The present study provides novel insights into multi-modal imaging of KOA and brings a unified data-driven framework for studying its progression in an end-to-end manner, providing new tools for the design of more efficient clinical trials. The source code of our framework and the pre-trained models are made publicly available.
Breaking the Attention Bottleneck
Attention-based transformers have become the standard architecture in many deep learning fields, primarily due to their ability to model long-range dependencies and handle variable-length input sequences. However, the attention mechanism with its quadratic complexity is a significant bottleneck in the transformer architecture. This algorithm is only uni-directional in the decoder and converges to a static pattern in over-parametrized decoder-only models. I address this issue by developing a generative function as attention or activation replacement. It still has the auto-regressive character by comparing each token with the previous one. In my test setting with nanoGPT this yields a smaller loss while having a smaller model. The loss further drops by incorporating an average context vector. This concept of attention replacement is distributed under the GNU AGPL v3 license at https://gitlab.com/Bachstelze/causal_generation.
A Review of Sparse Expert Models in Deep Learning
Sparse expert models are a thirty-year old concept re-emerging as a popular architecture in deep learning. This class of architecture encompasses Mixture-of-Experts, Switch Transformers, Routing Networks, BASE layers, and others, all with the unifying idea that each example is acted on by a subset of the parameters. By doing so, the degree of sparsity decouples the parameter count from the compute per example allowing for extremely large, but efficient models. The resulting models have demonstrated significant improvements across diverse domains such as natural language processing, computer vision, and speech recognition. We review the concept of sparse expert models, provide a basic description of the common algorithms, contextualize the advances in the deep learning era, and conclude by highlighting areas for future work.
TEMPO: Prompt-based Generative Pre-trained Transformer for Time Series Forecasting
The past decade has witnessed significant advances in time series modeling with deep learning. While achieving state-of-the-art results, the best-performing architectures vary highly across applications and domains. Meanwhile, for natural language processing, the Generative Pre-trained Transformer (GPT) has demonstrated impressive performance via training one general-purpose model across various textual datasets. It is intriguing to explore whether GPT-type architectures can be effective for time series, capturing the intrinsic dynamic attributes and leading to significant accuracy improvements. In this paper, we propose a novel framework, TEMPO, that can effectively learn time series representations. We focus on utilizing two essential inductive biases of the time series task for pre-trained models: (i) decomposition of the complex interaction between trend, seasonal and residual components; and (ii) introducing the selection-based prompts to facilitate distribution adaptation in non-stationary time series. TEMPO expands the capability for dynamically modeling real-world temporal phenomena from data within diverse domains. Our experiments demonstrate the superior performance of TEMPO over state-of-the-art methods on a number of time series benchmark datasets. This performance gain is observed not only in standard supervised learning settings but also in scenarios involving previously unseen datasets as well as in scenarios with multi-modal inputs. This compelling finding highlights TEMPO's potential to constitute a foundational model-building framework.
Imitating Radiological Scrolling: A Global-Local Attention Model for 3D Chest CT Volumes Multi-Label Anomaly Classification
The rapid increase in the number of Computed Tomography (CT) scan examinations has created an urgent need for automated tools, such as organ segmentation, anomaly classification, and report generation, to assist radiologists with their growing workload. Multi-label classification of Three-Dimensional (3D) CT scans is a challenging task due to the volumetric nature of the data and the variety of anomalies to be detected. Existing deep learning methods based on Convolutional Neural Networks (CNNs) struggle to capture long-range dependencies effectively, while Vision Transformers require extensive pre-training, posing challenges for practical use. Additionally, these existing methods do not explicitly model the radiologist's navigational behavior while scrolling through CT scan slices, which requires both global context understanding and local detail awareness. In this study, we present CT-Scroll, a novel global-local attention model specifically designed to emulate the scrolling behavior of radiologists during the analysis of 3D CT scans. Our approach is evaluated on two public datasets, demonstrating its efficacy through comprehensive experiments and an ablation study that highlights the contribution of each model component.
AD-BERT: Using Pre-trained contextualized embeddings to Predict the Progression from Mild Cognitive Impairment to Alzheimer's Disease
Objective: We develop a deep learning framework based on the pre-trained Bidirectional Encoder Representations from Transformers (BERT) model using unstructured clinical notes from electronic health records (EHRs) to predict the risk of disease progression from Mild Cognitive Impairment (MCI) to Alzheimer's Disease (AD). Materials and Methods: We identified 3657 patients diagnosed with MCI together with their progress notes from Northwestern Medicine Enterprise Data Warehouse (NMEDW) between 2000-2020. The progress notes no later than the first MCI diagnosis were used for the prediction. We first preprocessed the notes by deidentification, cleaning and splitting, and then pretrained a BERT model for AD (AD-BERT) based on the publicly available Bio+Clinical BERT on the preprocessed notes. The embeddings of all the sections of a patient's notes processed by AD-BERT were combined by MaxPooling to compute the probability of MCI-to-AD progression. For replication, we conducted a similar set of experiments on 2563 MCI patients identified at Weill Cornell Medicine (WCM) during the same timeframe. Results: Compared with the 7 baseline models, the AD-BERT model achieved the best performance on both datasets, with Area Under receiver operating characteristic Curve (AUC) of 0.8170 and F1 score of 0.4178 on NMEDW dataset and AUC of 0.8830 and F1 score of 0.6836 on WCM dataset. Conclusion: We developed a deep learning framework using BERT models which provide an effective solution for prediction of MCI-to-AD progression using clinical note analysis.
Transformers are Deep Optimizers: Provable In-Context Learning for Deep Model Training
We investigate the transformer's capability for in-context learning (ICL) to simulate the training process of deep models. Our key contribution is providing a positive example of using a transformer to train a deep neural network by gradient descent in an implicit fashion via ICL. Specifically, we provide an explicit construction of a (2N+4)L-layer transformer capable of simulating L gradient descent steps of an N-layer ReLU network through ICL. We also give the theoretical guarantees for the approximation within any given error and the convergence of the ICL gradient descent. Additionally, we extend our analysis to the more practical setting using Softmax-based transformers. We validate our findings on synthetic datasets for 3-layer, 4-layer, and 6-layer neural networks. The results show that ICL performance matches that of direct training.
Leveraging multi-task learning to improve the detection of SATD and vulnerability
Multi-task learning is a paradigm that leverages information from related tasks to improve the performance of machine learning. Self-Admitted Technical Debt (SATD) are comments in the code that indicate not-quite-right code introduced for short-term needs, i.e., technical debt (TD). Previous research has provided evidence of a possible relationship between SATD and the existence of vulnerabilities in the code. In this work, we investigate if multi-task learning could leverage the information shared between SATD and vulnerabilities to improve the automatic detection of these issues. To this aim, we implemented VulSATD, a deep learner that detects vulnerable and SATD code based on CodeBERT, a pre-trained transformers model. We evaluated VulSATD on MADE-WIC, a fused dataset of functions annotated for TD (through SATD) and vulnerability. We compared the results using single and multi-task approaches, obtaining no significant differences even after employing a weighted loss. Our findings indicate the need for further investigation into the relationship between these two aspects of low-quality code. Specifically, it is possible that only a subset of technical debt is directly associated with security concerns. Therefore, the relationship between different types of technical debt and software vulnerabilities deserves future exploration and a deeper understanding.
Don't be lazy: CompleteP enables compute-efficient deep transformers
We study compute efficiency of LLM training when using different parameterizations, i.e., rules for adjusting model and optimizer hyperparameters (HPs) as model size changes. Some parameterizations fail to transfer optimal base HPs (such as learning rate) across changes in model depth, requiring practitioners to either re-tune these HPs as they scale up (expensive), or accept sub-optimal training when re-tuning is prohibitive. Even when they achieve HP transfer, we develop theory to show parameterizations may still exist in the lazy learning regime where layers learn only features close to their linearization, preventing effective use of depth and nonlinearity. Finally, we identify and adopt the parameterization we call CompleteP that achieves both depth-wise HP transfer and non-lazy learning in all layers. CompleteP enables a wider range of model width/depth ratios to remain compute-efficient, unlocking shapes better suited for different hardware settings and operational contexts. Moreover, CompleteP enables 12-34% compute efficiency improvements over the prior state-of-the-art.
The Multi-modality Cell Segmentation Challenge: Towards Universal Solutions
Cell segmentation is a critical step for quantitative single-cell analysis in microscopy images. Existing cell segmentation methods are often tailored to specific modalities or require manual interventions to specify hyperparameters in different experimental settings. Here, we present a multi-modality cell segmentation benchmark, comprising over 1500 labeled images derived from more than 50 diverse biological experiments. The top participants developed a Transformer-based deep-learning algorithm that not only exceeds existing methods, but can also be applied to diverse microscopy images across imaging platforms and tissue types without manual parameter adjustments. This benchmark and the improved algorithm offer promising avenues for more accurate and versatile cell analysis in microscopy imaging.
