Remaining Useful Life (RUL) estimation is a fundamental task in the prognostic and health management (PHM) of industrial equipment and systems. To this end, we propose a novel approach for RUL estimation in this paper, based on deep neural architecture due to its great success in sequence learning. Specifically, we take the Transformer encoder as the backbone of our model to capture short- and ...Many Transformer-based NLP models were specifically created for transfer learning [ 3, 4]. Transfer learning describes an approach where a model is first pre-trained on large unlabeled text corpora using self-supervised learning [5]. Then it is minimally adjusted during fine-tuning on a specific NLP (downstream) task [3].Attention (machine learning) Machine learning -based attention is a mechanism mimicking cognitive attention. It calculates "soft" weights for each word, more precisely for its embedding, in the context window. It can do it either in parallel (such as in transformers) or sequentially (such as recursive neural networks ).This paper presents the first-ever transformer-based neural machine translation model for the Kurdish language by utilizing vocabulary dictionary units that share vocabulary across the dataset.Oct 4, 2021 · Download a PDF of the paper titled HyperTeNet: Hypergraph and Transformer-based Neural Network for Personalized List Continuation, by Vijaikumar M and 2 other authors Download PDF Abstract: The personalized list continuation (PLC) task is to curate the next items to user-generated lists (ordered sequence of items) in a personalized way. A Transformer is a type of neural network architecture. To recap, neural nets are a very effective type of model for analyzing complex data types like images, videos, audio, and text. But there are different types of neural networks optimized for different types of data. For example, for analyzing images, we’ll typically use convolutional ...Since there is no reconstruction of the EEG data format, the temporal and spatial properties of the EEG data cannot be extracted efficiently. To address the aforementioned issues, this research proposes a multi-channel EEG emotion identification model based on the parallel transformer and three-dimensional convolutional neural networks (3D-CNN).An accuracy of 64% over the datasets with an F1 score of 0.64 was achieved. A neural network with only compound sentiment was found to perform similar to one using both compound sentiment and retweet rate (Ezeakunne et al., 2020). In recent years, transformer-based models, like BERT has been explored for the task of fake news classification.State-of-the-art Machine Learning for PyTorch, TensorFlow, and JAX. 🤗 Transformers provides APIs and tools to easily download and train state-of-the-art pretrained models. Using pretrained models can reduce your compute costs, carbon footprint, and save you the time and resources required to train a model from scratch. Transformer-based encoder-decoder models are the result of years of research on representation learning and model architectures. This notebook provides a short summary of the history of neural encoder-decoder models. For more context, the reader is advised to read this awesome blog post by Sebastion Ruder. Jun 28, 2022 · The transformer neural network is a novel architecture that aims to solve sequence-to-sequence tasks while handling long-range dependencies with ease. It was first proposed in the paper “Attention Is All You Need.” and is now a state-of-the-art technique in the field of NLP. denoising performance. Fortunately, transformer neural network can resolve the long-dependency problem effectively and operate well in parallel, showing good performance on many natural language processing tasks [13]. In [14], the authors proposed a transformer-based network for speech enhancement while it has relatively large model size.Apr 30, 2020 · Recurrent Neural networks try to achieve similar things, but because they suffer from short term memory. Transformers can be better especially if you want to encode or generate long sequences. Because of the transformer architecture, the natural language processing industry can achieve unprecedented results. Transformers are a type of neural network architecture that have several properties that make them effective for modeling data with long-range dependencies. They generally feature a combination of multi-headed attention mechanisms, residual connections, layer normalization, feedforward connections, and positional embeddings.Feb 26, 2023 · Atom-bond transformer-based message-passing neural network Model architecture. The architecture of the proposed atom-bond Transformer-based message-passing neural network (ABT-MPNN) is shown in Fig. 1. As previously defined, the MPNN framework consists of a message-passing phase and a readout phase to aggregate local features to a global ... In modern capital market the price of a stock is often considered to be highly volatile and unpredictable because of various social, financial, political and other dynamic factors. With calculated and thoughtful investment, stock market can ensure a handsome profit with minimal capital investment, while incorrect prediction can easily bring catastrophic financial loss to the investors. This ...1. What is the Transformer model? 2. Transformer model: general architecture 2.1. The Transformer encoder 2.2. The Transformer decoder 3. What is the Transformer neural network? 3.1. Transformer neural network design 3.2. Feed-forward network 4. Functioning in brief 4.1. Multi-head attention 4.2. Masked multi-head attention 4.3. Residual connectionWe have made the following contributions to this paper: (i) A transformer neural network-based deep learning model (ECG-ViT) to solve the ECG classification problem (ii) Cascade distillation approach to reduce the complexity of the ECG-ViT classifier (iii) Testing and validating of the ECG-ViT model on FPGA. 2.So the next type of recurrent neural network is the Gated Recurrent Neural Network also referred to as GRUs. It is a type of recurrent neural network that is in certain cases is advantageous over long short-term memory. GRU makes use of less memory and also is faster than LSTM. But the thing is LSTMs are more accurate while using longer datasets.In this paper, we propose a transformer-based architecture, called two-stage transformer neural network (TSTNN) for end-to-end speech denoising in the time domain. The proposed model is composed of an encoder, a two-stage transformer module (TSTM), a masking module and a decoder. The encoder maps input noisy speech into feature representation. The TSTM exploits four stacked two-stage ...Apr 17, 2021 · Deep learning is also a promising approach towards the detection and classification of fake news. Kaliyar et al. proved the superiority of using deep neural networks as opposed to traditional machine learning algorithms in the detection. The use of deep diffusive neural networks for the same task has been demonstrated in Zhang et al. . A transformer is a deep learning architecture that relies on the parallel multi-head attention mechanism. [1] The modern transformer was proposed in the 2017 paper titled 'Attention Is All You Need' by Ashish Vaswani et al., Google Brain team.Apr 17, 2021 · Deep learning is also a promising approach towards the detection and classification of fake news. Kaliyar et al. proved the superiority of using deep neural networks as opposed to traditional machine learning algorithms in the detection. The use of deep diffusive neural networks for the same task has been demonstrated in Zhang et al. . Jul 6, 2020 · A Transformer is a neural network architecture that uses a self-attention mechanism, allowing the model to focus on the relevant parts of the time-series to improve prediction qualities. The self-attention mechanism consists of a Single-Head Attention and Multi-Head Attention layer. We have made the following contributions to this paper: (i) A transformer neural network-based deep learning model (ECG-ViT) to solve the ECG classification problem (ii) Cascade distillation approach to reduce the complexity of the ECG-ViT classifier (iii) Testing and validating of the ECG-ViT model on FPGA. 2.Vaswani et al. proposed a simple yet effective change to the Neural Machine Translation models. An excerpt from the paper best describes their proposal. We propose a new simple network architecture, the Transformer, based solely on attention mechanisms, dispensing with recurrence and convolutions entirely.Mar 25, 2022 · A transformer model is a neural network that learns context and thus meaning by tracking relationships in sequential data like the words in this sentence. March 25, 2022 by Rick Merritt If you want to ride the next big wave in AI, grab a transformer. They’re not the shape-shifting toy robots on TV or the trash-can-sized tubs on telephone poles. Vaswani et al. proposed a simple yet effective change to the Neural Machine Translation models. An excerpt from the paper best describes their proposal. We propose a new simple network architecture, the Transformer, based solely on attention mechanisms, dispensing with recurrence and convolutions entirely.In this paper, we propose a transformer-based architecture, called two-stage transformer neural network (TSTNN) for end-to-end speech denoising in the time domain. The proposed model is composed of an encoder, a two-stage transformer module (TSTM), a masking module and a decoder. The encoder maps input noisy speech into feature representation. The TSTM exploits four stacked two-stage ... denoising performance. Fortunately, transformer neural network can resolve the long-dependency problem effectively and operate well in parallel, showing good performance on many natural language processing tasks [13]. In [14], the authors proposed a transformer-based network for speech enhancement while it has relatively large model size.Jan 6, 2023 · The number of sequential operations required by a recurrent layer is based on the sequence length, whereas this number remains constant for a self-attention layer. In convolutional neural networks, the kernel width directly affects the long-term dependencies that can be established between pairs of input and output positions. Transformer. A Transformer is a model architecture that eschews recurrence and instead relies entirely on an attention mechanism to draw global dependencies between input and output. Before Transformers, the dominant sequence transduction models were based on complex recurrent or convolutional neural networks that include an encoder and a decoder.A Text-to-Speech Transformer in TensorFlow 2. Implementation of a non-autoregressive Transformer based neural network for Text-to-Speech (TTS). This repo is based, among others, on the following papers: Neural Speech Synthesis with Transformer Network; FastSpeech: Fast, Robust and Controllable Text to SpeechThis characteristic allows the model to learn the context of a word based on all of its surroundings (left and right of the word). The chart below is a high-level description of the Transformer encoder. The input is a sequence of tokens, which are first embedded into vectors and then processed in the neural network.Vaswani et al. proposed a simple yet effective change to the Neural Machine Translation models. An excerpt from the paper best describes their proposal. We propose a new simple network architecture, the Transformer, based solely on attention mechanisms, dispensing with recurrence and convolutions entirely.In this paper, we propose a transformer-based architecture, called two-stage transformer neural network (TSTNN) for end-to-end speech denoising in the time domain. The proposed model is composed of an encoder, a two-stage transformer module (TSTM), a masking module and a decoder. The encoder maps input noisy speech into feature representation. The TSTM exploits four stacked two-stage ...We present SMILES-embeddings derived from the internal encoder state of a Transformer [1] model trained to canonize SMILES as a Seq2Seq problem. Using a CharNN [2] architecture upon the embeddings results in higher quality interpretable QSAR/QSPR models on diverse benchmark datasets including regression and classification tasks. The proposed Transformer-CNN method uses SMILES augmentation for ...Feb 10, 2020 · We present an attention-based neural network module, the Set Transformer, specifically designed to model interactions among elements in the input set. The model consists of an encoder and a decoder, both of which rely on attention mechanisms. In an effort to reduce computational complexity, we introduce an attention scheme inspired by inducing ... 1. Background. Lets start with the two keywords, Transformers and Graphs, for a background. Transformers. Transformers [1] based neural networks are the most successful architectures for representation learning in Natural Language Processing (NLP) overcoming the bottlenecks of Recurrent Neural Networks (RNNs) caused by the sequential processing.Remaining Useful Life (RUL) estimation is a fundamental task in the prognostic and health management (PHM) of industrial equipment and systems. To this end, we propose a novel approach for RUL estimation in this paper, based on deep neural architecture due to its great success in sequence learning. Specifically, we take the Transformer encoder as the backbone of our model to capture short- and ...Apr 3, 2020 · In this paper, a novel Transformer-based neural network (TBNN) model is proposed to deal with the processed sensor signals for tool wear estimation. It is observed from figure 3 that the proposed model is mainly composed of two parts, which are (1) encoder, and (2) decoder. Firstly, the raw multi-sensor data is processed by temporal feature ... Vaswani et al. proposed a simple yet effective change to the Neural Machine Translation models. An excerpt from the paper best describes their proposal. We propose a new simple network architecture, the Transformer, based solely on attention mechanisms, dispensing with recurrence and convolutions entirely.We highlight a relatively new group of neural networks known as Transformers (Vaswani et al., 2017) and explain why these models are suitable for construct-specific AIG and subsequently propose a method for fine-tuning such models to this task. Finally, we provide evidence for the validity of this method by comparing human- and machine-authored ...Jun 25, 2021 · Build the model. Our model processes a tensor of shape (batch size, sequence length, features) , where sequence length is the number of time steps and features is each input timeseries. You can replace your classification RNN layers with this one: the inputs are fully compatible! We include residual connections, layer normalization, and dropout. Sep 14, 2021 · Predicting the behaviors of other agents on the road is critical for autonomous driving to ensure safety and efficiency. However, the challenging part is how to represent the social interactions between agents and output different possible trajectories with interpretability. In this paper, we introduce a neural prediction framework based on the Transformer structure to model the relationship ... Jan 6, 2023 · The number of sequential operations required by a recurrent layer is based on the sequence length, whereas this number remains constant for a self-attention layer. In convolutional neural networks, the kernel width directly affects the long-term dependencies that can be established between pairs of input and output positions. A hybrid deep network based on the convolutional neural network and long-term short-term memory network is proposed to extract and learn the spatial and temporal features of the MI signal ...vision and achieved brilliant results [11]. So far, Transformer based models become very powerful in many fields with wide applicability, and are more in-terpretable compared with other neural networks[38]. Transformer has excellent feature extraction ability, and the extracted features have better performance on downstream tasks. Attention (machine learning) Machine learning -based attention is a mechanism mimicking cognitive attention. It calculates "soft" weights for each word, more precisely for its embedding, in the context window. It can do it either in parallel (such as in transformers) or sequentially (such as recursive neural networks ). A similar story is playing out among the tools of artificial intelligence. That versatile new hammer is a kind of artificial neural network — a network of nodes that “learn” how to do some task by training on existing data — called a transformer. It was originally designed to handle language, but has recently begun impacting other AI ...GPT-3. Generative Pre-trained Transformer 3 ( GPT-3) is a large language model released by OpenAI in 2020. Like its predecessor GPT-2, it is a decoder-only transformer model of deep neural network, which uses attention in place of previous recurrence- and convolution-based architectures. [2]Recently, there has been a surge of Transformer-based solutions for the long-term time series forecasting (LTSF) task. Despite the growing performance over the past few years, we question the validity of this line of research in this work. Specifically, Transformers is arguably the most successful solution to extract the semantic correlations among the elements in a long sequence. However, in ...Jan 26, 2021 · Deep Neural Networks can learn linear and periodic components on their own, during training (we will use Time 2 Vec later). That said, I would advise against seasonal decomposition as a preprocessing step. Other decisions such as calculating aggregates and pairwise differences, depend on the nature of your data, and what you want to predict. To the best of our knowledge, this is the first study to model the sentiment corpus as a heterogeneous graph and learn document and word embeddings using the proposed sentiment graph transformer neural network. In addition, our model offers an easy mechanism to fuse node positional information for graph datasets using Laplacian eigenvectors.1. What is the Transformer model? 2. Transformer model: general architecture 2.1. The Transformer encoder 2.2. The Transformer decoder 3. What is the Transformer neural network? 3.1. Transformer neural network design 3.2. Feed-forward network 4. Functioning in brief 4.1. Multi-head attention 4.2. Masked multi-head attention 4.3. Residual connectionMay 2, 2022 · In recent years, the transformer model has become one of the main highlights of advances in deep learning and deep neural networks. It is mainly used for advanced applications in natural language processing. Google is using it to enhance its search engine results. OpenAI has used transformers to create its famous GPT-2 and GPT-3 models. Jun 25, 2021 · Build the model. Our model processes a tensor of shape (batch size, sequence length, features) , where sequence length is the number of time steps and features is each input timeseries. You can replace your classification RNN layers with this one: the inputs are fully compatible! We include residual connections, layer normalization, and dropout. ing [8] have been widely used for deep neural networks in the computer vision field. It has also been used to accelerate Transformer-based DNNs due to the enormous parameters or model size of the Transformer. With weight pruning, the size of the Transformer can be significantly reduced without much prediction accuracy degradation [9 ...Remaining Useful Life (RUL) estimation is a fundamental task in the prognostic and health management (PHM) of industrial equipment and systems. To this end, we propose a novel approach for RUL estimation in this paper, based on deep neural architecture due to its great success in sequence learning. Specifically, we take the Transformer encoder as the backbone of our model to capture short- and ...Abstract. Combining multiple models is a well-known technique to improve predictive performance in challenging tasks such as object detection in UAV imagery. In this paper, we propose fusion of transformer-based and convolutional neural network-based (CNN) models with two approaches. First, we ensemble Swin Transformer and DetectoRS with ResNet ...denoising performance. Fortunately, transformer neural network can resolve the long-dependency problem effectively and operate well in parallel, showing good performance on many natural language processing tasks [13]. In [14], the authors proposed a transformer-based network for speech enhancement while it has relatively large model size.A transformer model is a neural network that learns context and thus meaning by tracking relationships in sequential data like the words in this sentence. March 25, 2022 by Rick Merritt If you want to ride the next big wave in AI, grab a transformer. They’re not the shape-shifting toy robots on TV or the trash-can-sized tubs on telephone poles.Jul 31, 2022 · We have made the following contributions to this paper: (i) A transformer neural network-based deep learning model (ECG-ViT) to solve the ECG classification problem (ii) Cascade distillation approach to reduce the complexity of the ECG-ViT classifier (iii) Testing and validating of the ECG-ViT model on FPGA. 2. We propose a novel recognition model which can effectively identify the vehicle colors. We skillfully interpolate the Transformer into recognition model to enhance the feature learning capacity of conventional neural networks, and specially design a hierarchical loss function through in-depth analysis of the proposed dataset. Transformers are a type of neural network architecture that have been gaining popularity. Transformers were recently used by OpenAI in their language models, and also used recently by DeepMind for AlphaStar — their program to defeat a top professional Starcraft player.Jan 26, 2021 · Deep Neural Networks can learn linear and periodic components on their own, during training (we will use Time 2 Vec later). That said, I would advise against seasonal decomposition as a preprocessing step. Other decisions such as calculating aggregates and pairwise differences, depend on the nature of your data, and what you want to predict. a neural prediction framework based on the Transformer structure to model the relationship among the interacting agents and extract the attention of the target agent on the map waypoints. Specifically, we organize the interacting agents into a graph and utilize the multi-head attention Transformer encoder to extract the relations between them ... The transformer neural network is a novel architecture that aims to solve sequence-to-sequence tasks while handling long-range dependencies with ease. It was first proposed in the paper “Attention Is All You Need.” and is now a state-of-the-art technique in the field of NLP.convolutional neural networks that include an encoder and a decoder. The best performing models also connect the encoder and decoder through an attention mechanism. We propose a new simple network architecture, the Transformer, based solely on attention mechanisms, dispensing with recurrence and convolutions entirely.We present SMILES-embeddings derived from the internal encoder state of a Transformer [1] model trained to canonize SMILES as a Seq2Seq problem. Using a CharNN [2] architecture upon the embeddings results in higher quality interpretable QSAR/QSPR models on diverse benchmark datasets including regression and classification tasks. The proposed Transformer-CNN method uses SMILES augmentation for ...a neural prediction framework based on the Transformer structure to model the relationship among the interacting agents and extract the attention of the target agent on the map waypoints. Specifically, we organize the interacting agents into a graph and utilize the multi-head attention Transformer encoder to extract the relations between them ... This characteristic allows the model to learn the context of a word based on all of its surroundings (left and right of the word). The chart below is a high-level description of the Transformer encoder. The input is a sequence of tokens, which are first embedded into vectors and then processed in the neural network.EIS contains rich information such as material properties and electrochemical reactions, which directly reflects the aging state of LIBs. In order to obtain valuable data for SOH estimation, we propose a new feature extraction method from the perspective of electrochemistry, and then apply the transformer-based neural network for SOH estimation.Ravi et al. (2019) analyze the application of artificial neural networks, support vector machines, decision trees and plain Bayes in transformer fault diagnosis from the literature spanning 10 years. The authors point out that the development of new algorithms is necessary to improve diagnostic accuracy.Jul 20, 2021 · 6 Citations 25 Altmetric Metrics Abstract We developed a Transformer-based artificial neural approach to translate between SMILES and IUPAC chemical notations: Struct2IUPAC and IUPAC2Struct.... Vaswani et al. proposed a simple yet effective change to the Neural Machine Translation models. An excerpt from the paper best describes their proposal. We propose a new simple network architecture, the Transformer, based solely on attention mechanisms, dispensing with recurrence and convolutions entirely.Download a PDF of the paper titled HyperTeNet: Hypergraph and Transformer-based Neural Network for Personalized List Continuation, by Vijaikumar M and 2 other authors Download PDF Abstract: The personalized list continuation (PLC) task is to curate the next items to user-generated lists (ordered sequence of items) in a personalized way.Transformers are deep neural networks that replace CNNs and RNNs with self-attention. Self attention allows Transformers to easily transmit information across the input sequences. As explained in the Google AI Blog post:Jan 15, 2023 · This paper presents the first-ever transformer-based neural machine translation model for the Kurdish language by utilizing vocabulary dictionary units that share vocabulary across the dataset. Apr 17, 2021 · Deep learning is also a promising approach towards the detection and classification of fake news. Kaliyar et al. proved the superiority of using deep neural networks as opposed to traditional machine learning algorithms in the detection. The use of deep diffusive neural networks for the same task has been demonstrated in Zhang et al. . Oct 4, 2021 · Download a PDF of the paper titled HyperTeNet: Hypergraph and Transformer-based Neural Network for Personalized List Continuation, by Vijaikumar M and 2 other authors Download PDF Abstract: The personalized list continuation (PLC) task is to curate the next items to user-generated lists (ordered sequence of items) in a personalized way.
A hybrid deep network based on the convolutional neural network and long-term short-term memory network is proposed to extract and learn the spatial and temporal features of the MI signal .... Scholastic chairperson
Jan 26, 2021 · Deep Neural Networks can learn linear and periodic components on their own, during training (we will use Time 2 Vec later). That said, I would advise against seasonal decomposition as a preprocessing step. Other decisions such as calculating aggregates and pairwise differences, depend on the nature of your data, and what you want to predict. Jun 25, 2021 · Build the model. Our model processes a tensor of shape (batch size, sequence length, features) , where sequence length is the number of time steps and features is each input timeseries. You can replace your classification RNN layers with this one: the inputs are fully compatible! We include residual connections, layer normalization, and dropout. Recently, Transformer-based models demonstrated state-of-the-art results on neural machine translation tasks 34,35. We adopt Transformer to generate molecules. We adopt Transformer to generate ...Mar 25, 2022 · A transformer model is a neural network that learns context and thus meaning by tracking relationships in sequential data like the words in this sentence. March 25, 2022 by Rick Merritt If you want to ride the next big wave in AI, grab a transformer. They’re not the shape-shifting toy robots on TV or the trash-can-sized tubs on telephone poles. Sep 5, 2022 · Vaswani et al. proposed a simple yet effective change to the Neural Machine Translation models. An excerpt from the paper best describes their proposal. We propose a new simple network architecture, the Transformer, based solely on attention mechanisms, dispensing with recurrence and convolutions entirely. Feb 21, 2019 · The recent Transformer neural network is considered to be good at extracting the global information by employing only self-attention mechanism. Thus, in this paper, we design a Transformer-based neural network for answer selection, where we deploy a bidirectional long short-term memory (BiLSTM) behind the Transformer to acquire both global ... Jun 1, 2022 · An accuracy of 64% over the datasets with an F1 score of 0.64 was achieved. A neural network with only compound sentiment was found to perform similar to one using both compound sentiment and retweet rate (Ezeakunne et al., 2020). In recent years, transformer-based models, like BERT has been explored for the task of fake news classification. May 1, 2022 · This paper proposes a novel Transformer based deep neural network, ECG DETR, that performs arrhythmia detection on single-lead continuous ECG segments. By utilizing inter-heartbeat dependencies, our proposed scheme achieves competitive heartbeat positioning and classification performance compared with the existing works. a neural prediction framework based on the Transformer structure to model the relationship among the interacting agents and extract the attention of the target agent on the map waypoints. Specifically, we organize the interacting agents into a graph and utilize the multi-head attention Transformer encoder to extract the relations between them ...denoising performance. Fortunately, transformer neural network can resolve the long-dependency problem effectively and operate well in parallel, showing good performance on many natural language processing tasks [13]. In [14], the authors proposed a transformer-based network for speech enhancement while it has relatively large model size.Jun 1, 2022 · An accuracy of 64% over the datasets with an F1 score of 0.64 was achieved. A neural network with only compound sentiment was found to perform similar to one using both compound sentiment and retweet rate (Ezeakunne et al., 2020). In recent years, transformer-based models, like BERT has been explored for the task of fake news classification. We present SMILES-embeddings derived from the internal encoder state of a Transformer [1] model trained to canonize SMILES as a Seq2Seq problem. Using a CharNN [2] architecture upon the embeddings results in higher quality interpretable QSAR/QSPR models on diverse benchmark datasets including regression and classification tasks. The proposed Transformer-CNN method uses SMILES augmentation for ...To fully use the bilingual associative knowledge learned from the bilingual parallel corpus through the Transformer model, we propose a Transformer-based unified neural network for quality estimation (TUNQE) model, which is a combination of the bottleneck layer of the Transformer model with a bidirectional long short-term memory network (Bi ...Many Transformer-based NLP models were specifically created for transfer learning [ 3, 4]. Transfer learning describes an approach where a model is first pre-trained on large unlabeled text corpora using self-supervised learning [5]. Then it is minimally adjusted during fine-tuning on a specific NLP (downstream) task [3].vision and achieved brilliant results [11]. So far, Transformer based models become very powerful in many fields with wide applicability, and are more in-terpretable compared with other neural networks[38]. Transformer has excellent feature extraction ability, and the extracted features have better performance on downstream tasks. The architecture of the proposed atom-bond Transformer-based message-passing neural network (ABT-MPNN) is shown in Fig. 1. As previously defined, the MPNN framework consists of a message-passing phase and a readout phase to aggregate local features to a global representation for each molecule..