Recent technological advancements have led to a large number of patents in a diverse range of domains, making it challenging for human experts to analyze and manage. State-of-the-art methods for multi-label patent classification rely on deep neural networks (DNNs), which are complex and often considered black-boxes due to their opaque decision-making processes. In this paper, we propose a novel deep explainable patent classification framework by introducing layer-wise relevance propagation (LRP) to provide human-understandable explanations for predictions. We train several DNN models, including Bi-LSTM, CNN, and CNN-BiLSTM, and propagate the predictions backward from the output layer up to the input layer of the model to identify the relevance of words for individual predictions. Considering the relevance score, we then generate explanations by visualizing relevant words for the predicted patent class. Experimental results on two datasets comprising two-million patent texts demonstrate high performance in terms of various evaluation measures. The explanations generated for each prediction highlight important relevant words that align with the predicted class, making the prediction more understandable. Explainable systems have the potential to facilitate the adoption of complex AI-enabled methods for patent classification in real-world applications.
This book aims to provide an introduction to the topic of deep learning algorithms. We review essential components of deep learning algorithms in full mathematical detail including different artificial neural network (ANN) architectures (such as fully-connected feedforward ANNs, convolutional ANNs, recurrent ANNs, residual ANNs, and ANNs with batch normalization) and different optimization algorithms (such as the basic stochastic gradient descent (SGD) method, accelerated methods, and adaptive methods). We also cover several theoretical aspects of deep learning algorithms such as approximation capacities of ANNs (including a calculus for ANNs), optimization theory (including Kurdyka-{\L}ojasiewicz inequalities), and generalization errors. In the last part of the book some deep learning approximation methods for PDEs are reviewed including physics-informed neural networks (PINNs) and deep Galerkin methods. We hope that this book will be useful for students and scientists who do not yet have any background in deep learning at all and would like to gain a solid foundation as well as for practitioners who would like to obtain a firmer mathematical understanding of the objects and methods considered in deep learning.
We consider the problem of antibody sequence design given 3D structural information. Building on previous work, we propose a fine-tuned inverse folding model that is specifically optimised for antibody structures and outperforms generic protein models on sequence recovery and structure robustness when applied on antibodies, with notable improvement on the hypervariable CDR-H3 loop. We study the canonical conformations of complementarity-determining regions and find improved encoding of these loops into known clusters. Finally, we consider the applications of our model to drug discovery and binder design and evaluate the quality of proposed sequences using physics-based methods.
This work presents a deep-learning approach to estimate atmospheric density profiles for use in planetary entry guidance problems. A long short-term memory (LSTM) neural network is trained to learn the mapping between measurements available onboard an entry vehicle and the density profile through which it is flying. Measurements include the spherical state representation, Cartesian sensed acceleration components, and a surface-pressure measurement. Training data for the network is initially generated by performing a Monte Carlo analysis of an entry mission at Mars using the fully numerical predictor-corrector guidance (FNPEG) algorithm that utilizes an exponential density model, while the truth density profiles are sampled from MarsGRAM. A curriculum learning procedure is developed to refine the LSTM network's predictions for integration within the FNPEG algorithm. The trained LSTM is capable of both predicting the density profile through which the vehicle will fly and reconstructing the density profile through which it has already flown. The performance of the FNPEG algorithm is assessed for three different density estimation techniques: an exponential model, an exponential model augmented with a first-order fading-memory filter, and the LSTM network. Results demonstrate that using the LSTM model results in superior terminal accuracy compared to the other two techniques when considering both noisy and noiseless measurements.
Variational autoencoders (VAEs) are deep probabilistic models that are used in scientific applications. Many works try to mitigate this problem from the probabilistic methods perspective by new inference techniques or training procedures. In this paper, we approach the problem instead from the deep learning perspective by investigating the effectiveness of using synthetic data and overparameterization for improving the generalization performance. Our motivation comes from (1) the recent discussion on whether the increasing amount of publicly accessible synthetic data will improve or hurt currently trained generative models; and (2) the modern deep learning insights that overparameterization improves generalization. Our investigation shows how both training on samples from a pre-trained diffusion model, and using more parameters at certain layers are able to effectively mitigate overfitting in VAEs, therefore improving their generalization, amortized inference, and robustness performance. Our study provides timely insights in the current era of synthetic data and scaling laws.
The challenge of approximating functions in infinite-dimensional spaces from finite samples is widely regarded as formidable. We delve into the challenging problem of the numerical approximation of Sobolev-smooth functions defined on probability spaces. Our particular focus centers on the Wasserstein distance function, which serves as a relevant example. In contrast to the existing body of literature focused on approximating efficiently pointwise evaluations, we chart a new course to define functional approximants by adopting three machine learning-based approaches: 1. Solving a finite number of optimal transport problems and computing the corresponding Wasserstein potentials. 2. Employing empirical risk minimization with Tikhonov regularization in Wasserstein Sobolev spaces. 3. Addressing the problem through the saddle point formulation that characterizes the weak form of the Tikhonov functional's Euler-Lagrange equation. We furnish explicit and quantitative bounds on generalization errors for each of these solutions. We leverage the theory of metric Sobolev spaces and we combine it with techniques of optimal transport, variational calculus, and large deviation bounds. In our numerical implementation, we harness appropriately designed neural networks to serve as basis functions. These networks undergo training using diverse methodologies. This approach allows us to obtain approximating functions that can be rapidly evaluated after training. Our constructive solutions significantly enhance at equal accuracy the evaluation speed, surpassing that of state-of-the-art methods by several orders of magnitude. This allows evaluations over large datasets several times faster, including training, than traditional optimal transport algorithms. Our analytically designed deep learning architecture slightly outperforms the test error of state-of-the-art CNN architectures on datasets of images.
This paper aims to briefly survey deep learning methods for visual navigation of underwater robotics. The scope of this paper includes the visual perception of underwater robotics with deep learning methods, the available visual underwater datasets, imitation learning, and reinforcement learning methods for navigation. Additionally, relevant works will be categorized under the imitation learning or deep learning paradigm for underwater robots for clarity of the training methodologies in the current landscape. Literature that uses deep learning algorithms to process non-visual data for underwater navigation will not be considered, except as contrasting examples.
Objective: Sleep spindles contain crucial brain dynamics information. We introduce the novel non-linear time-frequency analysis tool 'Concentration of Frequency and Time' (ConceFT) to create an interpretable automated algorithm for sleep spindle annotation in EEG data and to measure spindle instantaneous frequencies (IFs). Methods: ConceFT effectively reduces stochastic EEG influence, enhancing spindle visibility in the time-frequency representation. Our automated spindle detection algorithm, ConceFT-Spindle (ConceFT-S), is compared to A7 (non-deep learning) and SUMO (deep learning) using Dream and MASS benchmark databases. We also quantify spindle IF dynamics. Results: ConceFT-S achieves F1 scores of 0.749 in Dream and 0.786 in MASS, which is equivalent to or surpass A7 and SUMO with statistical significance. We reveal that spindle IF is generally nonlinear. Conclusion: ConceFT offers an accurate, interpretable EEG-based sleep spindle detection algorithm and enables spindle IF quantification.
Today, deep learning optimization is primarily driven by research focused on achieving high inference accuracy and reducing latency. However, the energy efficiency aspect is often overlooked, possibly due to a lack of sustainability mindset in the field and the absence of a holistic energy dataset. In this paper, we conduct a threefold study, including energy measurement, prediction, and efficiency scoring, with an objective to foster transparency in power and energy consumption within deep learning across various edge devices. Firstly, we present a detailed, first-of-its-kind measurement study that uncovers the energy consumption characteristics of on-device deep learning. This study results in the creation of three extensive energy datasets for edge devices, covering a wide range of kernels, state-of-the-art DNN models, and popular AI applications. Secondly, we design and implement the first kernel-level energy predictors for edge devices based on our kernel-level energy dataset. Evaluation results demonstrate the ability of our predictors to provide consistent and accurate energy estimations on unseen DNN models. Lastly, we introduce two scoring metrics, PCS and IECS, developed to convert complex power and energy consumption data of an edge device into an easily understandable manner for edge device end-users. We hope our work can help shift the mindset of both end-users and the research community towards sustainability in edge computing, a principle that drives our research. Find data, code, and more up-to-date information at https://amai-gsu.github.io/DeepEn2023.
Machine learning applications for longitudinal electronic health records often forecast the risk of events at fixed time points, whereas survival analysis achieves dynamic risk prediction by estimating time-to-event distributions. Here, we propose a novel conditional variational autoencoder-based method, DySurv, which uses a combination of static and longitudinal measurements from electronic health records to estimate the individual risk of death dynamically. DySurv directly estimates the cumulative risk incidence function without making any parametric assumptions on the underlying stochastic process of the time-to-event. We evaluate DySurv on 6 time-to-event benchmark datasets in healthcare, as well as 2 real-world intensive care unit (ICU) electronic health records (EHR) datasets extracted from the eICU Collaborative Research (eICU) and the Medical Information Mart for Intensive Care database (MIMIC-IV). DySurv outperforms other existing statistical and deep learning approaches to time-to-event analysis across concordance and other metrics. It achieves time-dependent concordance of over 60% in the eICU case. It is also over 12% more accurate and 22% more sensitive than in-use ICU scores like Acute Physiology and Chronic Health Evaluation (APACHE) and Sequential Organ Failure Assessment (SOFA) scores. The predictive capacity of DySurv is consistent and the survival estimates remain disentangled across different datasets. Our interdisciplinary framework successfully incorporates deep learning, survival analysis, and intensive care to create a novel method for time-to-event prediction from longitudinal health records. We test our method on several held-out test sets from a variety of healthcare datasets and compare it to existing in-use clinical risk scoring benchmarks.
The cross-pollination between causal discovery and deep learning has led to increasingly extensive interactions. It results in a large number of deep learning data types (such as images, text, etc.) extending into the field of causal discovery, and a multitude of deep learning tasks have begun to utilize causal discovery to explore the internal causal structure and causal representation of data. In this paper, we first identified that a complex data type, ``Indefinite Data", has conflicts between causal relationships expressed by the causal structure and causal representation generated by deep learning models, a phenomenon referred to as causal inconsistency. We thoroughly analyzed related work to explain why only Indefinite Data exhibits causal inconsistency while other data types do not. Furthermore, to alleviate causal inconsistency, we proposed a self-supervised learning (SSL) framework based on intervention, hoping to provide more causal information from different intervention views to promote consistency between structure and representation. Extensive experiments have shown that the SSL framework enhances causal consistency and can further improve causal structure and representation learning performance. Additionally, we extended the SSL framework to three different downstream tasks and LLM instructions. The quantitative results of these applications all reflect the performance improvement brought about by causal consistency.
The rising popularity of deep learning (DL) methods and techniques has invigorated interest in the topic of SE4DL (Software Engineering for Deep Learning), the application of software engineering (SE) practices on deep learning software. Despite the novel engineering challenges brought on by the data-driven and non-deterministic paradigm of DL software, little work has been invested into developing DL-targeted SE tools. On the other hand, tools tackling non-SE issues specific to DL are actively used and referred to under the umbrella term "MLOps (Machine Learning Operations) tools". Nevertheless, the available literature supports the utility of conventional SE tooling in DL software development. Building upon previous mining software repositories (MSR) research on tool usage in open-source software works, we identify conventional and MLOps tools adopted in popular applied DL projects that use Python as the main programming language. About 63\% of the GitHub repositories we examined contained at least one conventional SE tool. Software construction tools are the most widely adopted, while the opposite applies to management and maintenance tools. Relatively few MLOps tools were found to be use, with only 20 tools out of a sample of 74 used in at least one repository. The majority of them were open-source rather than proprietary. One of these tools, TensorBoard, was found to be adopted in about half of the repositories in our study. Consequently, the widespread use of conventional SE tooling demonstrates its relevance to DL software. Further research is recommended on the adoption of MLOps tooling, focusing on the relevance of particular tool types, the development of required tools, as well as ways to promote the use of already available tools.
Prediction and discovery of new materials with desired properties are at the forefront of quantum science and technology research. A major bottleneck in this field is the computational resources and time complexity related to finding new materials from ab initio calculations. In this work, an effective and robust deep learning-based model is proposed by incorporating persistent homology and graph neural network which offers an accuracy of 91.4% and an F1 score of 88.5% in classifying topological vs. non-topological materials, outperforming the other state-of-the-art classifier models. The incorporation of the graph neural network encodes the underlying relation between the atoms into the model based on their own crystalline structures and thus proved to be an effective method to represent and process non-euclidean data like molecules with a relatively shallow network. The persistent homology pipeline in the suggested neural network is capable of integrating the atom-specific topological information into the deep learning model, increasing robustness, and gain in performance. It is believed that the presented work will be an efficacious tool for predicting the topological class and therefore enable the high-throughput search for novel materials in this field.
We present P2PL, a practical multi-device peer-to-peer deep learning algorithm that, unlike the federated learning paradigm, does not require coordination from edge servers or the cloud. This makes P2PL well-suited for the sheer scale of beyond-5G computing environments like smart cities that otherwise create range, latency, bandwidth, and single point of failure issues for federated approaches. P2PL introduces max norm synchronization to catalyze training, retains on-device deep model training to preserve privacy, and leverages local inter-device communication to implement distributed consensus. Each device iteratively alternates between two phases: 1) on-device learning and 2) peer-to-peer cooperation where they combine model parameters with nearby devices. We empirically show that all participating devices achieve the same test performance attained by federated and centralized training -- even with 100 devices and relaxed singly stochastic consensus weights. We extend these experimental results to settings with diverse network topologies, sparse and intermittent communication, and non-IID data distributions.
This paper explores post-disaster analytics using multimodal deep learning models trained with curriculum learning method. Studying post-disaster analytics is important as it plays a crucial role in mitigating the impact of disasters by providing timely and accurate insights into the extent of damage and the allocation of resources. We propose a curriculum learning strategy to enhance the performance of multimodal deep learning models. Curriculum learning emulates the progressive learning sequence in human education by training deep learning models on increasingly complex data. Our primary objective is to develop a curriculum-trained multimodal deep learning model, with a particular focus on visual question answering (VQA) capable of jointly processing image and text data, in conjunction with semantic segmentation for disaster analytics using the FloodNet\footnote{https://github.com/BinaLab/FloodNet-Challenge-EARTHVISION2021} dataset. To achieve this, U-Net model is used for semantic segmentation and image encoding. A custom built text classifier is used for visual question answering. Existing curriculum learning methods rely on manually defined difficulty functions. We introduce a novel curriculum learning approach termed Dynamic Task and Weight Prioritization (DATWEP), which leverages a gradient-based method to automatically decide task difficulty during curriculum learning training, thereby eliminating the need for explicit difficulty computation. The integration of DATWEP into our multimodal model shows improvement on VQA performance. Source code is available at https://github.com/fualsan/DATWEP.
Electrical Impedance Tomography (EIT) is a powerful imaging technique with diverse applications, e.g., medical diagnosis, industrial monitoring, and environmental studies. The EIT inverse problem is about inferring the internal conductivity distribution of an object from measurements taken on its boundary. It is severely ill-posed, necessitating advanced computational methods for accurate image reconstructions. Recent years have witnessed significant progress, driven by innovations in analytic-based approaches and deep learning. This review explores techniques for solving the EIT inverse problem, focusing on the interplay between contemporary deep learning-based strategies and classical analytic-based methods. Four state-of-the-art deep learning algorithms are rigorously examined, harnessing the representational capabilities of deep neural networks to reconstruct intricate conductivity distributions. In parallel, two analytic-based methods, rooted in mathematical formulations and regularisation techniques, are dissected for their strengths and limitations. These methodologies are evaluated through various numerical experiments, encompassing diverse scenarios that reflect real-world complexities. A suite of performance metrics is employed to assess the efficacy of these methods. These metrics collectively provide a nuanced understanding of the methods' ability to capture essential features and delineate complex conductivity patterns. One novel feature of the study is the incorporation of variable conductivity scenarios, introducing a level of heterogeneity that mimics textured inclusions. This departure from uniform conductivity assumptions mimics realistic scenarios where tissues or materials exhibit spatially varying electrical properties. Exploring how each method responds to such variable conductivity scenarios opens avenues for understanding their robustness and adaptability.
The amount of news being consumed online has substantially expanded in recent years. Fake news has become increasingly common, especially in regional languages like Malayalam, due to the rapid publication and lack of editorial standards on some online sites. Fake news may have a terrible effect on society, causing people to make bad judgments, lose faith in authorities, and even engage in violent behavior. When we take into the context of India, there are many regional languages, and fake news is spreading in every language. Therefore, providing efficient techniques for identifying false information in regional tongues is crucial. Until now, little to no work has been done in Malayalam, extracting features from multiple modalities to classify fake news. Multimodal approaches are more accurate in detecting fake news, as features from multiple modalities are extracted to build the deep learning classification model. As far as we know, this is the first piece of work in Malayalam that uses multimodal deep learning to tackle false information. Models trained with more than one modality typically outperform models taught with only one modality. Our study in the Malayalam language utilizing multimodal deep learning is a significant step toward more effective misinformation detection and mitigation.
The value of neuromorphic computers depends crucially on our ability to program them for relevant tasks. Currently, neuromorphic computers are mostly limited to machine learning methods adapted from deep learning. However, neuromorphic computers have potential far beyond deep learning if we can only make use of their computational properties to harness their full power. Neuromorphic programming will necessarily be different from conventional programming, requiring a paradigm shift in how we think about programming in general. The contributions of this paper are 1) a conceptual analysis of what "programming" means in the context of neuromorphic computers and 2) an exploration of existing programming paradigms that are promising yet overlooked in neuromorphic computing. The goal is to expand the horizon of neuromorphic programming methods, thereby allowing researchers to move beyond the shackles of current methods and explore novel directions.
Inverse modelling with deep learning algorithms involves training deep architecture to predict device's parameters from its static behaviour. Inverse device modelling is suitable to reconstruct drifted physical parameters of devices temporally degraded or to retrieve physical configuration. There are many variables that can influence the performance of an inverse modelling method. In this work the authors propose a deep learning method trained for retrieving physical parameters of Level-3 model of Power Silicon-Carbide MOSFET (SiC Power MOS). The SiC devices are used in applications where classical silicon devices failed due to high-temperature or high switching capability. The key application of SiC power devices is in the automotive field (i.e. in the field of electrical vehicles). Due to physiological degradation or high-stressing environment, SiC Power MOS shows a significant drift of physical parameters which can be monitored by using inverse modelling. The aim of this work is to provide a possible deep learning-based solution for retrieving physical parameters of the SiC Power MOSFET. Preliminary results based on the retrieving of channel length of the device are reported. Channel length of power MOSFET is a key parameter involved in the static and dynamic behaviour of the device. The experimental results reported in this work confirmed the effectiveness of a multi-layer perceptron designed to retrieve this parameter.
It is important to quantify Damage Assessment (DA) for Human Assistance and Disaster Response (HADR) applications. In this paper, to achieve efficient and scalable DA in HADR, an image prior and posterior conditional probability (IP2CP) is developed as an effective computational imaging representation. Equipped with the IP2CP representation, the matching pre- and post-disaster images are effectively encoded into one image that is then processed using deep learning approaches to determine the damage levels. Two scenarios of crucial importance for the practical use of DA in HADR applications are examined: pixel-wise semantic segmentation and patch-based contrastive learning-based global damage classification. Results achieved by IP2CP in both scenarios demonstrate promising performances, showing that our IP2CP-based methods within the deep learning framework can effectively achieve data and computational efficiency, which is of utmost importance for the DA in HADR applications.