Everyday life is increasingly influenced by artificial intelligence, and there is no question that machine learning algorithms must be designed to be reliable and trustworthy for everyone. Specifically, computer scientists consider an artificial intelligence system safe and trustworthy if it fulfills five pillars: explainability, robustness, transparency, fairness, and privacy. In addition to these five, we propose a sixth fundamental aspect: conformity, that is, the probabilistic assurance that the system will behave as the machine learner expects. In this paper, we propose a methodology to link conformal prediction with explainable machine learning by defining CONFIDERAI, a new score function for rule-based models that leverages both rules predictive ability and points geometrical position within rules boundaries. We also address the problem of defining regions in the feature space where conformal guarantees are satisfied by exploiting techniques to control the number of non-conformal samples in conformal regions based on support vector data description (SVDD). The overall methodology is tested with promising results on benchmark and real datasets, such as DNS tunneling detection or cardiovascular disease prediction.
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We propose a neural network-based meta-learning method to efficiently solve partial differential equation (PDE) problems. The proposed method is designed to meta-learn how to solve a wide variety of PDE problems, and uses the knowledge for solving newly given PDE problems. We encode a PDE problem into a problem representation using neural networks, where governing equations are represented by coefficients of a polynomial function of partial derivatives, and boundary conditions are represented by a set of point-condition pairs. We use the problem representation as an input of a neural network for predicting solutions, which enables us to efficiently predict problem-specific solutions by the forwarding process of the neural network without updating model parameters. To train our model, we minimize the expected error when adapted to a PDE problem based on the physics-informed neural network framework, by which we can evaluate the error even when solutions are unknown. We demonstrate that our proposed method outperforms existing methods in predicting solutions of PDE problems.
As is well known, differential algebraic equations (DAEs), which are able to describe dynamic changes and underlying constraints, have been widely applied in engineering fields such as fluid dynamics, multi-body dynamics, mechanical systems and control theory. In practical physical modeling within these domains, the systems often generate high-index DAEs. Classical implicit numerical methods typically result in varying order reduction of numerical accuracy when solving high-index systems.~Recently, the physics-informed neural network (PINN) has gained attention for solving DAE systems. However, it faces challenges like the inability to directly solve high-index systems, lower predictive accuracy, and weaker generalization capabilities. In this paper, we propose a PINN computational framework, combined Radau IIA numerical method with a neural network structure via the attention mechanisms, to directly solve high-index DAEs. Furthermore, we employ a domain decomposition strategy to enhance solution accuracy. We conduct numerical experiments with two classical high-index systems as illustrative examples, investigating how different orders of the Radau IIA method affect the accuracy of neural network solutions. The experimental results demonstrate that the PINN based on a 5th-order Radau IIA method achieves the highest level of system accuracy. Specifically, the absolute errors for all differential variables remains as low as $10^{-6}$, and the absolute errors for algebraic variables is maintained at $10^{-5}$, surpassing the results found in existing literature. Therefore, our method exhibits excellent computational accuracy and strong generalization capabilities, providing a feasible approach for the high-precision solution of larger-scale DAEs with higher indices or challenging high-dimensional partial differential algebraic equation systems.
Despite their better convergence properties compared to first-order optimizers, second-order optimizers for deep learning have been less popular due to their significant computational costs. The primary efficiency bottleneck in such optimizers is matrix inverse calculations in the preconditioning step, which are expensive to compute on GPUs. In this paper, we introduce Jorge, a second-order optimizer that promises the best of both worlds -- rapid convergence benefits of second-order methods, and high computational efficiency typical of first-order methods. We address the primary computational bottleneck of computing matrix inverses by completely eliminating them using an approximation of the preconditioner computation. This makes Jorge extremely efficient on GPUs in terms of wall-clock time. Further, we describe an approach to determine Jorge's hyperparameters directly from a well-tuned SGD baseline, thereby significantly minimizing tuning efforts. Our empirical evaluations demonstrate the distinct advantages of using Jorge, outperforming state-of-the-art optimizers such as SGD, AdamW, and Shampoo across multiple deep learning models, both in terms of sample efficiency and wall-clock time.
Multimodal machine learning is a vibrant multi-disciplinary research field that aims to design computer agents with intelligent capabilities such as understanding, reasoning, and learning through integrating multiple communicative modalities, including linguistic, acoustic, visual, tactile, and physiological messages. With the recent interest in video understanding, embodied autonomous agents, text-to-image generation, and multisensor fusion in application domains such as healthcare and robotics, multimodal machine learning has brought unique computational and theoretical challenges to the machine learning community given the heterogeneity of data sources and the interconnections often found between modalities. However, the breadth of progress in multimodal research has made it difficult to identify the common themes and open questions in the field. By synthesizing a broad range of application domains and theoretical frameworks from both historical and recent perspectives, this paper is designed to provide an overview of the computational and theoretical foundations of multimodal machine learning. We start by defining two key principles of modality heterogeneity and interconnections that have driven subsequent innovations, and propose a taxonomy of 6 core technical challenges: representation, alignment, reasoning, generation, transference, and quantification covering historical and recent trends. Recent technical achievements will be presented through the lens of this taxonomy, allowing researchers to understand the similarities and differences across new approaches. We end by motivating several open problems for future research as identified by our taxonomy.
The incredible development of federated learning (FL) has benefited various tasks in the domains of computer vision and natural language processing, and the existing frameworks such as TFF and FATE has made the deployment easy in real-world applications. However, federated graph learning (FGL), even though graph data are prevalent, has not been well supported due to its unique characteristics and requirements. The lack of FGL-related framework increases the efforts for accomplishing reproducible research and deploying in real-world applications. Motivated by such strong demand, in this paper, we first discuss the challenges in creating an easy-to-use FGL package and accordingly present our implemented package FederatedScope-GNN (FS-G), which provides (1) a unified view for modularizing and expressing FGL algorithms; (2) comprehensive DataZoo and ModelZoo for out-of-the-box FGL capability; (3) an efficient model auto-tuning component; and (4) off-the-shelf privacy attack and defense abilities. We validate the effectiveness of FS-G by conducting extensive experiments, which simultaneously gains many valuable insights about FGL for the community. Moreover, we employ FS-G to serve the FGL application in real-world E-commerce scenarios, where the attained improvements indicate great potential business benefits. We publicly release FS-G, as submodules of FederatedScope, at //github.com/alibaba/FederatedScope to promote FGL's research and enable broad applications that would otherwise be infeasible due to the lack of a dedicated package.
There recently has been a surge of interest in developing a new class of deep learning (DL) architectures that integrate an explicit time dimension as a fundamental building block of learning and representation mechanisms. In turn, many recent results show that topological descriptors of the observed data, encoding information on the shape of the dataset in a topological space at different scales, that is, persistent homology of the data, may contain important complementary information, improving both performance and robustness of DL. As convergence of these two emerging ideas, we propose to enhance DL architectures with the most salient time-conditioned topological information of the data and introduce the concept of zigzag persistence into time-aware graph convolutional networks (GCNs). Zigzag persistence provides a systematic and mathematically rigorous framework to track the most important topological features of the observed data that tend to manifest themselves over time. To integrate the extracted time-conditioned topological descriptors into DL, we develop a new topological summary, zigzag persistence image, and derive its theoretical stability guarantees. We validate the new GCNs with a time-aware zigzag topological layer (Z-GCNETs), in application to traffic forecasting and Ethereum blockchain price prediction. Our results indicate that Z-GCNET outperforms 13 state-of-the-art methods on 4 time series datasets.
The notion of uncertainty is of major importance in machine learning and constitutes a key element of machine learning methodology. In line with the statistical tradition, uncertainty has long been perceived as almost synonymous with standard probability and probabilistic predictions. Yet, due to the steadily increasing relevance of machine learning for practical applications and related issues such as safety requirements, new problems and challenges have recently been identified by machine learning scholars, and these problems may call for new methodological developments. In particular, this includes the importance of distinguishing between (at least) two different types of uncertainty, often refereed to as aleatoric and epistemic. In this paper, we provide an introduction to the topic of uncertainty in machine learning as well as an overview of hitherto attempts at handling uncertainty in general and formalizing this distinction in particular.
Meta-reinforcement learning algorithms can enable robots to acquire new skills much more quickly, by leveraging prior experience to learn how to learn. However, much of the current research on meta-reinforcement learning focuses on task distributions that are very narrow. For example, a commonly used meta-reinforcement learning benchmark uses different running velocities for a simulated robot as different tasks. When policies are meta-trained on such narrow task distributions, they cannot possibly generalize to more quickly acquire entirely new tasks. Therefore, if the aim of these methods is to enable faster acquisition of entirely new behaviors, we must evaluate them on task distributions that are sufficiently broad to enable generalization to new behaviors. In this paper, we propose an open-source simulated benchmark for meta-reinforcement learning and multi-task learning consisting of 50 distinct robotic manipulation tasks. Our aim is to make it possible to develop algorithms that generalize to accelerate the acquisition of entirely new, held-out tasks. We evaluate 6 state-of-the-art meta-reinforcement learning and multi-task learning algorithms on these tasks. Surprisingly, while each task and its variations (e.g., with different object positions) can be learned with reasonable success, these algorithms struggle to learn with multiple tasks at the same time, even with as few as ten distinct training tasks. Our analysis and open-source environments pave the way for future research in multi-task learning and meta-learning that can enable meaningful generalization, thereby unlocking the full potential of these methods.
Most existing works in visual question answering (VQA) are dedicated to improving the accuracy of predicted answers, while disregarding the explanations. We argue that the explanation for an answer is of the same or even more importance compared with the answer itself, since it makes the question and answering process more understandable and traceable. To this end, we propose a new task of VQA-E (VQA with Explanation), where the computational models are required to generate an explanation with the predicted answer. We first construct a new dataset, and then frame the VQA-E problem in a multi-task learning architecture. Our VQA-E dataset is automatically derived from the VQA v2 dataset by intelligently exploiting the available captions. We have conducted a user study to validate the quality of explanations synthesized by our method. We quantitatively show that the additional supervision from explanations can not only produce insightful textual sentences to justify the answers, but also improve the performance of answer prediction. Our model outperforms the state-of-the-art methods by a clear margin on the VQA v2 dataset.
Machine Learning has been the quintessential solution for many AI problems, but learning is still heavily dependent on the specific training data. Some learning models can be incorporated with a prior knowledge in the Bayesian set up, but these learning models do not have the ability to access any organised world knowledge on demand. In this work, we propose to enhance learning models with world knowledge in the form of Knowledge Graph (KG) fact triples for Natural Language Processing (NLP) tasks. Our aim is to develop a deep learning model that can extract relevant prior support facts from knowledge graphs depending on the task using attention mechanism. We introduce a convolution-based model for learning representations of knowledge graph entity and relation clusters in order to reduce the attention space. We show that the proposed method is highly scalable to the amount of prior information that has to be processed and can be applied to any generic NLP task. Using this method we show significant improvement in performance for text classification with News20, DBPedia datasets and natural language inference with Stanford Natural Language Inference (SNLI) dataset. We also demonstrate that a deep learning model can be trained well with substantially less amount of labeled training data, when it has access to organised world knowledge in the form of knowledge graph.
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