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Medical imaging diagnosis increasingly relies on Machine Learning (ML) models. This is a task that is often hampered by severely imbalanced datasets, where positive cases can be quite rare. Their use is further compromised by their limited interpretability, which is becoming increasingly important. While post-hoc interpretability techniques such as SHAP and LIME have been used with some success on so-called black box models, the use of inherently understandable models makes such endeavors more fruitful. This paper addresses these issues by demonstrating how a relatively new synthetic data generation technique, STEM, can be used to produce data to train models produced by Grammatical Evolution (GE) that are inherently understandable. STEM is a recently introduced combination of the Synthetic Minority Oversampling Technique (SMOTE), Edited Nearest Neighbour (ENN), and Mixup; it has previously been successfully used to tackle both between class and within class imbalance issues. We test our technique on the Digital Database for Screening Mammography (DDSM) and the Wisconsin Breast Cancer (WBC) datasets and compare Area Under the Curve (AUC) results with an ensemble of the top three performing classifiers from a set of eight standard ML classifiers with varying degrees of interpretability. We demonstrate that the GE-derived models present the best AUC while still maintaining interpretable solutions.

Recently, optimization on the Riemannian manifold has provided new insights to the optimization community. In this regard, the manifold taken as the probability measure metric space equipped with the second-order Wasserstein distance is of particular interest, since optimization on it can be linked to practical sampling processes. In general, the oracle (continuous) optimization method on Wasserstein space is Riemannian gradient flow (i.e., Langevin dynamics when minimizing KL divergence). In this paper, we aim to enrich the continuous optimization methods in the Wasserstein space by extending the gradient flow into the stochastic gradient descent (SGD) flow and stochastic variance reduction gradient (SVRG) flow. The two flows on Euclidean space are standard stochastic optimization methods, while their Riemannian counterparts are not explored yet. By leveraging the structures in Wasserstein space, we construct a stochastic differential equation (SDE) to approximate the discrete dynamics of desired stochastic methods in the corresponded random vector space. Then, the flows of probability measures are naturally obtained by applying Fokker-Planck equation to such SDE. Furthermore, the convergence rates of the proposed Riemannian stochastic flows are proven, and they match the results in Euclidean space.

Neural networks have been successfully used for non-intrusive speech intelligibility prediction. Recently, the use of feature representations sourced from intermediate layers of pre-trained self-supervised and weakly-supervised models has been found to be particularly useful for this task. This work combines the use of Whisper ASR decoder layer representations as neural network input features with an exemplar-based, psychologically motivated model of human memory to predict human intelligibility ratings for hearing-aid users. Substantial performance improvement over an established intrusive HASPI baseline system is found, including on enhancement systems and listeners unseen in the training data, with a root mean squared error of 25.3 compared with the baseline of 28.7.

Recently, optimization on the Riemannian manifold has provided new insights to the optimization community. In this regard, the manifold taken as the probability measure metric space equipped with the second-order Wasserstein distance is of particular interest, since optimization on it can be linked to practical sampling processes. In general, the oracle (continuous) optimization method on Wasserstein space is Riemannian gradient flow (i.e., Langevin dynamics when minimizing KL divergence). In this paper, we aim to enrich the continuous optimization methods in the Wasserstein space by extending the gradient flow into the stochastic gradient descent (SGD) flow and stochastic variance reduction gradient (SVRG) flow. The two flows on Euclidean space are standard stochastic optimization methods, while their Riemannian counterparts are not explored yet. By leveraging the structures in Wasserstein space, we construct a stochastic differential equation (SDE) to approximate the discrete dynamics of desired stochastic methods in the corresponded random vector space. Then, the flows of probability measures are naturally obtained by applying Fokker-Planck equation to such SDE. Furthermore, the convergence rates of the proposed Riemannian stochastic flows are proven, and they match the results in Euclidean space.

Nowadays, the need for causal discovery is ubiquitous. A better understanding of not just the stochastic dependencies between parts of a system, but also the actual cause-effect relations, is essential for all parts of science. Thus, the need for reliable methods to detect causal directions is growing constantly. In the last 50 years, many causal discovery algorithms have emerged, but most of them are applicable only under the assumption that the systems have no feedback loops and that they are causally sufficient, i.e. that there are no unmeasured subsystems that can affect multiple measured variables. This is unfortunate since those restrictions can often not be presumed in practice. Feedback is an integral feature of many processes, and real-world systems are rarely completely isolated and fully measured. Fortunately, in recent years, several techniques, that can cope with cyclic, causally insufficient systems, have been developed. And with multiple methods available, a practical application of those algorithms now requires knowledge of the respective strengths and weaknesses. Here, we focus on the problem of causal discovery for sparse linear models which are allowed to have cycles and hidden confounders. We have prepared a comprehensive and thorough comparative study of four causal discovery techniques: two versions of the LLC method [10] and two variants of the ASP-based algorithm [11]. The evaluation investigates the performance of those techniques for various experiments with multiple interventional setups and different dataset sizes.

Advances in artificial intelligence (AI) are fueling a new paradigm of discoveries in natural sciences. Today, AI has started to advance natural sciences by improving, accelerating, and enabling our understanding of natural phenomena at a wide range of spatial and temporal scales, giving rise to a new area of research known as AI for science (AI4Science). Being an emerging research paradigm, AI4Science is unique in that it is an enormous and highly interdisciplinary area. Thus, a unified and technical treatment of this field is needed yet challenging. This work aims to provide a technically thorough account of a subarea of AI4Science; namely, AI for quantum, atomistic, and continuum systems. These areas aim at understanding the physical world from the subatomic (wavefunctions and electron density), atomic (molecules, proteins, materials, and interactions), to macro (fluids, climate, and subsurface) scales and form an important subarea of AI4Science. A unique advantage of focusing on these areas is that they largely share a common set of challenges, thereby allowing a unified and foundational treatment. A key common challenge is how to capture physics first principles, especially symmetries, in natural systems by deep learning methods. We provide an in-depth yet intuitive account of techniques to achieve equivariance to symmetry transformations. We also discuss other common technical challenges, including explainability, out-of-distribution generalization, knowledge transfer with foundation and large language models, and uncertainty quantification. To facilitate learning and education, we provide categorized lists of resources that we found to be useful. We strive to be thorough and unified and hope this initial effort may trigger more community interests and efforts to further advance AI4Science.

In pace with developments in the research field of artificial intelligence, knowledge graphs (KGs) have attracted a surge of interest from both academia and industry. As a representation of semantic relations between entities, KGs have proven to be particularly relevant for natural language processing (NLP), experiencing a rapid spread and wide adoption within recent years. Given the increasing amount of research work in this area, several KG-related approaches have been surveyed in the NLP research community. However, a comprehensive study that categorizes established topics and reviews the maturity of individual research streams remains absent to this day. Contributing to closing this gap, we systematically analyzed 507 papers from the literature on KGs in NLP. Our survey encompasses a multifaceted review of tasks, research types, and contributions. As a result, we present a structured overview of the research landscape, provide a taxonomy of tasks, summarize our findings, and highlight directions for future work.

Recommender systems have been widely applied in different real-life scenarios to help us find useful information. Recently, Reinforcement Learning (RL) based recommender systems have become an emerging research topic. It often surpasses traditional recommendation models even most deep learning-based methods, owing to its interactive nature and autonomous learning ability. Nevertheless, there are various challenges of RL when applying in recommender systems. Toward this end, we firstly provide a thorough overview, comparisons, and summarization of RL approaches for five typical recommendation scenarios, following three main categories of RL: value-function, policy search, and Actor-Critic. Then, we systematically analyze the challenges and relevant solutions on the basis of existing literature. Finally, under discussion for open issues of RL and its limitations of recommendation, we highlight some potential research directions in this field.

Many tasks in natural language processing can be viewed as multi-label classification problems. However, most of the existing models are trained with the standard cross-entropy loss function and use a fixed prediction policy (e.g., a threshold of 0.5) for all the labels, which completely ignores the complexity and dependencies among different labels. In this paper, we propose a meta-learning method to capture these complex label dependencies. More specifically, our method utilizes a meta-learner to jointly learn the training policies and prediction policies for different labels. The training policies are then used to train the classifier with the cross-entropy loss function, and the prediction policies are further implemented for prediction. Experimental results on fine-grained entity typing and text classification demonstrate that our proposed method can obtain more accurate multi-label classification results.

Image segmentation is considered to be one of the critical tasks in hyperspectral remote sensing image processing. Recently, convolutional neural network (CNN) has established itself as a powerful model in segmentation and classification by demonstrating excellent performances. The use of a graphical model such as a conditional random field (CRF) contributes further in capturing contextual information and thus improving the segmentation performance. In this paper, we propose a method to segment hyperspectral images by considering both spectral and spatial information via a combined framework consisting of CNN and CRF. We use multiple spectral cubes to learn deep features using CNN, and then formulate deep CRF with CNN-based unary and pairwise potential functions to effectively extract the semantic correlations between patches consisting of three-dimensional data cubes. Effective piecewise training is applied in order to avoid the computationally expensive iterative CRF inference. Furthermore, we introduce a deep deconvolution network that improves the segmentation masks. We also introduce a new dataset and experimented our proposed method on it along with several widely adopted benchmark datasets to evaluate the effectiveness of our method. By comparing our results with those from several state-of-the-art models, we show the promising potential of our method.