Designing sample-efficient and computationally feasible reinforcement learning (RL) algorithms is particularly challenging in environments with large or infinite state and action spaces. In this paper, we advance this effort by presenting an efficient algorithm for Markov Decision Processes (MDPs) where the state-action value function of any policy is linear in a given feature map. This challenging setting can model environments with infinite states and actions, strictly generalizes classic linear MDPs, and currently lacks a computationally efficient algorithm under online access to the MDP. Specifically, we introduce a new RL algorithm that efficiently finds a near-optimal policy in this setting, using a number of episodes and calls to a cost-sensitive classification (CSC) oracle that are both polynomial in the problem parameters. Notably, our CSC oracle can be efficiently implemented when the feature dimension is constant, representing a clear improvement over state-of-the-art methods, which require solving non-convex problems with horizon-many variables and can incur computational costs that are exponential in the horizon.
In multi-modal learning, some modalities are more influential than others, and their absence can have a significant impact on classification/segmentation accuracy. Addressing this challenge, we propose a novel approach called Meta-learned Modality-weighted Knowledge Distillation (MetaKD), which enables multi-modal models to maintain high accuracy even when key modalities are missing. MetaKD adaptively estimates the importance weight of each modality through a meta-learning process. These learned importance weights guide a pairwise modality-weighted knowledge distillation process, allowing high-importance modalities to transfer knowledge to lower-importance ones, resulting in robust performance despite missing inputs. Unlike previous methods in the field, which are often task-specific and require significant modifications, our approach is designed to work in multiple tasks (e.g., segmentation and classification) with minimal adaptation. Experimental results on five prevalent datasets, including three Brain Tumor Segmentation datasets (BraTS2018, BraTS2019 and BraTS2020), the Alzheimer's Disease Neuroimaging Initiative (ADNI) classification dataset and the Audiovision-MNIST classification dataset, demonstrate the proposed model is able to outperform the compared models by a large margin.
Differentially-private (DP) mechanisms can be embedded into the design of a machine learning algorithm to protect the resulting model against privacy leakage. However, this often comes with a significant loss of accuracy due to the noise added to enforce DP. In this paper, we aim at improving this trade-off for a popular class of machine learning algorithms leveraging the Gini impurity as an information gain criterion to greedily build interpretable models such as decision trees or rule lists. To this end, we establish the smooth sensitivity of the Gini impurity, which can be used to obtain thorough DP guarantees while adding noise scaled with tighter magnitude. We illustrate the applicability of this mechanism by integrating it within a greedy algorithm producing rule list models, motivated by the fact that such models remain understudied in the DP literature. Our theoretical analysis and experimental results confirm that the DP rule lists models integrating smooth sensitivity have higher accuracy that those using other DP frameworks based on global sensitivity, for identical privacy budgets.
Relation extraction as an important natural Language processing (NLP) task is to identify relations between named entities in text. Recently, graph convolutional networks over dependency trees have been widely used to capture syntactic features and achieved attractive performance. However, most existing dependency-based approaches ignore the positive influence of the words outside the dependency trees, sometimes conveying rich and useful information on relation extraction. In this paper, we propose a novel model, Entity-aware Self-attention Contextualized GCN (ESC-GCN), which efficiently incorporates syntactic structure of input sentences and semantic context of sequences. To be specific, relative position self-attention obtains the overall semantic pairwise correlation related to word position, and contextualized graph convolutional networks capture rich intra-sentence dependencies between words by adequately pruning operations. Furthermore, entity-aware attention layer dynamically selects which token is more decisive to make final relation prediction. In this way, our proposed model not only reduces the noisy impact from dependency trees, but also obtains easily-ignored entity-related semantic representation. Extensive experiments on various tasks demonstrate that our model achieves encouraging performance as compared to existing dependency-based and sequence-based models. Specially, our model excels in extracting relations between entities of long sentences.
Kernel ridge regression, KRR, is a generalization of linear ridge regression that is non-linear in the data, but linear in the parameters. The solution can be obtained either as a closed-form solution, which includes solving a system of linear equations, or iteratively through gradient descent. Using the iterative approach opens up for changing the kernel during training, something that is investigated in this paper. We theoretically address the effects this has on model complexity and generalization. Based on our findings, we propose an update scheme for the bandwidth of translational-invariant kernels, where we let the bandwidth decrease to zero during training, thus circumventing the need for hyper-parameter selection. We demonstrate on real and synthetic data how decreasing the bandwidth during training outperforms using a constant bandwidth, selected by cross-validation and marginal likelihood maximization. We also show theoretically and empirically that using a decreasing bandwidth, we are able to achieve both zero training error in combination with good generalization, and a double descent behavior, phenomena that do not occur for KRR with constant bandwidth but are known to appear for neural networks.
The rapid advancement of machine learning has unlocked numerous opportunities for materials science, particularly in accelerating the design and analysis of materials. However, a significant challenge lies in the scarcity and high cost of obtaining high-quality materials datasets. In other fields, such as natural language processing, foundation models pre-trained on large datasets have achieved exceptional success in transfer learning, effectively leveraging latent features to achieve high performance on tasks with limited data. Despite this progress, the concept of foundation models remains underexplored in materials science. Here, we present a foundation model specifically designed for composite materials. Our model is pre-trained on a dataset of short-fiber composites to learn robust latent features. During transfer learning, the MMAE accurately predicts homogenized stiffness, with an R2 score reaching as high as 0.959 and consistently exceeding 0.91, even when trained on limited data. These findings validate the feasibility and effectiveness of foundation models in composite materials. We anticipate extending this approach to more complex three-dimensional composite materials, polycrystalline materials, and beyond. Moreover, this framework enables high-accuracy predictions even when experimental data are scarce, paving the way for more efficient and cost-effective materials design and analysis.
Unlike traditional mesh-based approximations of differential operators, machine learning methods, which exploit the automatic differentiation of neural networks, have attracted increasing attention for their potential to mitigate stability issues encountered in the numerical simulation of hyperbolic conservation laws. However, solutions to hyperbolic problems are often piecewise smooth, rendering the differential form invalid along discontinuity interfaces and limiting the effectiveness of standard learning approaches. In this work, we propose lift-and-embed learning methods for solving scalar hyperbolic equations with discontinuous solutions, which consist of (i) embedding the Rankine-Hugoniot jump condition within a higher-dimensional space through the inclusion of an augmented variable in the solution ansatz; (ii) utilizing physics-informed neural networks to manage the increased dimensionality and to address both linear and quasi-linear problems within a unified learning framework; and (iii) projecting the trained network solution back onto the original lower-dimensional plane to obtain the approximate solution. Besides, the location of discontinuity can be parametrized as extra model parameters and inferred concurrently with the training of network solution. With collocation points sampled on piecewise surfaces rather than distributed over the entire lifted space, we conduct numerical experiments on various benchmark problems to demonstrate the capability of our methods in resolving discontinuous solutions without spurious numerical smearing and oscillations.
Opposition-based learning (OBL) is an effective approach to improve the performance of metaheuristic optimization algorithms, which are commonly used for solving complex engineering problems. This chapter provides a comprehensive review of the literature on the use of opposition strategies in metaheuristic optimization algorithms, discussing the benefits and limitations of this approach. An overview of the opposition strategy concept, its various implementations, and its impact on the performance of metaheuristic algorithms are presented. Furthermore, case studies on the application of opposition strategies in engineering problems are provided, including the optimum locating of control systems in tall building. A shear frame with Magnetorheological (MR) fluid damper is considered as a case study. The results demonstrate that the incorporation of opposition strategies in metaheuristic algorithms significantly enhances the quality and speed of the optimization process. This chapter aims to provide a clear understanding of the opposition strategy in metaheuristic optimization algorithms and its engineering applications, with the ultimate goal of facilitating its adoption in real-world engineering problems.
The existence of representative datasets is a prerequisite of many successful artificial intelligence and machine learning models. However, the subsequent application of these models often involves scenarios that are inadequately represented in the data used for training. The reasons for this are manifold and range from time and cost constraints to ethical considerations. As a consequence, the reliable use of these models, especially in safety-critical applications, is a huge challenge. Leveraging additional, already existing sources of knowledge is key to overcome the limitations of purely data-driven approaches, and eventually to increase the generalization capability of these models. Furthermore, predictions that conform with knowledge are crucial for making trustworthy and safe decisions even in underrepresented scenarios. This work provides an overview of existing techniques and methods in the literature that combine data-based models with existing knowledge. The identified approaches are structured according to the categories integration, extraction and conformity. Special attention is given to applications in the field of autonomous driving.
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.
Dynamic programming (DP) solves a variety of structured combinatorial problems by iteratively breaking them down into smaller subproblems. In spite of their versatility, DP algorithms are usually non-differentiable, which hampers their use as a layer in neural networks trained by backpropagation. To address this issue, we propose to smooth the max operator in the dynamic programming recursion, using a strongly convex regularizer. This allows to relax both the optimal value and solution of the original combinatorial problem, and turns a broad class of DP algorithms into differentiable operators. Theoretically, we provide a new probabilistic perspective on backpropagating through these DP operators, and relate them to inference in graphical models. We derive two particular instantiations of our framework, a smoothed Viterbi algorithm for sequence prediction and a smoothed DTW algorithm for time-series alignment. We showcase these instantiations on two structured prediction tasks and on structured and sparse attention for neural machine translation.