Marimuthu Kalimuthu, David Holzmüller, Mathias Niepert
Modeling high-frequency information is a critical challenge in scientific machine learning. For instance, fully turbulent flow simulations of the Navier-Stokes equations at Reynolds numbers 3500 and above can generate high-frequency signals due to swirling fluid motions caused by eddies and vortices. Faithfully modeling such signals using neural nets depends on the accurate reconstruction of moderate to high frequencies. However, it has been well known that neural nets exhibit spectral or frequency bias towards learning low-frequency components. Meanwhile, Fourier Neural Operators (FNOs) have emerged as a popular class of data-driven models for surrogate modeling and solving PDEs. Although impressive results were achieved on several PDE benchmark problems, FNOs perform poorly in learning non-dominant frequencies characterized by local features. This limitation stems from spectral bias inherent in neural nets and the explicit exclusion of high-frequency modes in FNOs and their variants. Therefore, to mitigate these issues and improve FNO's spectral learning capabilities to represent a broad range of frequency components, we propose two key architectural enhancements: (i) a parallel branch performing local spectral convolution (ii) a high-frequency propagation module. Moreover, we propose a novel frequency-sensitive loss based on radially binned spectral errors. This introduction of a parallel branch for local convolution reduces the trainable parameters by up to 50% while achieving the accuracy of FNO that relies solely on global convolution. Moreover, our findings demonstrate that the proposed model improves stability over longer rollouts. Experiments on six challenging PDEs in fluid mechanics, wave propagation, and biological pattern formation, and the qualitative and spectral analysis of predictions, show the effectiveness of our method over SOTA neural operator families of baselines.
Minghui Sun, Matthew M. Engelhard, Benjamin A. Goldstein
Risk assessments for a pediatric population are often conducted across multiple stages. For example, clinicians may evaluate risks prenatally, at birth, and during Well-Child visits. Although predictions made at later stages typically achieve higher precision, it is clinically desirable to make reliable risk assessments as early as possible. Therefore, this study focuses on improving prediction performance in early-stage risk assessments. Our solution, \textbf{Borrowing From the Future (BFF)}, is a contrastive multi-modal framework that treats each time window as a distinct modality. In BFF, a model is trained on all available data throughout the time while performing a risk assessment using up-to-date information. This contrastive framework allows the model to ``borrow'' informative signals from later stages (e.g., Well-Child visits) to implicitly supervise the learning at earlier stages (e.g., prenatal/birth stages). We validate BFF on two real-world pediatric outcome prediction tasks, demonstrating consistent improvements in early risk assessments. The code is available at https://github.com/scotsun/bff.
In the evolving field of machine learning, ensuring group fairness has become a critical concern, prompting the development of algorithms designed to mitigate bias in decision-making processes. Group fairness refers to the principle that a model's decisions should be equitable across different groups defined by sensitive attributes such as gender or race, ensuring that individuals from privileged groups and unprivileged groups are treated fairly and receive similar outcomes. However, achieving fairness in the presence of group-specific concept drift remains an unexplored frontier, and our research represents pioneering efforts in this regard. Group-specific concept drift refers to situations where one group experiences concept drift over time while another does not, leading to a decrease in fairness even if accuracy remains fairly stable. Within the framework of Federated Learning, where clients collaboratively train models, its distributed nature further amplifies these challenges since each client can experience group-specific concept drift independently while still sharing the same underlying concept, creating a complex and dynamic environment for maintaining fairness. The most significant contribution of our research is the formalization and introduction of the problem of group-specific concept drift and its distributed counterpart, shedding light on its critical importance in the field of fairness. Additionally, leveraging insights from prior research, we adapt an existing distributed concept drift adaptation algorithm to tackle group-specific distributed concept drift which uses a multi-model approach, a local group-specific drift detection mechanism, and continuous clustering of models over time. The findings from our experiments highlight the importance of addressing group-specific concept drift and its distributed counterpart to advance fairness in machine learning.
Machine learning (ML) and deep learning models are extensively used for parameter optimization and regression problems. However, not all inverse problems in ML are ``identifiable,'' indicating that model parameters may not be uniquely determined from the available data and the data model's input-output relationship. In this study, we investigate the notion of model parameter identifiability through a case study focused on parameter estimation from motion sensor data. Utilizing a bipedal-spring mass human walk dynamics model, we generate synthetic data representing diverse gait patterns and conditions. Employing a deep neural network, we attempt to estimate subject-wise parameters, including mass, stiffness, and equilibrium leg length. The results show that while certain parameters can be identified from the observation data, others remain unidentifiable, highlighting that unidentifiability is an intrinsic limitation of the experimental setup, necessitating a change in data collection and experimental scenarios. Beyond this specific case study, the concept of identifiability has broader implications in ML and deep learning. Addressing unidentifiability requires proven identifiable models (with theoretical support), multimodal data fusion techniques, and advancements in model-based machine learning. Understanding and resolving unidentifiability challenges will lead to more reliable and accurate applications across diverse domains, transcending mere model convergence and enhancing the reliability of machine learning models.
Machine learning has been successfully used to study phase transitions. One of the most popular approaches to identifying critical points from data without prior knowledge of the underlying phases is the learning-by-confusion scheme. As input, it requires system samples drawn from a grid of the parameter whose change is associated with potential phase transitions. Up to now, the scheme required training a distinct binary classifier for each possible splitting of the grid into two sides, resulting in a computational cost that scales linearly with the number of grid points. In this work, we propose and showcase an alternative implementation that only requires the training of a single multi-class classifier. Ideally, such multi-task learning eliminates the scaling with respect to the number of grid points. In applications to the Ising model and an image dataset generated with Stable Diffusion, we find significant speedups that closely correspond to the ideal case, with only minor deviations.
Machine learning algorithms are routinely used for business decisions that may directly affect individuals, for example, because a credit scoring algorithm refuses them a loan. It is then relevant from an ethical (and legal) point of view to ensure that these algorithms do not discriminate based on sensitive attributes (like sex or race), which may occur unwittingly and unknowingly by the operator and the management. Statistical tools and methods are then required to detect and eliminate such potential biases.
Catherine Wong, Kevin Ellis, Joshua B. Tenenbaum
et al.
Inductive program synthesis, or inferring programs from examples of desired behavior, offers a general paradigm for building interpretable, robust, and generalizable machine learning systems. Effective program synthesis depends on two key ingredients: a strong library of functions from which to build programs, and an efficient search strategy for finding programs that solve a given task. We introduce LAPS (Language for Abstraction and Program Search), a technique for using natural language annotations to guide joint learning of libraries and neurally-guided search models for synthesis. When integrated into a state-of-the-art library learning system (DreamCoder), LAPS produces higher-quality libraries and improves search efficiency and generalization on three domains -- string editing, image composition, and abstract reasoning about scenes -- even when no natural language hints are available at test time.
Yasushi Esaki, Yuta Nakahara, Toshiyasu Matsushima
We propose two new criteria to understand the advantage of deepening neural networks. It is important to know the expressivity of functions computable by deep neural networks in order to understand the advantage of deepening neural networks. Unless deep neural networks have enough expressivity, they cannot have good performance even though learning is successful. In this situation, the proposed criteria contribute to understanding the advantage of deepening neural networks since they can evaluate the expressivity independently from the efficiency of learning. The first criterion shows the approximation accuracy of deep neural networks to the target function. This criterion has the background that the goal of deep learning is approximating the target function by deep neural networks. The second criterion shows the property of linear regions of functions computable by deep neural networks. This criterion has the background that deep neural networks whose activation functions are piecewise linear are also piecewise linear. Furthermore, by the two criteria, we show that to increase layers is more effective than to increase units at each layer on improving the expressivity of deep neural networks.
Statistical machine learning theory often tries to give generalization guarantees of machine learning models. Those models naturally underlie some fluctuation, as they are based on a data sample. If we were unlucky, and gathered a sample that is not representative of the underlying distribution, one cannot expect to construct a reliable machine learning model. Following that, statements made about the performance of machine learning models have to take the sampling process into account. The two common approaches for that are to generate statements that hold either in high-probability, or in-expectation, over the random sampling process. In this short note we show how one may transform one statement to another. As a technical novelty we address the case of unbounded loss function, where we use a fairly new assumption, called the witness condition.
Deep neural networks (DNNs) have become a proven and indispensable machine learning tool. As a black-box model, it remains difficult to diagnose what aspects of the model's input drive the decisions of a DNN. In countless real-world domains, from legislation and law enforcement to healthcare, such diagnosis is essential to ensure that DNN decisions are driven by aspects appropriate in the context of its use. The development of methods and studies enabling the explanation of a DNN's decisions has thus blossomed into an active, broad area of research. A practitioner wanting to study explainable deep learning may be intimidated by the plethora of orthogonal directions the field has taken. This complexity is further exacerbated by competing definitions of what it means ``to explain'' the actions of a DNN and to evaluate an approach's ``ability to explain''. This article offers a field guide to explore the space of explainable deep learning aimed at those uninitiated in the field. The field guide: i) Introduces three simple dimensions defining the space of foundational methods that contribute to explainable deep learning, ii) discusses the evaluations for model explanations, iii) places explainability in the context of other related deep learning research areas, and iv) finally elaborates on user-oriented explanation designing and potential future directions on explainable deep learning. We hope the guide is used as an easy-to-digest starting point for those just embarking on research in this field.
We present a proof of a combinatorial conjecture from the second author's Ph.D. thesis. The proof relies on binomial and multinomial sums identities. We also discuss the relevance of the conjecture in the context of PAC-Bayesian machine learning.
Machine learning has evolved into an enabling technology for a wide range of highly successful applications. The potential for this success to continue and accelerate has placed machine learning (ML) at the top of research, economic and political agendas. Such unprecedented interest is fuelled by a vision of ML applicability extending to healthcare, transportation, defence and other domains of great societal importance. Achieving this vision requires the use of ML in safety-critical applications that demand levels of assurance beyond those needed for current ML applications. Our paper provides a comprehensive survey of the state-of-the-art in the assurance of ML, i.e. in the generation of evidence that ML is sufficiently safe for its intended use. The survey covers the methods capable of providing such evidence at different stages of the machine learning lifecycle, i.e. of the complex, iterative process that starts with the collection of the data used to train an ML component for a system, and ends with the deployment of that component within the system. The paper begins with a systematic presentation of the ML lifecycle and its stages. We then define assurance desiderata for each stage, review existing methods that contribute to achieving these desiderata, and identify open challenges that require further research.
Hari Prasanna Das, Ioannis C. Konstantakopoulos, Aummul Baneen Manasawala
et al.
Energy game-theoretic frameworks have emerged to be a successful strategy to encourage energy efficient behavior in large scale by leveraging human-in-the-loop strategy. A number of such frameworks have been introduced over the years which formulate the energy saving process as a competitive game with appropriate incentives for energy efficient players. However, prior works involve an incentive design mechanism which is dependent on knowledge of utility functions for all the players in the game, which is hard to compute especially when the number of players is high, common in energy game-theoretic frameworks. Our research proposes that the utilities of players in such a framework can be grouped together to a relatively small number of clusters, and the clusters can then be targeted with tailored incentives. The key to above segmentation analysis is to learn the features leading to human decision making towards energy usage in competitive environments. We propose a novel graphical lasso based approach to perform such segmentation, by studying the feature correlations in a real-world energy social game dataset. To further improve the explainability of the model, we perform causality study using grangers causality. Proposed segmentation analysis results in characteristic clusters demonstrating different energy usage behaviors. We also present avenues to implement intelligent incentive design using proposed segmentation method.
George Papamakarios, Eric Nalisnick, Danilo Jimenez Rezende
et al.
Normalizing flows provide a general mechanism for defining expressive probability distributions, only requiring the specification of a (usually simple) base distribution and a series of bijective transformations. There has been much recent work on normalizing flows, ranging from improving their expressive power to expanding their application. We believe the field has now matured and is in need of a unified perspective. In this review, we attempt to provide such a perspective by describing flows through the lens of probabilistic modeling and inference. We place special emphasis on the fundamental principles of flow design, and discuss foundational topics such as expressive power and computational trade-offs. We also broaden the conceptual framing of flows by relating them to more general probability transformations. Lastly, we summarize the use of flows for tasks such as generative modeling, approximate inference, and supervised learning.
Ibtissam El Hassani, Choumicha El Mazgualdi, Tawfik Masrour
The overall equipment effectiveness (OEE) is a performance measurement metric widely used. Its calculation provides to the managers the possibility to identify the main losses that reduce the machine effectiveness and then take the necessary decisions in order to improve the situation. However, this calculation is done a-posterior which is often too late. In the present research, we implemented different Machine Learning algorithms namely; Support vector machine, Optimized Support vector Machine (using Genetic Algorithm), Random Forest, XGBoost and Deep Learning to predict the estimate OEE value. The data used to train our models was provided by an automotive cable production industry. The results show that the Deep Learning and Random Forest are more accurate and present better performance for the prediction of the overall equipment effectiveness in our case study.