Reliable uncertainty quantification (UQ) in machine learning (ML) regression tasks is becoming the focus of many studies in materials and chemical science. It is now well understood that average calibration is insufficient, and most studies implement additional methods testing the conditional calibration with respect to uncertainty, i.e. consistency. Consistency is assessed mostly by so-called reliability diagrams. There exists however another way beyond average calibration, which is conditional calibration with respect to input features, i.e. adaptivity. In practice, adaptivity is the main concern of the final users of a ML-UQ method, seeking for the reliability of predictions and uncertainties for any point in features space. This article aims to show that consistency and adaptivity are complementary validation targets, and that a good consistency does not imply a good adaptivity. Adapted validation methods are proposed and illustrated on a representative example.
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機器學習（Machine Learning）是一個研究計算學習方法的國際論壇。該雜志發表文章，報告廣泛的學習方法應用于各種學習問題的實質性結果。該雜志的特色論文描述研究的問題和方法，應用研究和研究方法的問題。有關學習問題或方法的論文通過實證研究、理論分析或與心理現象的比較提供了堅實的支持。應用論文展示了如何應用學習方法來解決重要的應用問題。研究方法論文改進了機器學習的研究方法。所有的論文都以其他研究人員可以驗證或復制的方式描述了支持證據。論文還詳細說明了學習的組成部分，并討論了關于知識表示和性能任務的假設。
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Computational analysis with the finite element method requires geometrically accurate meshes. It is well known that high-order meshes can accurately capture curved surfaces with fewer degrees of freedom in comparison to low-order meshes. Existing techniques for high-order mesh generation typically output meshes with same polynomial order for all elements. However, high order elements away from curvilinear boundaries or interfaces increase the computational cost of the simulation without increasing geometric accuracy. In prior work, we have presented one such approach for generating body-fitted uniform-order meshes that takes a given mesh and morphs it to align with the surface of interest prescribed as the zero isocontour of a level-set function. We extend this method to generate mixed-order meshes such that curved surfaces of the domain are discretized with high-order elements, while low-order elements are used elsewhere. Numerical experiments demonstrate the robustness of the approach and show that it can be used to generate mixed-order meshes that are much more efficient than high uniform-order meshes. The proposed approach is purely algebraic, and extends to different types of elements (quadrilaterals/triangles/tetrahedron/hexahedra) in two- and three-dimensions.
Faithfully summarizing the knowledge encoded by a deep neural network (DNN) into a few symbolic primitive patterns without losing much information represents a core challenge in explainable AI. To this end, Ren et al. (2023c) have derived a series of theorems to prove that the inference score of a DNN can be explained as a small set of interactions between input variables. However, the lack of generalization power makes it still hard to consider such interactions as faithful primitive patterns encoded by the DNN. Therefore, given different DNNs trained for the same task, we develop a new method to extract interactions that are shared by these DNNs. Experiments show that the extracted interactions can better reflect common knowledge shared by different DNNs.
Many machine learning applications require operating on a spatially distributed dataset. Despite technological advances, privacy considerations and communication constraints may prevent gathering the entire dataset in a central unit. In this paper, we propose a distributed sampling scheme based on the alternating direction method of multipliers, which is commonly used in the optimization literature due to its fast convergence. In contrast to distributed optimization, distributed sampling allows for uncertainty quantification in Bayesian inference tasks. We provide both theoretical guarantees of our algorithm's convergence and experimental evidence of its superiority to the state-of-the-art. For our theoretical results, we use convex optimization tools to establish a fundamental inequality on the generated local sample iterates. This inequality enables us to show convergence of the distribution associated with these iterates to the underlying target distribution in Wasserstein distance. In simulation, we deploy our algorithm on linear and logistic regression tasks and illustrate its fast convergence compared to existing gradient-based methods.
The quantum convolutional neural network (QCNN) is a promising quantum machine learning (QML) model that is expected to achieve quantum advantages in classically intractable problems. However, the QCNN requires a large number of measurements for data learning, limiting its practical applications in large-scale problems. To alleviate this requirement, we propose a novel architecture called split-parallelizing QCNN (sp-QCNN), which exploits the prior knowledge of quantum data to design an efficient model. This architecture draws inspiration from geometric quantum machine learning and targets translationally symmetric quantum data commonly encountered in physics and quantum computing science. By splitting the quantum circuit based on translational symmetry, the sp-QCNN can substantially parallelize the conventional QCNN without increasing the number of qubits and improve the measurement efficiency by an order of the number of qubits. To demonstrate its effectiveness, we apply the sp-QCNN to a quantum phase recognition task and show that it can achieve comparable classification accuracy to the conventional QCNN while considerably reducing the measurement resources required. Due to its high measurement efficiency, the sp-QCNN can mitigate statistical errors in estimating the gradient of the loss function, thereby accelerating the learning process. These results open up new possibilities for incorporating the prior data knowledge into the efficient design of QML models, leading to practical quantum advantages.
Scilab-RL: A software framework for efficient reinforcement learning and cognitive modeling research
One problem with researching cognitive modeling and reinforcement learning (RL) is that researchers spend too much time on setting up an appropriate computational framework for their experiments. Many open source implementations of current RL algorithms exist, but there is a lack of a modular suite of tools combining different robotic simulators and platforms, data visualization, hyperparameter optimization, and baseline experiments. To address this problem, we present Scilab-RL, a software framework for efficient research in cognitive modeling and reinforcement learning for robotic agents. The framework focuses on goal-conditioned reinforcement learning using Stable Baselines 3 and the OpenAI gym interface. It enables native possibilities for experiment visualizations and hyperparameter optimization. We describe how these features enable researchers to conduct experiments with minimal time effort, thus maximizing research output.
This study addresses the challenge of extending Large Language Models (LLMs) to non-English languages, specifically those using non-Latin scripts. We propose an innovative approach that utilizes the romanized form of text as an interface for LLMs, hypothesizing that its frequent informal use and shared tokens with English enhance cross-lingual alignment. Focusing on Hindi, we demonstrate through Hindi-to-English translation and sentiment analysis tasks that romanized text not only significantly improves inference efficiency due to its lower fertility compared to native text but also achieves competitive performance with limited pre-training. Additionally, our novel multi-script prompting approach, which combines romanized and native texts, shows promise in further enhancing task performance. These findings suggest the potential of romanization in bridging the language gap for LLM applications, with future work aimed at expanding this approach to more languages and tasks.
We study the regret guarantee for risk-sensitive reinforcement learning (RSRL) via distributional reinforcement learning (DRL) methods. In particular, we consider finite episodic Markov decision processes whose objective is the entropic risk measure (EntRM) of return. By leveraging a key property of the EntRM, the independence property, we establish the risk-sensitive distributional dynamic programming framework. We then propose two novel DRL algorithms that implement optimism through two different schemes, including a model-free one and a model-based one. We prove that they both attain $\tilde{\mathcal{O}}(\frac{\exp(|\beta| H)-1}{|\beta|}H\sqrt{S^2AK})$ regret upper bound, where $S$, $A$, $K$, and $H$ represent the number of states, actions, episodes, and the time horizon, respectively. It matches RSVI2 proposed in \cite{fei2021exponential}, with novel distributional analysis. To the best of our knowledge, this is the first regret analysis that bridges DRL and RSRL in terms of sample complexity. Acknowledging the computational inefficiency associated with the model-free DRL algorithm, we propose an alternative DRL algorithm with distribution representation. This approach not only maintains the established regret bounds but also significantly amplifies computational efficiency. We also prove a tighter minimax lower bound of $\Omega(\frac{\exp(\beta H/6)-1}{\beta H}H\sqrt{SAT})$ for the $\beta>0$ case, which recovers the tight lower bound $\Omega(H\sqrt{SAT})$ in the risk-neutral setting.
In this work, we aim to establish a Bayesian adaptive learning framework by focusing on estimating latent variables in deep neural network (DNN) models. Latent variables indeed encode both transferable distributional information and structural relationships. Thus the distributions of the source latent variables (prior) can be combined with the knowledge learned from the target data (likelihood) to yield the distributions of the target latent variables (posterior) with the goal of addressing acoustic mismatches between training and testing conditions. The prior knowledge transfer is accomplished through Variational Bayes (VB). In addition, we also investigate Maximum a Posteriori (MAP) based Bayesian adaptation. Experimental results on device adaptation in acoustic scene classification show that our proposed approaches can obtain good improvements on target devices, and consistently outperforms other cut-edging algorithms.
Speech foundation models (SFMs) have been benchmarked on many speech processing tasks, often achieving state-of-the-art performance with minimal adaptation. However, the SFM paradigm has been significantly less explored for applications of interest to the speech perception community. In this paper we present a systematic evaluation of 10 SFMs on one such application: Speech intelligibility prediction. We focus on the non-intrusive setup of the Clarity Prediction Challenge 2 (CPC2), where the task is to predict the percentage of words correctly perceived by hearing-impaired listeners from speech-in-noise recordings. We propose a simple method that learns a lightweight specialized prediction head on top of frozen SFMs to approach the problem. Our results reveal statistically significant differences in performance across SFMs. Our method resulted in the winning submission in the CPC2, demonstrating its promise for speech perception applications.
Network representation learning in low dimensional vector space has attracted considerable attention in both academic and industrial domains. Most real-world networks are dynamic with addition/deletion of nodes and edges. The existing graph embedding methods are designed for static networks and they cannot capture evolving patterns in a large dynamic network. In this paper, we propose a dynamic embedding method, dynnode2vec, based on the well-known graph embedding method node2vec. Node2vec is a random walk based embedding method for static networks. Applying static network embedding in dynamic settings has two crucial problems: 1) Generating random walks for every time step is time consuming 2) Embedding vector spaces in each timestamp are different. In order to tackle these challenges, dynnode2vec uses evolving random walks and initializes the current graph embedding with previous embedding vectors. We demonstrate the advantages of the proposed dynamic network embedding by conducting empirical evaluations on several large dynamic network datasets.
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