Active learning optimizes the exploration of large parameter spaces by strategically selecting which experiments or simulations to conduct, thus reducing resource consumption and potentially accelerating scientific discovery. A key component of this approach is a probabilistic surrogate model, typically a Gaussian Process (GP), which approximates an unknown functional relationship between control parameters and a target property. However, conventional GPs often struggle when applied to systems with discontinuities and non-stationarities, prompting the exploration of alternative models. This limitation becomes particularly relevant in physical science problems, which are often characterized by abrupt transitions between different system states and rapid changes in physical property behavior. Fully Bayesian Neural Networks (FBNNs) serve as a promising substitute, treating all neural network weights probabilistically and leveraging advanced Markov Chain Monte Carlo techniques for direct sampling from the posterior distribution. This approach enables FBNNs to provide reliable predictive distributions, crucial for making informed decisions under uncertainty in the active learning setting. Although traditionally considered too computationally expensive for 'big data' applications, many physical sciences problems involve small amounts of data in relatively low-dimensional parameter spaces. Here, we assess the suitability and performance of FBNNs with the No-U-Turn Sampler for active learning tasks in the 'small data' regime, highlighting their potential to enhance predictive accuracy and reliability on test functions relevant to problems in physical sciences.
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主動學習是機器學習（更普遍的說是人工智能）的一個子領域，在統計學領域也叫查詢學習、最優實驗設計。“學習模塊”和“選擇策略”是主動學習算法的2個基本且重要的模塊。
主動學習是“一種學習方法，在這種方法中，學生會主動或體驗性地參與學習過程，并且根據學生的參與程度，有不同程度的主動學習。” （Bonwell＆Eison 1991）Bonwell＆Eison（1991） 指出：“學生除了被動地聽課以外，還從事其他活動。” 在高等教育研究協會（ASHE）的一份報告中，作者討論了各種促進主動學習的方法。他們引用了一些文獻，這些文獻表明學生不僅要做聽，還必須做更多的事情才能學習。他們必須閱讀，寫作，討論并參與解決問題。此過程涉及三個學習領域，即知識，技能和態度（KSA）。這種學習行為分類法可以被認為是“學習過程的目標”。特別是，學生必須從事諸如分析，綜合和評估之類的高級思維任務。
Recent work on discrete speech tokenization has paved the way for models that can seamlessly perform multiple tasks across modalities, e.g., speech recognition, text to speech, speech to speech translation. Moreover, large language models (LLMs) pretrained from vast text corpora contain rich linguistic information that can improve accuracy in a variety of tasks. In this paper, we present a decoder-only Discrete Multimodal Language Model (DMLM), which can be flexibly applied to multiple tasks (ASR, T2S, S2TT, etc.) and modalities (text, speech, vision). We explore several critical aspects of discrete multi-modal models, including the loss function, weight initialization, mixed training supervision, and codebook. Our results show that DMLM benefits significantly, across multiple tasks and datasets, from a combination of supervised and unsupervised training. Moreover, for ASR, it benefits from initializing DMLM from a pretrained LLM, and from a codebook derived from Whisper activations.
Quantum machine learning (QML) is a rapidly expanding field that merges the principles of quantum computing with the techniques of machine learning. One of the powerful mathematical frameworks in this domain is tensor networks. These networks are used to approximate high-order tensors by contracting tensors with lower ranks. Originally developed for simulating quantum systems, tensor networks have become integral to quantum computing and, by extension, to QML. Their ability to efficiently represent and manipulate complex, high-dimensional data makes them suitable for various machine learning tasks within the quantum realm. Here, we present a matrix product state (MPS) model, where the MPS functions as both a classifier and a generator. The dual functionality of this novel MPS model permits a strategy that enhances the traditional training of supervised MPS models. This framework is inspired by generative adversarial networks and is geared towards generating more realistic samples by reducing outliers. Additionally, our contributions offer insights into the mechanics of tensor network methods for generation tasks. Specifically, we discuss alternative embedding functions and a new sampling method from non-normalized MPSs.
Robust estimation of the essential matrix, which encodes the relative position and orientation of two cameras, is a fundamental step in structure from motion pipelines. Recent deep-based methods achieved accurate estimation by using complex network architectures that involve graphs, attention layers, and hard pruning steps. Here, we propose a simpler network architecture based on Deep Sets. Given a collection of point matches extracted from two images, our method identifies outlier point matches and models the displacement noise in inlier matches. A weighted DLT module uses these predictions to regress the essential matrix. Our network achieves accurate recovery that is superior to existing networks with significantly more complex architectures.
The strong capability of large language models (LLMs) has been applied to information extraction (IE) through either retrieval augmented prompting or instruction tuning (IT). However, the best way to incorporate information with LLMs for IE remains an open question. In this paper, we explore Retrieval Augmented Instruction Tuning (RA-IT) for IE, focusing on the task of open named entity recognition (NER). Specifically, for each training sample, we retrieve semantically similar examples from the training dataset as the context and prepend them to the input of the original instruction. To evaluate our RA-IT approach more thoroughly, we construct a Chinese IT dataset for open NER and evaluate RA-IT in both English and Chinese scenarios. Experimental results verify the effectiveness of RA-IT across various data sizes and in both English and Chinese scenarios. We also conduct thorough studies to explore the impacts of various retrieval strategies in the proposed RA-IT framework. Code and data are available at: //github.com/Emma1066/Retrieval-Augmented-IT-OpenNER
Training and inference with large machine learning models that far exceed the memory capacity of individual devices necessitates the design of distributed architectures, forcing one to contend with communication constraints. We present a framework for distributed computation over a quantum network in which data is encoded into specialized quantum states. We prove that for models within this framework, inference and training using gradient descent can be performed with exponentially less communication compared to their classical analogs, and with relatively modest overhead relative to standard gradient-based methods. We show that certain graph neural networks are particularly amenable to implementation within this framework, and moreover present empirical evidence that they perform well on standard benchmarks. To our knowledge, this is the first example of exponential quantum advantage for a generic class of machine learning problems that hold regardless of the data encoding cost. Moreover, we show that models in this class can encode highly nonlinear features of their inputs, and their expressivity increases exponentially with model depth. We also delineate the space of models for which exponential communication advantages hold by showing that they cannot hold for linear classification. Our results can be combined with natural privacy advantages in the communicated quantum states that limit the amount of information that can be extracted from them about the data and model parameters. Taken as a whole, these findings form a promising foundation for distributed machine learning over quantum networks.
Extracting time-varying latent variables from computational cognitive models is a key step in model-based neural analysis, which aims to understand the neural correlates of cognitive processes. However, existing methods only allow researchers to infer latent variables that explain subjects' behavior in a relatively small class of cognitive models. For example, a broad class of relevant cognitive models with analytically intractable likelihood is currently out of reach from standard techniques, based on Maximum a Posteriori parameter estimation. Here, we present an approach that extends neural Bayes estimation to learn a direct mapping between experimental data and the targeted latent variable space using recurrent neural networks and simulated datasets. We show that our approach achieves competitive performance in inferring latent variable sequences in both tractable and intractable models. Furthermore, the approach is generalizable across different computational models and is adaptable for both continuous and discrete latent spaces. We then demonstrate its applicability in real world datasets. Our work underscores that combining recurrent neural networks and simulation-based inference to identify latent variable sequences can enable researchers to access a wider class of cognitive models for model-based neural analyses, and thus test a broader set of theories.
Deep learning models have significantly improved prediction accuracy in various fields, gaining recognition across numerous disciplines. Yet, an aspect of deep learning that remains insufficiently addressed is the assessment of prediction uncertainty. Producing reliable uncertainty estimators could be crucial in practical terms. For instance, predictions associated with a high degree of uncertainty could be sent for further evaluation. Recent works in uncertainty quantification of deep learning predictions, including Bayesian posterior credible intervals and a frequentist confidence-interval estimation, have proven to yield either invalid or overly conservative intervals. Furthermore, there is currently no method for quantifying uncertainty that can accommodate deep neural networks for survival (time-to-event) data that involves right-censored outcomes. In this work, we provide a valid non-parametric bootstrap method that correctly disentangles data uncertainty from the noise inherent in the adopted optimization algorithm, ensuring that the resulting point-wise confidence intervals or the simultaneous confidence bands are accurate (i.e., valid and not overly conservative). The proposed ad-hoc method can be easily integrated into any deep neural network without interfering with the training process. The utility of the proposed approach is illustrated by constructing simultaneous confidence bands for survival curves derived from deep neural networks for survival data with right censoring.
Edge computing has recently emerged as a promising paradigm to boost the performance of distributed learning by leveraging the distributed resources at edge nodes. Architecturally, the introduction of edge nodes adds an additional intermediate layer between the master and workers in the original distributed learning systems, potentially leading to more severe straggler effect. Recently, coding theory-based approaches have been proposed for stragglers mitigation in distributed learning, but the majority focus on the conventional workers-master architecture. In this paper, along a different line, we investigate the problem of mitigating the straggler effect in hierarchical distributed learning systems with an additional layer composed of edge nodes. Technically, we first derive the fundamental trade-off between the computational loads of workers and the stragglers tolerance. Then, we propose a hierarchical gradient coding framework, which provides better stragglers mitigation, to achieve the derived computational trade-off. To further improve the performance of our framework in heterogeneous scenarios, we formulate an optimization problem with the objective of minimizing the expected execution time for each iteration in the learning process. We develop an efficient algorithm to mathematically solve the problem by outputting the optimum strategy. Extensive simulation results demonstrate the superiority of our schemes compared with conventional solutions.
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.
Graph Neural Networks (GNNs) have received considerable attention on graph-structured data learning for a wide variety of tasks. The well-designed propagation mechanism which has been demonstrated effective is the most fundamental part of GNNs. Although most of GNNs basically follow a message passing manner, litter effort has been made to discover and analyze their essential relations. In this paper, we establish a surprising connection between different propagation mechanisms with a unified optimization problem, showing that despite the proliferation of various GNNs, in fact, their proposed propagation mechanisms are the optimal solution optimizing a feature fitting function over a wide class of graph kernels with a graph regularization term. Our proposed unified optimization framework, summarizing the commonalities between several of the most representative GNNs, not only provides a macroscopic view on surveying the relations between different GNNs, but also further opens up new opportunities for flexibly designing new GNNs. With the proposed framework, we discover that existing works usually utilize naive graph convolutional kernels for feature fitting function, and we further develop two novel objective functions considering adjustable graph kernels showing low-pass or high-pass filtering capabilities respectively. Moreover, we provide the convergence proofs and expressive power comparisons for the proposed models. Extensive experiments on benchmark datasets clearly show that the proposed GNNs not only outperform the state-of-the-art methods but also have good ability to alleviate over-smoothing, and further verify the feasibility for designing GNNs with our unified optimization framework.
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