Directed Networks
Bayesian Modeling and Estimation of Linear Time-Variant Systems using Neural Networks and Gaussian Processes
The identification of Linear Time-V ariant (L TV) systems from input-output data is a fundamental yet challenging ill-posed inverse problem. This work introduces a unified Bayesian framework that models the system's impulse response, h( t,ฯ), as a stochastic process. We decompose the response into a posterior mean and a random fluctuation term, a formulation that provides a principled approach for quantifying uncertainty and naturally defines a new, useful system class we term Linear Time-Invariant in Expectation (L TIE). To perform inference, we leverage modern machine learning techniques, including Bayesian neural networks and Gaussian Processes, using scalable variational inference. We demonstrate through a series of experiments that our framework can robustly infer the properties of an L TI system from a single noisy observation, show superior data e fficiency compared to classical methods in a simulated ambient noise tomography problem, and successfully track a continuously varying L TV impulse response by using a structured Gaussian Process prior. This work provides a flexible and robust methodology for uncertainty-aware system identification in dynamic environments.1. Introduction Linear Time-V ariant (L TV) systems are fundamental to modeling dynamic processes in fields ranging from geophysics and communications to control theory (Kozachek et al., 2024; Lin et al., 2020). Unlike their time-invariant counterparts, an L TV system's behavior is described by an impulse response, h( t,ฯ), that changes over time, posing significant challenges for analysis and estimation (Kailath, 1962; Bello, 1963). The task of identifying h( t,ฯ) from input-output data is a severely ill-posed inverse problem, as one must infer a function of two variables from one-dimensional time series (Aubel and B olcskei, 2015). This work introduces a Bayesian framework for modeling such systems, where the inherent uncertainty and time-varying nature are captured probabilistically.
(Exhaustive) Symbolic Regression and model selection by minimum description length
Symbolic regression is the machine learning method for learning functions from data. After a brief overview of the symbolic regression landscape, I will describe the two main challenges that traditional algorithms face: they have an unknown (and likely significant) probability of failing to find any given good function, and they suffer from ambiguity and poorly-justified assumptions in their function-selection procedure. To address these I propose an exhaustive search and model selection by the minimum description length principle, which allows accuracy and complexity to be directly traded off by measuring each in units of information. I showcase the resulting publicly available Exhaustive Symbolic Regression algorithm on three open problems in astrophysics: the expansion history of the universe, the effective behaviour of gravity in galaxies and the potential of the inflaton field. In each case the algorithm identifies many functions superior to the literature standards. This general purpose methodology should find widespread utility in science and beyond.
MC$^2$A: Enabling Algorithm-Hardware Co-Design for Efficient Markov Chain Monte Carlo Acceleration
Zhao, Shirui, Yin, Jun, Yao, Lingyun, Andraud, Martin, Meert, Wannes, Verhelst, Marian
An increasing number of applications are exploiting sampling-based algorithms for planning, optimization, and inference. The Markov Chain Monte Carlo (MCMC) algorithms form the computational backbone of this emerging branch of machine learning. Unfortunately, the high computational cost limits their feasibility for large-scale problems and real-world applications, and the existing MCMC acceleration solutions are either limited in hardware flexibility or fail to maintain efficiency at the system level across a variety of end-to-end applications. This paper introduces \textbf{MC$^2$A}, an algorithm-hardware co-design framework, enabling efficient and flexible optimization for MCMC acceleration. Firstly, \textbf{MC$^2$A} analyzes the MCMC workload diversity through an extension of the processor performance roofline model with a 3rd dimension to derive the optimal balance between the compute, sampling and memory parameters. Secondly, \textbf{MC$^2$A} proposes a parametrized hardware accelerator architecture with flexible and efficient support of MCMC kernels with a pipeline of ISA-programmable tree-structured processing units, reconfigurable samplers and a crossbar interconnect to support irregular access. Thirdly, the core of \textbf{MC$^2$A} is powered by a novel Gumbel sampler that eliminates exponential and normalization operations. In the end-to-end case study, \textbf{MC$^2$A} achieves an overall {$307.6\times$, $1.4\times$, $2.0\times$, $84.2\times$} speedup compared to the CPU, GPU, TPU and state-of-the-art MCMC accelerator. Evaluated on various representative MCMC workloads, this work demonstrates and exploits the feasibility of general hardware acceleration to popularize MCMC-based solutions in diverse application domains.
Data Transformation Strategies to Remove Heterogeneity
Yoo, Sangbong, Lee, Jaeyoung, Yoon, Chanyoung, Son, Geonyeong, Hong, Hyein, Seo, Seongbum, Yim, Soobin, Jung, Chanyoung, Park, Jungsoo, Kim, Misuk, Jang, Yun
Data heterogeneity is a prevalent issue, stemming from various conflicting factors, making its utilization complex. This uncertainty, particularly resulting from disparities in data formats, frequently necessitates the involvement of experts to find resolutions. Current methodologies primarily address conflicts related to data structures and schemas, often overlooking the pivotal role played by data transformation. As the utilization of artificial intelligence (AI) continues to expand, there is a growing demand for a more streamlined data preparation process, and data transformation becomes paramount. It customizes training data to enhance AI learning efficiency and adapts input formats to suit diverse AI models. Selecting an appropriate transformation technique is paramount in preserving crucial data details. Despite the widespread integration of AI across various industries, comprehensive reviews concerning contemporary data transformation approaches are scarce. This survey explores the intricacies of data heterogeneity and its underlying sources. It systematically categorizes and presents strategies to address heterogeneity stemming from differences in data formats, shedding light on the inherent challenges associated with each strategy.
Robust Explanations Through Uncertainty Decomposition: A Path to Trustworthier AI
Zhu, Chenrui, Bounia, Louenas, Nguyen, Vu Linh, Destercke, Sรฉbastien, Hoarau, Arthur
Recent advancements in machine learning have emphasized the need for transparency in model predictions, particularly as interpretability diminishes when using increasingly complex architectures. In this paper, we propose leveraging prediction uncertainty as a complementary approach to classical explainability methods. Specifically, we distinguish between aleatoric (data-related) and epistemic (model-related) uncertainty to guide the selection of appropriate explanations. Epistemic uncertainty serves as a rejection criterion for unreliable explanations and, in itself, provides insight into insufficient training (a new form of explanation). Aleatoric uncertainty informs the choice between feature-importance explanations and counterfactual explanations. This leverages a framework of explainability methods driven by uncertainty quantification and disentanglement. Our experiments demonstrate the impact of this uncertainty-aware approach on the robustness and attainability of explanations in both traditional machine learning and deep learning scenarios.
LLMs are Bayesian, in Expectation, not in Realization
Chlon, Leon, Rashidi, Sarah, Khamis, Zein, Awada, MarcAntonio M.
Large language models demonstrate remarkable in-context learning capabilities, adapting to new tasks without parameter updates. While this phenomenon has been successfully modeled as implicit Bayesian inference, recent empirical findings reveal a fundamental contradiction: transformers systematically violate the martingale property, a cornerstone requirement of Bayesian updating on exchangeable data. This violation challenges the theoretical foundations underlying uncertainty quantification in critical applications. Our theoretical analysis establishes four key results: (1) positional encodings induce martingale violations of order $ฮ(\log n / n)$; (2) transformers achieve information-theoretic optimality with excess risk $O(n^{-1/2})$ in expectation over orderings; (3) the implicit posterior representation converges to the true Bayesian posterior in the space of sufficient statistics; and (4) we derive the optimal chain-of-thought length as $k^* = ฮ(\sqrt{n}\log(1/\varepsilon))$ with explicit constants, providing a principled approach to reduce inference costs while maintaining performance. Empirical validation on GPT-3 confirms predictions (1)-(3), with transformers reaching 99\% of theoretical entropy limits within 20 examples. Our framework provides practical methods for extracting calibrated uncertainty estimates from position-aware architectures and optimizing computational efficiency in deployment.
Generalized Linear Bandits: Almost Optimal Regret with One-Pass Update
Zhang, Yu-Jie, Xu, Sheng-An, Zhao, Peng, Sugiyama, Masashi
We study the generalized linear bandit (GLB) problem, a contextual multi-armed bandit framework that extends the classical linear model by incorporating a non-linear link function, thereby modeling a broad class of reward distributions such as Bernoulli and Poisson. While GLBs are widely applicable to real-world scenarios, their non-linear nature introduces significant challenges in achieving both computational and statistical efficiency. Existing methods typically trade off between two objectives, either incurring high per-round costs for optimal regret guarantees or compromising statistical efficiency to enable constant-time updates. In this paper, we propose a jointly efficient algorithm that attains a nearly optimal regret bound with $\mathcal{O}(1)$ time and space complexities per round. The core of our method is a tight confidence set for the online mirror descent (OMD) estimator, which is derived through a novel analysis that leverages the notion of mix loss from online prediction. The analysis shows that our OMD estimator, even with its one-pass updates, achieves statistical efficiency comparable to maximum likelihood estimation, thereby leading to a jointly efficient optimistic method.
From Observational Data to Clinical Recommendations: A Causal Framework for Estimating Patient-level Treatment Effects and Learning Policies
Gutman, Rom, Sheiba, Shimon, Klein, Omer Noy, Bird, Naama Dekel, Gruber, Amit, Aronson, Doron, Caspi, Oren, Shalit, Uri
We propose a framework for building patient-specific treatment recommendation models, building on the large recent literature on learning patient-level causal models and inspired by the target trial paradigm of Hernan and Robins. We focus on safety and validity, including the crucial issue of causal identification when using observational data. We do not provide a specific model, but rather a way to integrate existing methods and know-how into a practical pipeline. We further provide a real world use-case of treatment optimization for patients with heart failure who develop acute kidney injury during hospitalization. The results suggest our pipeline can improve patient outcomes over the current treatment regime.
h-calibration: Rethinking Classifier Recalibration with Probabilistic Error-Bounded Objective
Huang, Wenjian, Cao, Guiping, Xia, Jiahao, Chen, Jingkun, Wang, Hao, Zhang, Jianguo
Deep neural networks have demonstrated remarkable performance across numerous learning tasks but often suffer from miscalibration, resulting in unreliable probability outputs. This has inspired many recent works on mitigating miscalibration, particularly through post-hoc recalibration methods that aim to obtain calibrated probabilities without sacrificing the classification performance of pre-trained models. In this study, we summarize and categorize previous works into three general strategies: intuitively designed methods, binning-based methods, and methods based on formulations of ideal calibration. Through theoretical and practical analysis, we highlight ten common limitations in previous approaches. To address these limitations, we propose a probabilistic learning framework for calibration called h-calibration, which theoretically constructs an equivalent learning formulation for canonical calibration with boundedness. On this basis, we design a simple yet effective post-hoc calibration algorithm. Our method not only overcomes the ten identified limitations but also achieves markedly better performance than traditional methods, as validated by extensive experiments. We further analyze, both theoretically and experimentally, the relationship and advantages of our learning objective compared to traditional proper scoring rule. In summary, our probabilistic framework derives an approximately equivalent differentiable objective for learning error-bounded calibrated probabilities, elucidating the correspondence and convergence properties of computational statistics with respect to theoretical bounds in canonical calibration. The theoretical effectiveness is verified on standard post-hoc calibration benchmarks by achieving state-of-the-art performance. This research offers valuable reference for learning reliable likelihood in related fields.
Fiducial Matching: Differentially Private Inference for Categorical Data
Romanus, Ogonnaya Michael, Boulaguiem, Younes, Molinari, Roberto
The task of statistical inference, which includes the building of confidence intervals and tests for parameters and effects of interest to a researcher, is still an open area of investigation in a differentially private (DP) setting. Indeed, in addition to the randomness due to data sampling, DP delivers another source of randomness consisting of the noise added to protect an individual's data from being disclosed to a potential attacker. As a result of this convolution of noises, in many cases it is too complicated to determine the stochastic behavior of the statistics and parameters resulting from a DP procedure. In this work, we contribute to this line of investigation by employing a simulation-based matching approach, solved through tools from the fiducial framework, which aims to replicate the data generation pipeline (including the DP step) and retrieve an approximate distribution of the estimates resulting from this pipeline. For this purpose, we focus on the analysis of categorical (nominal) data that is common in national surveys, for which sensitivity is naturally defined, and on additive privacy mechanisms. We prove the validity of the proposed approach in terms of coverage and highlight its good computational and statistical performance for different inferential tasks in simulated and applied data settings.