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Time Series Analysis in Machine Learning

arXiv.org Machine Learning

Time series analysis is a fundamental component of machine learning, especially in astrophysics and cosmology where temporal data abound. This chapter provides a pedagogical review of time series analysis techniques from a machine learning perspective. We cover the basic concepts of time series (stationarity, autocorrelation, seasonality), classical statistical models (autoregressive, moving average, ARIMA, exponential smoothing, state-space models), and modern machine learning approaches. In particular, we discuss how traditional statistical methods lay the groundwork, and then explore machine learning methods for time series, including feature-based regression, tree-based ensemble methods, hidden Markov models, Gaussian processes, and deep learning models (recurrent neural networks, convolutional networks, transformers). Throughout, we illustrate with examples drawn from multiple domains (e.g. astronomy, weather forecasting, finance) to emphasize common principles. The goal is to equip readers with both the theoretical understanding and practical context to apply machine learning techniques for time series analysis in their research.


Querying Counterfactuals on Tissue Graphs with Supervised Disentanglement

arXiv.org Machine Learning

Tissue graph counterfactuals ask how a cell's expression would change under altered spatial neighbor contexts. Such queries are central to predicting cell behavior in tissues, but lack a unified definition, with existing methods targeting specific intervention types or treating cells as i.i.d. In this work, we first formalize tissue graph counterfactuals as a class of spatial interventions that either rewire connections between cells (edge perturbation) or modify the expression of their neighbors (node perturbation). We then introduce Cellina, a framework that uses supervised disentanglement to decompose a cell's intrinsic state from its spatial context, using the latter as a conditioning input for counterfactual predictions. Across benchmarks spanning over 2.5 million spatially-resolved cells in colorectal cancer and mouse brain, Cellina outperforms spatially-informed and non-spatial competitors in insilico graph perturbations, disentanglement, and scalability. Additionally, we show that Cellina reveals biologically distinct cancer subdomains in an unsupervised manner and enables targeted neighbor perturbation simulations.


The Power of Test-Time Training for Approximate Sampling

arXiv.org Machine Learning

Efficiently sampling from a complex probability distribution is a fundamental problem which has become increasingly pertinent in recent years with the rise of generative AI, as sophisticated sampling procedures from LLMs have been proposed to solve challenging reasoning problems. The efficacy of such sampling algorithms is limited, however, by the relationship between the LLM and the particular sampling task at hand, which has motivated the framework of test-time training (TTT). TTT works by updating a model's weights in response to partial generations and reward feedback received at inference time, thus adapting to the particular problem. In this work, we propose a formalization for TTT as the problem of producing a sample from a given probability measure $μ^\star$ belonging to a known class ${F}$ of distributions, given an oracle $\hat μ$ which yields approximate density estimates for $μ^\star$. This is closely related to the problem of reducing sampling to approximate counting studied in seminal works of Jerrum, Valiant & Vazirani (1986) and Jerrum & Sinclair (1989): namely, when ${F}$ is the class of all distributions, it coincides exactly with the aforementioned counting-to-sampling reduction. In this paper, we first show a quadratic lower bound on the query complexity of sampling from $μ^\star$ given query access to $\hat μ$ (for sufficiently large classes ${F}$), thus showing that the random walk approach proposed by Jerrum & Sinclair (1989) and refined by Hayes & Sinclair (2010), is optimal. This answers an open question posed by Hayes & Sinclair. We then show that this lower bound can be circumvented if the size of ${F}$ is bounded appropriately. As we discuss, this latter result can be viewed as an abstraction of TTT, and thus represents a starting point for the development of a principled theoretical framework for TTT.


Market Design for AI: Beyond the Copyright Binary

arXiv.org Machine Learning

How can we design a market of human-generated content for use in training AI models that both enables technological progress and preserves individual incentives for high-quality content creation? Existing approaches take polar positions: a "free-for-all" model based on fair use and a "strong intellectual property rights" model. We show that both fail: Free-for-all does not compensate creators, and -- by modeling as a static Stackelberg game -- strong intellectual property rights also underpower creative incentives. We find this especially true for more innovative creators, a phenomenon we term the "originality penalty." Extending this insight to a dynamic model, we find another market failure undermining AI model performance, even for an initially good model: Such a model induces greater reliance by humans on AI-assisted creation, resulting in homogenized content feeding back into training, which degrades the model performance -- a "curse of precision." We further propose a market design with a data intermediary internalizing cross-creator externalities and subsidizing innovative contributions, thereby restoring efficiency.


What Uncertainties Do We Need for Dynamical Systems?

arXiv.org Machine Learning

Given this law, the evolution of a continuoustime autonomous1 dynamical system is determined by its Uncertainty has become a central topic in machine learning initial state. Or, stated differently, the evolution is given by (ML), with increasing interest in the distinction between aleatoric and epistemic uncertainty. Aleatoric uncertainty the solution to the initial value problem reflects randomness inherent in a process, whereas epistemicx (t) = f(x(t)), x(0) = x0, (1) uncertainty originates from a lack of knowledge about that process. The former is therefore irreducible, while the latterwhere x(t) X is the state at time t and x0 X the can, in principle, be reduced by gathering more information (Hullermeier and Waegeman, 2021).


Enhancing Spectral Embedding through Robust and Flexible Knowledge Transfer in Electronic Health Records

arXiv.org Machine Learning

We propose a spectral-based, unsupervised representation learning framework to derive low-dimensional embeddings for clinical concepts and patients in rare disease cohorts from electronic health records, where data are high-dimensional but sample sizes are limited. To overcome this challenge, we incorporate a knowledge matrix extracted from a broader population that shares a partially overlapping subspace with the rare-disease cohort. Our method departs from existing approaches by relaxing restrictive one-to-one signal-alignment assumptions between the latent data matrix and knowledge matrix, allowing more flexible and realistic forms of structured sharing. We introduce a novel two-step spectral embedding procedure: first, we identify and remove irrelevant components from the knowledge matrix; then, we apply a projection-based method to separately recover shared and heterogeneous components. Simulations and an analysis of a real-world multiple sclerosis cohort show that the proposed method outperforms competing approaches, particularly in challenging scenarios where shared signals are weak and only partially aligned, as is common in rare-disease data.


BikeBench: A Bicycle Design Benchmark for Generative Models with Objectives and Constraints

Neural Information Processing Systems

We introduce BikeBench, an engineering design benchmark for evaluating generative models on problems with multiple real-world objectives and constraints. As generative AI's reach continues to grow, evaluating its capability to understand physical laws, human guidelines, and hard constraints grows increasingly important. Engineering product design lies at the intersection of these difficult tasks, providing new challenges for AI capabilities. BikeBench evaluates AI models' capabilities to generate bicycle designs that not only resemble the dataset, but meet specific performance objectives and constraints. To do so, BikeBench quantifies a variety of human-centered and multiphysics performance characteristics, such as aerodynamics, ergonomics, structural mechanics, human-rated usability, and similarity to subjective text or image prompts. Supporting the benchmark are several datasets of simulation results, a dataset of 10,000 human-rated bicycle assessments, and a synthetically generated dataset of 1.6M designs, each with a parametric, CAD/XML, SVG, and PNG representation. BikeBench is uniquely configured to evaluate tabular generative models, large language models (LLMs), design optimization, and hybrid algorithms side-by-side. Our experiments indicate that LLMs and tabular generative models fall short of hybrid GenAI+optimization algorithms in design quality, constraint satisfaction, and similarity scores, suggesting significant room for improvement. We hope that BikeBench, a first-of-its-kind benchmark, will help catalyze progress in generative AI for constrained multi-objective engineering design problems.


FuncGenFoil: Airfoil Generation and Editing Model in Function Space

Neural Information Processing Systems

Aircraft manufacturing is the jewel in the crown of industry, in which generating high-fidelity airfoil geometries with controllable and editable representations remains a fundamental challenge. Existing deep learning methods, which typically rely on predefined parametric representations (e.g., Bézier curves) or discrete point sets, face an inherent trade-off between expressive power and resolution adaptability. To tackle this challenge, we introduce FuncGenFoil, a novel function-space generative model that directly reconstructs airfoil geometries as function curves. Our method inherits the advantages of arbitrary-resolution sampling and smoothness from parametric functions, as well as the strong expressiveness of discrete point-based representations. Empirical evaluations demonstrate that FuncGenFoil improves upon state-of-the-art methods in airfoil generation, achieving a relative 74.4% reduction in label error and a 23.2% increase in diversity on the AF-200K dataset. Our results highlight the advantages of function-space modeling for aerodynamic shape optimization, offering a powerful and flexible framework for high-fidelity airfoil design.


Towards Comprehensive Scene Understanding: Integrating First and Third-Person Views for LVLMs

Neural Information Processing Systems

Large vision-language models (LVLMs) are increasingly deployed in interactive applications such as virtual and augmented reality, where a first-person (egocentric) view captured by head-mounted cameras serves as key input. While this view offers fine-grained cues about user attention and hand-object interactions, its narrow field of view and lack of global context often lead to failures on spatially or contextually demanding queries. To address this, we introduce a framework that augments egocentric inputs with third-person (exocentric) views, providing complementary information such as global scene layout and object visibility to LVLMs. We present E3VQA, the first benchmark for multi-view question answering with 4K high-quality question-answer pairs grounded in synchronized ego-exo image pairs. Additionally, we propose M3CoT, a training-free prompting technique that constructs a unified scene representation by integrating scene graphs from three complementary perspectives. M3CoT enables LVLMs to reason more effectively across views, yielding consistent performance gains (4.84\% for GPT-4o and 5.94\% for Gemini 2.0 Flash) over a recent CoT baseline. Our extensive evaluation reveals key strengths and limitations of LVLMs in multi-view reasoning and highlights the value of leveraging both egocentric and exocentric inputs.


RTV-Bench: Benchmarking MLLM Continuous Perception, Understanding and Reasoning through Real-Time Video

Neural Information Processing Systems

Multimodal Large Language Models (MLLMs) increasingly excel at perception,understanding, and reasoning. However, current benchmarks inadequately evaluate their ability to perform these tasks continuously in dynamic, real-world environments. To bridge this gap, we introduce RT V-Bench, a fine-grained benchmark for MLLM real-time video analysis. RTV-Bench includes three key principles: (1) Multi-Timestamp Question Answering (MTQA), where answers evolve with scene changes; (2) Hierarchical Question Structure, combining basic and advanced queries; and (3) Multi-dimensional Evaluation, assessing the ability of continuous perception, understanding, and reasoning. RTV-Bench contains 552 diverse videos (167.2 hours) and 4,631 high-quality QA pairs. We evaluated leading MLLMs, including proprietary (GPT-4o, Gemini 2.0), open-source offline (Qwen2.5-VL,