Significant challenges exist in efficient data analysis of most advanced experimental and observational techniques because the collected signals often include unwanted contributions--such as background and signal distortions--that can obscure the physically relevant information of interest. To address this, we have developed a self-supervised machine-learning approach for source separation using a dual implicit neural representation framework that jointly trains two neural networks: one for approximating distortions of the physical signal of interest and the other for learning the effective background contribution. Our method learns directly from the raw data by minimizing a reconstruction-based loss function without requiring labeled data or pre-defined dictionaries. We demonstrate the effectiveness of our framework by considering a challenging case study involving large-scale simulated as well as experimental momentum-energy-dependent inelastic neutron scattering data in a four-dimensional parameter space, characterized by heterogeneous background contributions and unknown distortions to the target signal. The method is found to successfully separate physically meaningful signals from a complex or structured background even when the signal characteristics vary across all four dimensions of the parameter space. An analytical approach that informs the choice of the regularization parameter is presented. Our method offers a versatile framework for addressing source separation problems across diverse domains, ranging from superimposed signals in astronomical measurements to structural features in biomedical image reconstructions.

Remote sensing change detection aims to localize semantic changes between images of the same location captured at different times. In the past few years, newer methods have attributed enhanced performance to the additions of new and complex components to existing architectures. Most fail to measure the performance contribution of fundamental design choices such as backbone selection, pre-training strategies, and training configurations. We claim that such fundamental design choices often improve performance even more significantly than the addition of new architectural components. Due to that, we systematically revisit the design space of change detection models and analyse the full potential of a well-optimised baseline. We identify a set of fundamental design choices that benefit both new and existing architectures. Leveraging this insight, we demonstrate that when carefully designed, even an architecturally simple model can match or surpass state-of-the-art performance on six challenging change detection datasets. Our best practices generalise beyond our architecture and also offer performance improvements when applied to related methods, indicating that the space of fundamental design choices has been underexplored. Our guidelines and architecture provide a strong foundation for future methods, emphasizing that optimizing core components is just as important as architectural novelty in advancing change detection performance. Code: https://github.com/blaz-r/BTC-change-detection

Self Supervised Learning(SSL) has emerged as a prominent paradigm for label-efficient learning, and has been widely utilized by remote sensing foundation models(RSFMs). Recent RSFMs including SatMAE, DoFA, primarily rely on masked autoencoding(MAE), contrastive learning or some combination of them. However, these pretext tasks often overlook the unique temporal characteristics of agricultural landscape, namely nature's cycle. Motivated by this gap, we propose three novel agriculture-specific pretext tasks, namely Time-Difference Prediction(TD), Temporal Frequency Prediction(FP), and Future-Frame Prediction(FF). Comprehensive evaluation on SICKLE dataset shows FF achieves 69.6% IoU on crop mapping and FP reduces yield prediction error to 30.7% MAPE, outperforming all baselines, and TD remains competitive on most tasks.

Metal-organic frameworks (MOFs) have emerged as promising materials for various applications due to their unique structural properties and versatile functionalities. This study presents a comprehensive investigation of machine learning approaches for predicting MOF material properties. We employed five different machine learning models: Random Forest, XGBoost, LightGBM, Support Vector Machine, and Neural Network, to analyze and predict MOF characteristics using a dataset from the Kaggle platform. The models were evaluated using multiple performance metrics, including RMSE, R^2, MAE, and cross-validation scores. Results demonstrated that the Random Forest model achieved superior performance with an R^2 value of 0.891 and RMSE of 0.152, significantly outperforming other models. LightGBM showed remarkable computational efficiency, completing training in 25.7 seconds while maintaining high accuracy. Our comparative analysis revealed that ensemble learning methods generally exhibited better performance than traditional single models in MOF property prediction. This research provides valuable insights into the application of machine learning in materials science and establishes a robust framework for future MOF material design and property prediction.

In multivariate time series forecasting (MTSF), existing strategies for processing sequences are typically categorized as channel-independent and channel-mixing. The former treats all temporal information of each variable as a token, focusing on capturing local temporal features of individual variables, while the latter constructs a token from the multivariate information at each time step, emphasizing the modeling of global temporal dependencies. Current mainstream models are mostly based on Transformer and the emerging Mamba. Transformers excel at modeling global dependencies through self-attention mechanisms but exhibit limited sensitivity to local temporal patterns and suffer from quadratic computational complexity, restricting their efficiency in long-sequence processing. In contrast, Mamba, based on state space models (SSMs), achieves linear complexity and efficient long-range modeling but struggles to aggregate global contextual information in parallel. To overcome the limitations of both models, we propose DC-Mamber, a dual-channel forecasting model based on Mamba and linear Transformer for time series forecasting. Specifically, the Mamba-based channel employs a channel-independent strategy to extract intra-variable features, while the Transformer-based channel adopts a channel-mixing strategy to model cross-timestep global dependencies. DC-Mamber first maps the raw input into two distinct feature representations via separate embedding layers. These representations are then processed by a variable encoder (built on Mamba) and a temporal encoder (built on linear Transformer), respectively. Finally, a fusion layer integrates the dual-channel features for prediction. Extensive experiments on eight public datasets confirm DC-Mamber's superior accuracy over existing models.

The automated generation of layouts is vital for embodied intelligence and autonomous systems, supporting applications from virtual environment construction to home robot deployment. Current approaches, however, suffer from spatial hallucination and struggle with balancing semantic fidelity and physical plausibility, often producing layouts with deficits such as floating or overlapping objects and misaligned stacking relation. In this paper, we propose AutoLayout, a fully automated method that integrates a closed-loop self-validation process within a dual-system framework. Specifically, a slow system harnesses detailed reasoning with a Reasoning-Reflection-Generation (RRG) pipeline to extract object attributes and spatial constraints. Then, a fast system generates discrete coordinate sets and a topological relation set that are jointly validated. To mitigate the limitations of handcrafted rules, we further introduce an LLM-based Adaptive Relation Library (ARL) for generating and evaluating layouts. Through the implementation of Slow-Fast Collaborative Reasoning, the AutoLayout efficiently generates layouts after thorough deliberation, effectively mitigating spatial hallucination. Its self-validation mechanism establishes a closed-loop process that iteratively corrects potential errors, achieving a balance between physical stability and semantic consistency. The effectiveness of AutoLayout was validated across 8 distinct scenarios, where it demonstrated a significant 10.1% improvement over SOTA methods in terms of physical plausibility, semantic consistency, and functional completeness.

While chain-of-thought (CoT) monitoring is an appealing AI safety defense, recent work on "unfaithfulness" has cast doubt on its reliability. These findings highlight an important failure mode, particularly when CoT acts as a post-hoc rationalization in applications like auditing for bias. However, for the distinct problem of runtime monitoring to prevent severe harm, we argue the key property is not faithfulness but monitorability. To this end, we introduce a conceptual framework distinguishing CoT-as-rationalization from CoT-as-computation. We expect that certain classes of severe harm will require complex, multi-step reasoning that necessitates CoT-as-computation. Replicating the experimental setups of prior work, we increase the difficulty of the bad behavior to enforce this necessity condition; this forces the model to expose its reasoning, making it monitorable. We then present methodology guidelines to stress-test CoT monitoring against deliberate evasion. Applying these guidelines, we find that models can learn to obscure their intentions, but only when given significant help, such as detailed human-written strategies or iterative optimization against the monitor. We conclude that, while not infallible, CoT monitoring offers a substantial layer of defense that requires active protection and continued stress-testing.

Purpose: Overall equipment efficiency (OEE) is a key manufacturing KPI, but its volatile nature complicates short-term forecasting. This study presents a novel framework combining time series decomposition and topological data analysis to improve OEE prediction across various equipment, such as hydraulic press systems. Methods: The approach begins by decomposing hourly OEE data into trend, seasonal, and residual components. The residual, capturing short-term variability, is modeled using a seasonal ARIMA with exogenous variables (SARIMAX). These exogenous features include statistical descriptors and topological summaries from related time series. To manage the high-dimensional input space, we propose a hybrid feature selection strategy using recursive feature elimination based on statistically significant SARIMAX predictors, coupled with BIC-guided particle swarm optimization. The framework is evaluated on real-world datasets from multiple production systems. Results: The proposed model consistently outperforms conventional time series models and advanced transformer-based approaches, achieving significantly lower mean absolute error and mean absolute percentage error. Conclusion: Integrating classical forecasting with topological data analysis enhances OEE prediction accuracy, enabling proactive maintenance and informed production decisions in complex manufacturing environments.

In this work, we propose a novel methodology for robustly estimating particle size distributions from optical scattering measurements using constrained Gaussian process regression. The estimation of particle size distributions is commonly formulated as a Fredholm integral equation of the first kind, an ill-posed inverse problem characterized by instability due to measurement noise and limited data. To address this, we use a Gaussian process prior to regularize the solution and integrate a normalization constraint into the Gaussian process via two approaches: by constraining the Gaussian process using a pseudo-measurement and by using Lagrange multipliers in the equivalent optimization problem. To improve computational efficiency, we employ a spectral expansion of the covariance kernel using eigenfunctions of the Laplace operator, resulting in a computationally tractable low-rank representation without sacrificing accuracy. Additionally, we investigate two complementary strategies for hyperparameter estimation: a data-driven approach based on maximizing the unconstrained log marginal likelihood, and an alternative approach where the physical constraints are taken into account. Numerical experiments demonstrate that the proposed constrained Gaussian process regression framework accurately reconstructs particle size distributions, producing numerically stable, smooth, and physically interpretable results. This methodology provides a principled and efficient solution for addressing inverse scattering problems and related ill-posed integral equations.

This thesis focuses on the discovery of stochastic differential equations (SDEs) and stochastic partial differential equations (SPDEs) from noisy and discrete time series. A major challenge is selecting the simplest possible correct model from vast libraries of candidate models, where standard information criteria (AIC, BIC) are often limited. We introduce PASTIS (Parsimonious Stochastic Inference), a new information criterion derived from extreme value theory. Its penalty term, $n_\mathcal{B} \ln(n_0/p)$, explicitly incorporates the size of the initial library of candidate parameters ($n_0$), the number of parameters in the considered model ($n_\mathcal{B}$), and a significance threshold ($p$). This significance threshold represents the probability of selecting a model containing more parameters than necessary when comparing many models. Benchmarks on various systems (Lorenz, Ornstein-Uhlenbeck, Lotka-Volterra for SDEs; Gray-Scott for SPDEs) demonstrate that PASTIS outperforms AIC, BIC, cross-validation (CV), and SINDy (a competing method) in terms of exact model identification and predictive capability. Furthermore, real-world data can be subject to large sampling intervals ($Δt$) or measurement noise ($σ$), which can impair model learning and selection capabilities. To address this, we have developed robust variants of PASTIS, PASTIS-$Δt$ and PASTIS-$σ$, thus extending the applicability of the approach to imperfect experimental data. PASTIS thus provides a statistically grounded, validated, and practical methodological framework for discovering simple models for processes with stochastic dynamics.