Simulation-based inference (SBI) is constantly in search of more expressive and efficient algorithms to accurately infer the parameters of complex simulation models. In line with this goal, we present consistency models for posterior estimation (CMPE), a new conditional sampler for SBI that inherits the advantages of recent unconstrained architectures and overcomes their sampling inefficiency at inference time. CMPE essentially distills a continuous probability flow and enables rapid few-shot inference with an unconstrained architecture that can be flexibly tailored to the structure of the estimation problem. We provide hyperparameters and default architectures that support consistency training over a wide range of different dimensions, including low-dimensional ones which are important in SBI workflows but were previously difficult to tackle even with unconditional consistency models. Our empirical evaluation demonstrates that CMPE not only outperforms current state-of-the-art algorithms on hard low-dimensional benchmarks, but also achieves competitive performance with much faster sampling speed on two realistic estimation problems with high data and/or parameter dimensions.

The stochastic block model (SBM) has long been studied in machine learning and network science as a canonical model for clustering and community detection. In the recent years, new developments have demonstrated the presence of threshold phenomena for this model, which have set new challenges for algorithms. For the detection problem in symmetric SBMs, Decelle et al. conjectured that the so-called Kesten-Stigum (KS) threshold can be achieved efficiently. This was proved for two communities, but remained open for three and more communities. We prove this conjecture here, obtaining a general result that applies to arbitrary SBMs with linear size communities. The developed algorithm is a linearized acyclic belief propagation (ABP) algorithm, which mitigates the effects of cycles while provably achieving the KS threshold in O(n ln n) time. This extends prior methods by achieving universally the KS threshold while reducing or preserving the computational complexity. ABP is also connected to a power iteration method on a generalized nonbacktracking operator, formalizing the spectral-message passing interplay described in Krzakala et al., and extending results from Bordenave et al.

In an increasing number of applications designers have access to multiple computer models which typically have different levels of fidelity and cost. Traditionally, designers calibrate these models one at a time against some high-fidelity data (e.g., experiments). In this paper, we question this tradition and assess the potential of calibrating multiple computer models at the same time. To this end, we develop a probabilistic framework that is founded on customized neural networks (NNs) that are designed to calibrate an arbitrary number of computer models. In our approach, we (1) consider the fact that most computer models are multi-response and that the number and nature of calibration parameters may change across the models, and (2) learn a unique probability distribution for each calibration parameter of each computer model, (3) develop a loss function that enables our NN to emulate all data sources while calibrating the computer models, and (4) aim to learn a visualizable latent space where model-form errors can be identified. We test the performance of our approach on analytic and engineering problems to understand the potential advantages and pitfalls in simultaneous calibration of multiple computer models. Our method can improve predictive accuracy, however, it is prone to non-identifiability issues in higher-dimensional input spaces that are normally constrained by underlying physics.

Efficient experiment reproduction is critical to accelerating progress in artificial intelligence. However, the inherent complexity of method design and training procedures presents substantial challenges for automation. Notably, reproducing experiments often requires implicit domain-specific knowledge not explicitly documented in the original papers. To address this, we introduce the paper lineage algorithm, which identifies and extracts implicit knowledge from the relevant references cited by the target paper. Building on this idea, we propose AutoReproduce, a multi-agent framework capable of automatically reproducing experiments described in research papers in an end-to-end manner. AutoReproduce enhances code executability by generating unit tests alongside the reproduction process. To evaluate the reproduction capability, we construct ReproduceBench, a benchmark annotated with verified implementations, and introduce novel evaluation metrics to assess both the reproduction and execution fidelity. Experimental results demonstrate that AutoReproduce outperforms the existing strong agent baselines on all five evaluation metrics by a peak margin of over $70\%$. In particular, compared to the official implementations, AutoReproduce achieves an average performance gap of $22.1\%$ on $89.74\%$ of the executable experiment runs. The code will be available at https://github.com/AI9Stars/AutoReproduce.

The coverage and composition of pretraining data significantly impacts the generalization ability of Large Language Models (LLMs). To reduce the carbon footprint and financial costs of training, some data mixing methods, which applied the optimized domain weights of a small proxy model to train a larger one, were proposed. However, these methods did not evolute with the training dynamics. The existing online data mixing (ODM) method addressed this limitation by applying the multi-armed bandit algorithm as data sampling strategy. Yet, it did not consider the intra-domain interactions. In this paper, we develop an actor-critic based online data mixing (AC-ODM) method, which captures the varying domain weights by auxiliary actor-critic networks and consider the intra-domain interactions with the reward function. While constructing the dataset to pretrain a large target LLM, we directly apply the actor, which is trained with a small proxy LLM as the environment, as the sampling strategy. The transfer of sampling strategy can not only ensure the efficiency of dynamical data mixing, but also expedite the convergence of pretraining the target LLM. Numerical results demonstrate that AC-ODM-410M, which invokes the sampling strategy obtained by a proxy LLM with 410M parameters, reaching the optimal validation perplexity of ODM 71% faster, and improves performance on the zero-shot MMLU benchmark by 27.5% of accuracy, about 2.23x better on pass@1 of HumanEval benchmark.

The widespread success of foundation models in natural language processing and computer vision has inspired researchers to extend the concept to scientific machine learning and computational science. However, this position paper argues that as the term "foundation model" is an evolving concept, its application in computational science is increasingly used without a universally accepted definition, potentially creating confusion and diluting its precise scientific meaning. In this paper, we address this gap by proposing a formal definition of foundation models in computational science, grounded in the core values of generality, reusability, and scalability. We articulate a set of essential and desirable characteristics that such models must exhibit, drawing parallels with traditional foundational methods, like the finite element and finite volume methods. Furthermore, we introduce the Data-Driven Finite Element Method (DD-FEM), a framework that fuses the modular structure of classical FEM with the representational power of data-driven learning. We demonstrate how DD-FEM addresses many of the key challenges in realizing foundation models for computational science, including scalability, adaptability, and physics consistency. By bridging traditional numerical methods with modern AI paradigms, this work provides a rigorous foundation for evaluating and developing novel approaches toward future foundation models in computational science.

We introduce Llama-Krikri-8B, a cutting-edge Large Language Model tailored for the Greek language, built on Meta's Llama 3.1-8B. Llama-Krikri-8B has been extensively trained on high-quality Greek data to ensure superior adaptation to linguistic nuances. With 8 billion parameters, it offers advanced capabilities while maintaining efficient computational performance. Llama-Krikri-8B supports both Modern Greek and English, and is also equipped to handle polytonic text and Ancient Greek. The chat version of Llama-Krikri-8B features a multi-stage post-training pipeline, utilizing both human and synthetic instruction and preference data, by applying techniques such as MAGPIE. In addition, for evaluation, we propose three novel public benchmarks for Greek. Our evaluation on existing as well as the proposed benchmarks shows notable improvements over comparable Greek and multilingual LLMs in both natural language understanding and generation as well as code generation.

Cloud Optical Thickness (COT) is a critical cloud property influencing Earth's climate, weather, and radiation budget. Satellite radiance measurements enable global COT retrieval, but challenges like 3D cloud effects, viewing angles, and atmospheric interference must be addressed to ensure accurate estimation. Traditionally, the Independent Pixel Approximation (IPA) method, which treats individual pixels independently, has been used for COT estimation. However, IPA introduces significant bias due to its simplified assumptions. Recently, deep learning-based models have shown improved performance over IPA but lack robustness, as they are sensitive to variations in radiance intensity, distortions, and cloud shadows. These models also introduce substantial errors in COT estimation under different solar and viewing zenith angles. To address these challenges, we propose a novel angle-invariant, attention-based deep model called Cloud-Attention-Net with Angle Coding (CAAC). Our model leverages attention mechanisms and angle embeddings to account for satellite viewing geometry and 3D radiative transfer effects, enabling more accurate retrieval of COT. Additionally, our multi-angle training strategy ensures angle invariance. Through comprehensive experiments, we demonstrate that CAAC significantly outperforms existing state-of-the-art deep learning models, reducing cloud property retrieval errors by at least a factor of nine.

Classifying geospatial imagery remains a major bottleneck for applications such as disaster response and land-use monitoring-particularly in regions where annotated data is scarce or unavailable. Existing tools (e.g., RS-CLIP) that claim zero-shot classification capabilities for satellite imagery nonetheless rely on task-specific pretraining and adaptation to reach competitive performance. We introduce GeoVision Labeler (GVL), a strictly zero-shot classification framework: a vision Large Language Model (vLLM) generates rich, human-readable image descriptions, which are then mapped to user-defined classes by a conventional Large Language Model (LLM). This modular, and interpretable pipeline enables flexible image classification for a large range of use cases. We evaluated GVL across three benchmarks-SpaceNet v7, UC Merced, and RESISC45. It achieves up to 93.2% zero-shot accuracy on the binary Buildings vs. No Buildings task on SpaceNet v7. For complex multi-class classification tasks (UC Merced, RESISC45), we implemented a recursive LLM-driven clustering to form meta-classes at successive depths, followed by hierarchical classification-first resolving coarse groups, then finer distinctions-to deliver competitive zero-shot performance. GVL is open-sourced at https://github.com/microsoft/geo-vision-labeler to catalyze adoption in real-world geospatial workflows.

Domain-wall dynamics in ferroelectric materials are strongly position-dependent since each polar interface is locked into a unique local microstructure. This necessitates spatially resolved studies of the wall-pinning using scanning-probe microscopy techniques. The pinning centers and preexisting domain walls are usually sparse within image plane, precluding the use of dense hyperspectral imaging modes and requiring time-consuming human experimentation. Here, a large area epitaxial PbTiO$_3$ film on cubic KTaO$_3$ were investigated to quantify the electric field driven dynamics of the polar-strain domain structures using ML-controlled automated Piezoresponse Force Microscopy. Analysis of 1500 switching events reveals that domain wall displacement depends not only on field parameters but also on the local ferroelectric-ferroelastic configuration. For example, twin boundaries in polydomains regions like a$_1^-$/$c^+$ $\parallel$ a$_2^-$/$c^-$ stay pinned up to a certain level of bias magnitude and change only marginally as the bias increases from 20V to 30V, whereas single variant boundaries like a$_2^+$/$c^+$ $\parallel$ a$_2^-$/$c^-$ stack are already activated at 20V. These statistics on the possible ferroelectric and ferroelastic wall orientations, together with the automated, high-throughput AFM workflow, can be distilled into a predictive map that links domain configurations to pulse parameters. This microstructure-specific rule set forms the foundation for designing ferroelectric memories.