Daily Papers

The convergence of Information Technology and Operational Technology has exposed Industrial Control Systems (ICS) to multi-stage cyberattacks that traverse software, network, and physical process layers simultaneously. Although Provenance-based Intrusion Detection Systems (PIDS) are effective in Information Technology (IT) environments, their applicability to Industrial Cyber-Physical Systems (CPS) remains largely unexplored because of the absence of datasets that jointly capture host-level causal behavior, industrial network semantics, and physical process state. To address this gap, we design an open-source, Hardware-in-the-Loop (HIL) CPS testbed that replicates an industrial chemical reactor control architecture across the Purdue model layers. Using this testbed, we propose ProvICS, a multimodal provenance dataset purpose-built for CPS intrusion detection, which synchronously captures four streams: whole-system provenance graphs from the supervisory host and the resource-constrained PLC, decoded Modbus deep-packet inspection records, and physical process telemetry. The collection comprises a 48-hour benign phase and a 22-hour attack phase across four campaigns covering 20 ICS ATT&CK techniques over 32 attack events, ranging from reconnaissance to physical process manipulation. Comparative analysis shows that ProvICS is among the few existing ICS/CPS benchmarks with multi-host kernel-level provenance, real PLC hardware-in-the-loop execution, decoded Modbus traffic, physical process-state measurements, and auxiliary raw PCAP traces in a time-synchronized collection. Baseline detection further confirms that cross-modal fusion can detect all 32 labeled attack events (F1 = 0.913, false-positive rate (FPR) = 1.40%), demonstrating the dataset's ability to expose complementary attack signals across modalities and addressing a gap not covered by prior benchmarks.

Layer-wise distillation is a powerful tool to compress large models (i.e. teacher models) into small ones (i.e., student models). The student distills knowledge from the teacher by mimicking the hidden representations of the teacher at every intermediate layer. However, layer-wise distillation is difficult. Since the student has a smaller model capacity than the teacher, it is often under-fitted. Furthermore, the hidden representations of the teacher contain redundant information that the student does not necessarily need for the target task's learning. To address these challenges, we propose a novel Task-aware layEr-wise Distillation (TED). TED designs task-aware filters to align the hidden representations of the student and the teacher at each layer. The filters select the knowledge that is useful for the target task from the hidden representations. As such, TED reduces the knowledge gap between the two models and helps the student to fit better on the target task. We evaluate TED in two scenarios: continual pre-training and fine-tuning. TED demonstrates significant and consistent improvements over existing distillation methods in both scenarios. Code is available at https://github.com/cliang1453/task-aware-distillation.

Models using structured state space sequence (S4) layers have achieved state-of-the-art performance on long-range sequence modeling tasks. An S4 layer combines linear state space models (SSMs), the HiPPO framework, and deep learning to achieve high performance. We build on the design of the S4 layer and introduce a new state space layer, the S5 layer. Whereas an S4 layer uses many independent single-input, single-output SSMs, the S5 layer uses one multi-input, multi-output SSM. We establish a connection between S5 and S4, and use this to develop the initialization and parameterization used by the S5 model. The result is a state space layer that can leverage efficient and widely implemented parallel scans, allowing S5 to match the computational efficiency of S4, while also achieving state-of-the-art performance on several long-range sequence modeling tasks. S5 averages 87.4% on the long range arena benchmark, and 98.5% on the most difficult Path-X task.

Simulating physics using Graph Neural Networks (GNNs) is predominantly driven by message-passing architectures, which face challenges in scaling and efficiency, particularly in handling large, complex meshes. These architectures have inspired numerous enhancements, including multigrid approaches and K-hop aggregation (using neighbours of distance K), yet they often introduce significant complexity and suffer from limited in-depth investigations. In response to these challenges, we propose a novel Graph Transformer architecture that leverages the adjacency matrix as an attention mask. The proposed approach incorporates innovative augmentations, including Dilated Sliding Windows and Global Attention, to extend receptive fields without sacrificing computational efficiency. Through extensive experimentation, we evaluate model size, adjacency matrix augmentations, positional encoding and K-hop configurations using challenging 3D computational fluid dynamics (CFD) datasets. We also train over 60 models to find a scaling law between training FLOPs and parameters. The introduced models demonstrate remarkable scalability, performing on meshes with up to 300k nodes and 3 million edges. Notably, the smallest model achieves parity with MeshGraphNet while being 7times faster and 6times smaller. The largest model surpasses the previous state-of-the-art by 38.8\% on average and outperforms MeshGraphNet by 52\% on the all-rollout RMSE, while having a similar training speed. Code and datasets are available at https://github.com/DonsetPG/graph-physics.

Software engineering (SE) activities have been revolutionized by the advent of pre-trained models (PTMs), defined as large machine learning (ML) models that can be fine-tuned to perform specific SE tasks. However, users with limited expertise may need help to select the appropriate model for their current task. To tackle the issue, the Hugging Face (HF) platform simplifies the use of PTMs by collecting, storing, and curating several models. Nevertheless, the platform currently lacks a comprehensive categorization of PTMs designed specifically for SE, i.e., the existing tags are more suited to generic ML categories. This paper introduces an approach to address this gap by enabling the automatic classification of PTMs for SE tasks. First, we utilize a public dump of HF to extract PTMs information, including model documentation and associated tags. Then, we employ a semi-automated method to identify SE tasks and their corresponding PTMs from existing literature. The approach involves creating an initial mapping between HF tags and specific SE tasks, using a similarity-based strategy to identify PTMs with relevant tags. The evaluation shows that model cards are informative enough to classify PTMs considering the pipeline tag. Moreover, we provide a mapping between SE tasks and stored PTMs by relying on model names.

Although large language models (LLMs) have achieved remarkable success across various domains, their considerable scale necessitates substantial computational resources, posing significant challenges for deployment in resource-constrained environments. Layer pruning, as a simple yet effective compression method, removes layers of a model directly, reducing computational overhead. However, what are the best practices for layer pruning in LLMs? Are sophisticated layer selection metrics truly effective? Does the LoRA (Low-Rank Approximation) family, widely regarded as a leading method for pruned model fine-tuning, truly meet expectations when applied to post-pruning fine-tuning? To answer these questions, we dedicate thousands of GPU hours to benchmarking layer pruning in LLMs and gaining insights across multiple dimensions. Our results demonstrate that a simple approach, i.e., pruning the final 25\% of layers followed by fine-tuning the lm\_head and the remaining last three layer, yields remarkably strong performance. Following this guide, we prune Llama-3.1-8B-It and obtain a model that outperforms many popular LLMs of similar size, such as ChatGLM2-6B, Vicuna-7B-v1.5, Qwen1.5-7B and Baichuan2-7B. We release the optimal model weights on Huggingface, and the code is available on GitHub.

Large Language Models (LLMs) have seen an impressive wave of advances recently, with models now excelling in a variety of tasks, such as mathematical reasoning and program synthesis. However, their potential to effectively use tools via API calls remains unfulfilled. This is a challenging task even for today's state-of-the-art LLMs such as GPT-4, largely due to their inability to generate accurate input arguments and their tendency to hallucinate the wrong usage of an API call. We release Gorilla, a finetuned LLaMA-based model that surpasses the performance of GPT-4 on writing API calls. When combined with a document retriever, Gorilla demonstrates a strong capability to adapt to test-time document changes, enabling flexible user updates or version changes. It also substantially mitigates the issue of hallucination, commonly encountered when prompting LLMs directly. To evaluate the model's ability, we introduce APIBench, a comprehensive dataset consisting of HuggingFace, TorchHub, and TensorHub APIs. The successful integration of the retrieval system with Gorilla demonstrates the potential for LLMs to use tools more accurately, keep up with frequently updated documentation, and consequently increase the reliability and applicability of their outputs. Gorilla's code, model, data, and demo are available at https://gorilla.cs.berkeley.edu

We introduce a modern Hopfield network with continuous states and a corresponding update rule. The new Hopfield network can store exponentially (with the dimension of the associative space) many patterns, retrieves the pattern with one update, and has exponentially small retrieval errors. It has three types of energy minima (fixed points of the update): (1) global fixed point averaging over all patterns, (2) metastable states averaging over a subset of patterns, and (3) fixed points which store a single pattern. The new update rule is equivalent to the attention mechanism used in transformers. This equivalence enables a characterization of the heads of transformer models. These heads perform in the first layers preferably global averaging and in higher layers partial averaging via metastable states. The new modern Hopfield network can be integrated into deep learning architectures as layers to allow the storage of and access to raw input data, intermediate results, or learned prototypes. These Hopfield layers enable new ways of deep learning, beyond fully-connected, convolutional, or recurrent networks, and provide pooling, memory, association, and attention mechanisms. We demonstrate the broad applicability of the Hopfield layers across various domains. Hopfield layers improved state-of-the-art on three out of four considered multiple instance learning problems as well as on immune repertoire classification with several hundreds of thousands of instances. On the UCI benchmark collections of small classification tasks, where deep learning methods typically struggle, Hopfield layers yielded a new state-of-the-art when compared to different machine learning methods. Finally, Hopfield layers achieved state-of-the-art on two drug design datasets. The implementation is available at: https://github.com/ml-jku/hopfield-layers

Recent advances in large language models have led to specialized models excelling in specific domains, creating a need for efficient model merging techniques. While traditional merging approaches combine parameters into a single static model, they often compromise task-specific performance. However, task-specific routing methods maintain accuracy but introduce substantial storage overhead. We present 1bit-Merging, a novel framework that integrates task-specific routing with 1-bit quantized task vectors to balance performance and storage efficiency. Our approach leverages the observation that different task-specific models store knowledge in distinct layers-chat models primarily in attention layers and math/code models in MLP layers-enabling targeted compression strategies. Through extensive experiments with LLaMA2 and Mistral model families across chat, mathematical reasoning, and code generation tasks, we demonstrate that 1bit-Merging achieves comparable or superior performance to existing methods while significantly reducing storage requirements. Our framework offers a practical solution for combining specialized models while maintaining their individual strengths and addressing the storage challenges of current approaches.

Xmodel-2 is a 1.2-billion-parameter large language model designed specifically for reasoning tasks. Its architecture enables different model scales to share a unified set of hyperparameters, allowing for extensive experimentation on smaller models and seamless transfer of optimal configurations to larger models. To maximize training efficiency and stability, Xmodel-2 employs the WSD learning rate scheduler from MiniCPM. Pretrained on 1.5 trillion tokens from diverse sources, Xmodel-2 achieves state-of-the-art performance in complex reasoning and agent-based tasks, while maintaining low training costs. These results highlight the potential of efficient model design and training strategies in advancing reasoning capabilities. Model checkpoints and code are publicly available on GitHub at https://github.com/XiaoduoAILab/Xmodel-2

The proliferation of Machine Learning (ML) models and their open-source implementations has transformed Artificial Intelligence research and applications. Platforms like Hugging Face (HF) enable the development, sharing, and deployment of these models, fostering an evolving ecosystem. While previous studies have examined aspects of models hosted on platforms like HF, a comprehensive longitudinal study of how these models change remains underexplored. This study addresses this gap by utilizing both repository mining and longitudinal analysis methods to examine over 200,000 commits and 1,200 releases from over 50,000 models on HF. We replicate and extend an ML change taxonomy for classifying commits and utilize Bayesian networks to uncover patterns in commit and release activities over time. Our findings indicate that commit activities align with established data science methodologies, such as CRISP-DM, emphasizing iterative refinement and continuous improvement. Additionally, release patterns tend to consolidate significant updates, particularly in documentation, distinguishing between granular changes and milestone-based releases. Furthermore, projects with higher popularity prioritize infrastructure enhancements early in their lifecycle, and those with intensive collaboration practices exhibit improved documentation standards. These and other insights enhance the understanding of model changes on community platforms and provide valuable guidance for best practices in model maintenance.

As there are now millions of publicly available neural networks, searching and analyzing large model repositories becomes increasingly important. Navigating so many models requires an atlas, but as most models are poorly documented charting such an atlas is challenging. To explore the hidden potential of model repositories, we chart a preliminary atlas representing the documented fraction of Hugging Face. It provides stunning visualizations of the model landscape and evolution. We demonstrate several applications of this atlas including predicting model attributes (e.g., accuracy), and analyzing trends in computer vision models. However, as the current atlas remains incomplete, we propose a method for charting undocumented regions. Specifically, we identify high-confidence structural priors based on dominant real-world model training practices. Leveraging these priors, our approach enables accurate mapping of previously undocumented areas of the atlas. We publicly release our datasets, code, and interactive atlas.

Large Language Models (LLMs) are increasingly deployed in mission-critical systems, facilitating tasks such as satellite operations, command-and-control, military decision support, and cyber defense. Many of these systems are accessed through application programming interfaces (APIs). When such APIs lack robust access controls, they can expose full or top-k logits, creating a significant and often overlooked attack surface. Prior art has mainly focused on reconstructing the output projection layer or distilling surface-level behaviors. However, regenerating a black-box model under tight query constraints remains underexplored. We address that gap by introducing a constrained replication pipeline that transforms partial logit leakage into a functional deployable substitute model clone. Our two-stage approach (i) reconstructs the output projection matrix by collecting top-k logits from under 10k black-box queries via singular value decomposition (SVD) over the logits, then (ii) distills the remaining architecture into compact student models with varying transformer depths, trained on an open source dataset. A 6-layer student recreates 97.6% of the 6-layer teacher model's hidden-state geometry, with only a 7.31% perplexity increase, and a 7.58 Negative Log-Likelihood (NLL). A 4-layer variant achieves 17.1% faster inference and 18.1% parameter reduction with comparable performance. The entire attack completes in under 24 graphics processing unit (GPU) hours and avoids triggering API rate-limit defenses. These results demonstrate how quickly a cost-limited adversary can clone an LLM, underscoring the urgent need for hardened inference APIs and secure on-premise defense deployments.

This paper introduces a novel surrogate modeling framework for aerodynamic applications based on Neural Fields. The proposed approach, MARIO (Modulated Aerodynamic Resolution Invariant Operator), addresses non parametric geometric variability through an efficient shape encoding mechanism and exploits the discretization-invariant nature of Neural Fields. It enables training on significantly downsampled meshes, while maintaining consistent accuracy during full-resolution inference. These properties allow for efficient modeling of diverse flow conditions, while reducing computational cost and memory requirements compared to traditional CFD solvers and existing surrogate methods. The framework is validated on two complementary datasets that reflect industrial constraints. First, the AirfRANS dataset consists in a two-dimensional airfoil benchmark with non-parametric shape variations. Performance evaluation of MARIO on this case demonstrates an order of magnitude improvement in prediction accuracy over existing methods across velocity, pressure, and turbulent viscosity fields, while accurately capturing boundary layer phenomena and aerodynamic coefficients. Second, the NASA Common Research Model features three-dimensional pressure distributions on a full aircraft surface mesh, with parametric control surface deflections. This configuration confirms MARIO's accuracy and scalability. Benchmarking against state-of-the-art methods demonstrates that Neural Field surrogates can provide rapid and accurate aerodynamic predictions under the computational and data limitations characteristic of industrial applications.

The reproducibility and transparency of large language models are crucial for advancing open research, ensuring the trustworthiness of results, and enabling investigations into data and model biases, as well as potential risks. To this end, we release OpenELM, a state-of-the-art open language model. OpenELM uses a layer-wise scaling strategy to efficiently allocate parameters within each layer of the transformer model, leading to enhanced accuracy. For example, with a parameter budget of approximately one billion parameters, OpenELM exhibits a 2.36% improvement in accuracy compared to OLMo while requiring 2times fewer pre-training tokens. Diverging from prior practices that only provide model weights and inference code, and pre-train on private datasets, our release includes the complete framework for training and evaluation of the language model on publicly available datasets, including training logs, multiple checkpoints, and pre-training configurations. We also release code to convert models to MLX library for inference and fine-tuning on Apple devices. This comprehensive release aims to empower and strengthen the open research community, paving the way for future open research endeavors. Our source code along with pre-trained model weights and training recipes is available at https://github.com/apple/corenet. Additionally, \model models can be found on HuggingFace at: https://huggingface.co/apple/OpenELM.

Implicit models separate the definition of a layer from the description of its solution process. While implicit layers allow features such as depth to adapt to new scenarios and inputs automatically, this adaptivity makes its computational expense challenging to predict. In this manuscript, we increase the "implicitness" of the DEQ by redefining the method in terms of an infinite time neural ODE, which paradoxically decreases the training cost over a standard neural ODE by 2-4x. Additionally, we address the question: is there a way to simultaneously achieve the robustness of implicit layers while allowing the reduced computational expense of an explicit layer? To solve this, we develop Skip and Skip Reg. DEQ, an implicit-explicit (IMEX) layer that simultaneously trains an explicit prediction followed by an implicit correction. We show that training this explicit predictor is free and even decreases the training time by 1.11-3.19x. Together, this manuscript shows how bridging the dichotomy of implicit and explicit deep learning can combine the advantages of both techniques.

Pre-trained models (PTMs) are machine learning models that have been trained in advance, often on large-scale data, and can be reused for new tasks, thereby reducing the need for costly training from scratch. Their widespread adoption introduces a new class of software dependency, which we term Software Dependencies 2.0, extending beyond conventional libraries to learned behaviors embodied in trained models and their associated artifacts. The integration of PTMs as software dependencies in real projects remains unclear, potentially threatening maintainability and reliability of modern software systems that increasingly rely on them. Objective: In this study, we investigate Software Dependencies 2.0 in open-source software (OSS) projects by examining the reuse of PTMs, with a focus on how developers manage and integrate these models. Specifically, we seek to understand: (1) how OSS projects structure and document their PTM dependencies; (2) what stages and organizational patterns emerge in the reuse pipelines of PTMs within these projects; and (3) the interactions among PTMs and other learned components across pipeline stages. We conduct a mixed-methods analysis of a statistically significant random sample of 401 GitHub repositories from the PeaTMOSS dataset (28,575 repositories reusing PTMs from Hugging Face and PyTorch Hub). We quantitatively examine PTM reuse by identifying patterns and qualitatively investigate how developers integrate and manage these models in practice.

The ubiquity of large-scale Pre-Trained Models (PTMs) is on the rise, sparking interest in model hubs, and dedicated platforms for hosting PTMs. Despite this trend, a comprehensive exploration of the challenges that users encounter and how the community leverages PTMs remains lacking. To address this gap, we conducted an extensive mixed-methods empirical study by focusing on discussion forums and the model hub of HuggingFace, the largest public model hub. Based on our qualitative analysis, we present a taxonomy of the challenges and benefits associated with PTM reuse within this community. We then conduct a quantitative study to track model-type trends and model documentation evolution over time. Our findings highlight prevalent challenges such as limited guidance for beginner users, struggles with model output comprehensibility in training or inference, and a lack of model understanding. We also identified interesting trends among models where some models maintain high upload rates despite a decline in topics related to them. Additionally, we found that despite the introduction of model documentation tools, its quantity has not increased over time, leading to difficulties in model comprehension and selection among users. Our study sheds light on new challenges in reusing PTMs that were not reported before and we provide recommendations for various stakeholders involved in PTM reuse.

Large Language Models (LLMs) possess outstanding capabilities in addressing various natural language processing (NLP) tasks. However, the sheer size of these models poses challenges in terms of storage, training and inference due to the inclusion of billions of parameters through layer stacking. While traditional approaches such as model pruning or distillation offer ways for reducing model size, they often come at the expense of performance retention. In our investigation, we systematically explore the approach of reducing the number of layers in LLMs. Surprisingly, we observe that even with fewer layers, LLMs maintain similar or better performance levels, particularly in prompt-based fine-tuning for text classification tasks. Remarkably, in certain cases, models with a single layer outperform their fully layered counterparts. These findings offer valuable insights for future work aimed at mitigating the size constraints of LLMs while preserving their performance, thereby opening avenues for significantly more efficient use of LLMs.

Memory layers use a trainable key-value lookup mechanism to add extra parameters to a model without increasing FLOPs. Conceptually, sparsely activated memory layers complement compute-heavy dense feed-forward layers, providing dedicated capacity to store and retrieve information cheaply. This work takes memory layers beyond proof-of-concept, proving their utility at contemporary scale. On downstream tasks, language models augmented with our improved memory layer outperform dense models with more than twice the computation budget, as well as mixture-of-expert models when matched for both compute and parameters. We find gains are especially pronounced for factual tasks. We provide a fully parallelizable memory layer implementation, demonstrating scaling laws with up to 128B memory parameters, pretrained to 1 trillion tokens, comparing to base models with up to 8B parameters.

The rapid progress of Transformers in artificial intelligence has come at the cost of increased resource consumption and greenhouse gas emissions due to growing model sizes. Prior work suggests using pretrained small models to improve training efficiency, but this approach may not be suitable for new model structures. On the other hand, training from scratch can be slow, and progressively stacking layers often fails to achieve significant acceleration. To address these challenges, we propose a novel method called Apollo, which prepares lessons for expanding operations by learning high-layer functionality during training of low layers. Our approach involves low-value-prioritized sampling (LVPS) to train different depths and weight sharing to facilitate efficient expansion. We also introduce an interpolation method for stable model depth extension. Experiments demonstrate that Apollo achieves state-of-the-art acceleration ratios, even rivaling methods using pretrained models, making it a universal and efficient solution for training deep models while reducing time, financial, and environmental costs.

Mixture-of-Experts (MoE) layers have emerged as an important tool in scaling up modern neural networks by decoupling total trainable parameters from activated parameters in the forward pass for each token. However, sparse MoEs add complexity to training due to (i) new trainable parameters (router weights) that, like all other parameter groups, require hyperparameter (HP) tuning; (ii) new architecture scale dimensions (number of and size of experts) that must be chosen and potentially taken large. To make HP selection cheap and reliable, we propose a new parameterization for transformer models with MoE layers when scaling model width, depth, number of experts, and expert (hidden) size. Our parameterization is justified by a novel dynamical mean-field theory (DMFT) analysis. When varying different model dimensions trained at a fixed token budget, we find empirically that our parameterization enables reliable HP transfer across models from 51M to over 2B total parameters. We further take HPs identified from sweeping small models on a short token horizon to train larger models on longer horizons and report performant model behaviors.

This paper presents a methodology to learn surrogate models of steady state fluid dynamics simulations on meshed domains, based on Implicit Neural Representations (INRs). The proposed models can be applied directly to unstructured domains for different flow conditions, handle non-parametric 3D geometric variations, and generalize to unseen shapes at test time. The coordinate-based formulation naturally leads to robustness with respect to discretization, allowing an excellent trade-off between computational cost (memory footprint and training time) and accuracy. The method is demonstrated on two industrially relevant applications: a RANS dataset of the two-dimensional compressible flow over a transonic airfoil and a dataset of the surface pressure distribution over 3D wings, including shape, inflow condition, and control surface deflection variations. On the considered test cases, our approach achieves a more than three times lower test error and significantly improves generalization error on unseen geometries compared to state-of-the-art Graph Neural Network architectures. Remarkably, the method can perform inference five order of magnitude faster than the high fidelity solver on the RANS transonic airfoil dataset. Code is available at https://gitlab.isae-supaero.fr/gi.catalani/aero-nepf

Large language models (LLMs) are known to hallucinate, a phenomenon often linked to creativity. While previous research has primarily explored this connection through theoretical or qualitative lenses, our work takes a quantitative approach to systematically examine the relationship between hallucination and creativity in LLMs. Given the complex nature of creativity, we propose a narrow definition tailored to LLMs and introduce an evaluation framework, HCL, which quantifies Hallucination and Creativity across different Layers of LLMs during decoding. Our empirical analysis reveals a tradeoff between hallucination and creativity that is consistent across layer depth, model type, and model size. Notably, across different model architectures, we identify a specific layer at each model size that optimally balances this tradeoff. Additionally, the optimal layer tends to appear in the early layers of larger models, and the confidence of the model is also significantly higher at this layer. These findings provide a quantitative perspective that offers new insights into the interplay between LLM creativity and hallucination. The code and data for our experiments are available at https://github.com/ZicongHe2002/HCL-Spark.

Learning radiance fields (NeRF) with powerful 2D diffusion models has garnered popularity for text-to-3D generation. Nevertheless, the implicit 3D representations of NeRF lack explicit modeling of meshes and textures over surfaces, and such surface-undefined way may suffer from the issues, e.g., noisy surfaces with ambiguous texture details or cross-view inconsistency. To alleviate this, we present DreamMesh, a novel text-to-3D architecture that pivots on well-defined surfaces (triangle meshes) to generate high-fidelity explicit 3D model. Technically, DreamMesh capitalizes on a distinctive coarse-to-fine scheme. In the coarse stage, the mesh is first deformed by text-guided Jacobians and then DreamMesh textures the mesh with an interlaced use of 2D diffusion models in a tuning free manner from multiple viewpoints. In the fine stage, DreamMesh jointly manipulates the mesh and refines the texture map, leading to high-quality triangle meshes with high-fidelity textured materials. Extensive experiments demonstrate that DreamMesh significantly outperforms state-of-the-art text-to-3D methods in faithfully generating 3D content with richer textual details and enhanced geometry. Our project page is available at https://dreammesh.github.io.

The proliferation of open Pre-trained Language Models (PTLMs) on model registry platforms like Hugging Face (HF) presents both opportunities and challenges for companies building products around them. Similar to traditional software dependencies, PTLMs continue to evolve after a release. However, the current state of release practices of PTLMs on model registry platforms are plagued by a variety of inconsistencies, such as ambiguous naming conventions and inaccessible model training documentation. Given the knowledge gap on current PTLM release practices, our empirical study uses a mixed-methods approach to analyze the releases of 52,227 PTLMs on the most well-known model registry, HF. Our results reveal 148 different naming practices for PTLM releases, with 40.87% of changes to model weight files not represented in the adopted name-based versioning practice or their documentation. In addition, we identified that the 52,227 PTLMs are derived from only 299 different base models (the modified original models used to create 52,227 PTLMs), with Fine-tuning and Quantization being the most prevalent modification methods applied to these base models. Significant gaps in release transparency, in terms of training dataset specifications and model card availability, still exist, highlighting the need for standardized documentation. While we identified a model naming practice explicitly differentiating between major and minor PTLM releases, we did not find any significant difference in the types of changes that went into either type of releases, suggesting that major/minor version numbers for PTLMs often are chosen arbitrarily. Our findings provide valuable insights to improve PTLM release practices, nudging the field towards more formal semantic versioning practices.

The number of publicly available models is rapidly increasing, yet most remain undocumented. Users looking for suitable models for their tasks must first determine what each model does. Training machine learning models to infer missing documentation directly from model weights is challenging, as these weights often contain significant variation unrelated to model functionality (denoted nuisance). Here, we identify a key property of real-world models: most public models belong to a small set of Model Trees, where all models within a tree are fine-tuned from a common ancestor (e.g., a foundation model). Importantly, we find that within each tree there is less nuisance variation between models. Concretely, while learning across Model Trees requires complex architectures, even a linear classifier trained on a single model layer often works within trees. While effective, these linear classifiers are computationally expensive, especially when dealing with larger models that have many parameters. To address this, we introduce Probing Experts (ProbeX), a theoretically motivated and lightweight method. Notably, ProbeX is the first probing method specifically designed to learn from the weights of a single hidden model layer. We demonstrate the effectiveness of ProbeX by predicting the categories in a model's training dataset based only on its weights. Excitingly, ProbeX can map the weights of Stable Diffusion into a weight-language embedding space, enabling model search via text, i.e., zero-shot model classification.

Large language models (LLMs) can solve complex multi-step problems, but little is known about how these computations are implemented internally. Motivated by this, we study how LLMs answer multi-hop queries such as "The spouse of the performer of Imagine is". These queries require two information extraction steps: a latent one for resolving the first hop ("the performer of Imagine") into the bridge entity (John Lennon), and one for resolving the second hop ("the spouse of John Lennon") into the target entity (Yoko Ono). Understanding how the latent step is computed internally is key to understanding the overall computation. By carefully analyzing the internal computations of transformer-based LLMs, we discover that the bridge entity is resolved in the early layers of the model. Then, only after this resolution, the two-hop query is solved in the later layers. Because the second hop commences in later layers, there could be cases where these layers no longer encode the necessary knowledge for correctly predicting the answer. Motivated by this, we propose a novel "back-patching" analysis method whereby a hidden representation from a later layer is patched back to an earlier layer. We find that in up to 57% of previously incorrect cases there exists a back-patch that results in the correct generation of the answer, showing that the later layers indeed sometimes lack the needed functionality. Overall our methods and findings open further opportunities for understanding and improving latent reasoning in transformer-based LLMs.

Modern LLMs are increasingly deep, and depth correlates with performance, albeit with diminishing returns. However, do these models use their depth efficiently? Do they compose more features to create higher-order computations that are impossible in shallow models, or do they merely spread the same kinds of computation out over more layers? To address these questions, we analyze the residual stream of the Llama 3.1 and Qwen 3 family of models. We find: First, comparing the output of the sublayers to the residual stream reveals that layers in the second half contribute much less than those in the first half, with a clear phase transition between the two halves. Second, skipping layers in the second half has a much smaller effect on future computations and output predictions. Third, for multihop tasks, we are unable to find evidence that models are using increased depth to compose subresults in examples involving many hops. Fourth, we seek to directly address whether deeper models are using their additional layers to perform new kinds of computation. To do this, we train linear maps from the residual stream of a shallow model to a deeper one. We find that layers with the same relative depth map best to each other, suggesting that the larger model simply spreads the same computations out over its many layers. All this evidence suggests that deeper models are not using their depth to learn new kinds of computation, but only using the greater depth to perform more fine-grained adjustments to the residual. This may help explain why increasing scale leads to diminishing returns for stacked Transformer architectures.

Accurate and efficient detector simulation is essential for modern collider experiments. To reduce the high computational cost, various fast machine learning surrogate models have been proposed. Traditional surrogate models for calorimeter shower modeling train separate networks for each particle species, limiting scalability and reuse. We introduce AllShowers, a unified generative model that simulates calorimeter showers across multiple particle types using a single generative model. AllShowers is a continuous normalizing flow model with a Transformer architecture, enabling it to generate complex spatial and energy correlations in variable-length point cloud representations of showers. Trained on a diverse dataset of simulated showers in the highly granular ILD detector, the model demonstrates the ability to generate realistic showers for electrons, photons, and charged and neutral hadrons across a wide range of incident energies and angles without retraining. In addition to unifying shower generation for multiple particle types, AllShowers surpasses the fidelity of previous single-particle-type models for hadronic showers. Key innovations include the use of a layer embedding, allowing the model to learn all relevant calorimeter layer properties; a custom attention masking scheme to reduce computational demands and introduce a helpful inductive bias; and a shower- and layer-wise optimal transport mapping to improve training convergence and sample quality. AllShowers marks a significant step towards a universal model for calorimeter shower simulations in collider experiments.

The advancement of Large Language Models (LLMs) for domain applications in fields such as materials science and engineering depends on the development of fine-tuning strategies that adapt models for specialized, technical capabilities. In this work, we explore the effects of Continued Pretraining (CPT), Supervised Fine-Tuning (SFT), and various preference-based optimization approaches, including Direct Preference Optimization (DPO) and Odds Ratio Preference Optimization (ORPO), on fine-tuned LLM performance. Our analysis shows how these strategies influence model outcomes and reveals that the merging of multiple fine-tuned models can lead to the emergence of capabilities that surpass the individual contributions of the parent models. We find that model merging leads to new functionalities that neither parent model could achieve alone, leading to improved performance in domain-specific assessments. Experiments with different model architectures are presented, including Llama 3.1 8B and Mistral 7B models, where similar behaviors are observed. Exploring whether the results hold also for much smaller models, we use a tiny LLM with 1.7 billion parameters and show that very small LLMs do not necessarily feature emergent capabilities under model merging, suggesting that model scaling may be a key component. In open-ended yet consistent chat conversations between a human and AI models, our assessment reveals detailed insights into how different model variants perform and show that the smallest model achieves a high intelligence score across key criteria including reasoning depth, creativity, clarity, and quantitative precision. Other experiments include the development of image generation prompts based on disparate biological material design concepts, to create new microstructures, architectural concepts, and urban design based on biological materials-inspired construction principles.

In recent years, language models (LMs), such as GPT-4, have been widely used in multiple domains, including natural language processing, visualization, and so on. However, applying them for analyzing and optimizing high-performance computing (HPC) software is still challenging due to the lack of HPC-specific support. In this paper, we design the LM4HPC framework to facilitate the research and development of HPC software analyses and optimizations using LMs. Tailored for supporting HPC datasets, AI models, and pipelines, our framework is built on top of a range of components from different levels of the machine learning software stack, with Hugging Face-compatible APIs. Using three representative tasks, we evaluated the prototype of our framework. The results show that LM4HPC can help users quickly evaluate a set of state-of-the-art models and generate insightful leaderboards.

Triggered by the realization that AI emulators can rival the performance of traditional numerical weather prediction models running on HPC systems, there is now an increasing number of large AI models that address use cases such as forecasting, downscaling, or nowcasting. While the parallel developments in the AI literature focus on foundation models -- models that can be effectively tuned to address multiple, different use cases -- the developments on the weather and climate side largely focus on single-use cases with particular emphasis on mid-range forecasting. We close this gap by introducing Prithvi WxC, a 2.3 billion parameter foundation model developed using 160 variables from the Modern-Era Retrospective Analysis for Research and Applications, Version 2 (MERRA-2). Prithvi WxC employs an encoder-decoder-based architecture, incorporating concepts from various recent transformer models to effectively capture both regional and global dependencies in the input data. The model has been designed to accommodate large token counts to model weather phenomena in different topologies at fine resolutions. Furthermore, it is trained with a mixed objective that combines the paradigms of masked reconstruction with forecasting. We test the model on a set of challenging downstream tasks namely: Autoregressive rollout forecasting, Downscaling, Gravity wave flux parameterization, and Extreme events estimation. The pretrained model with 2.3 billion parameters, along with the associated fine-tuning workflows, has been publicly released as an open-source contribution via Hugging Face.

In the domain of model-based engineering, models are essential components that enable system design and analysis. Traditionally, the creation of these models has been a manual process requiring not only deep modeling expertise but also substantial domain knowledge of target systems. With the rapid advancement of generative artificial intelligence, large language models (LLMs) show potential for automating model generation. This work explores the generation of instance models using LLMs, focusing specifically on producing XMI-based instance models from Ecore metamodels and natural language specifications. We observe that current LLMs struggle to directly generate valid XMI models. To address this, we propose a two-step approach: first, using LLMs to produce a simplified structured output containing all necessary instance model information, namely a conceptual instance model, and then compiling this intermediate representation into a valid XMI file. The conceptual instance model is format-independent, allowing it to be transformed into various modeling formats via different compilers. The feasibility of the proposed method has been demonstrated using several LLMs, including GPT-4o, o1-preview, Llama 3.1 (8B and 70B). Results show that the proposed method significantly improves the usability of LLMs for instance model generation tasks. Notably, the smaller open-source model, Llama 3.1 70B, demonstrated performance comparable to proprietary GPT models within the proposed framework.

The rapid expansion of the open-source language model landscape presents an opportunity to merge the competencies of these model checkpoints by combining their parameters. Advances in transfer learning, the process of fine-tuning pretrained models for specific tasks, has resulted in the development of vast amounts of task-specific models, typically specialized in individual tasks and unable to utilize each other's strengths. Model merging facilitates the creation of multitask models without the need for additional training, offering a promising avenue for enhancing model performance and versatility. By preserving the intrinsic capabilities of the original models, model merging addresses complex challenges in AI - including the difficulties of catastrophic forgetting and multitask learning. To support this expanding area of research, we introduce MergeKit, a comprehensive, open-source library designed to facilitate the application of model merging strategies. MergeKit offers an extensible framework to efficiently merge models on any hardware, providing utility to researchers and practitioners. To date, thousands of models have been merged by the open-source community, leading to the creation of some of the worlds most powerful open-source model checkpoints, as assessed by the Open LLM Leaderboard. The library is accessible at https://github.com/arcee-ai/MergeKit.

Foundation models, or large atomistic models (LAMs), aim to universally represent the ground-state potential energy surface (PES) of atomistic systems as defined by density functional theory (DFT). The scaling law is pivotal in the development of large models, suggesting that their generalizability in downstream tasks consistently improves with increased model size, expanded training datasets, and larger computational budgets. In this study, we present DPA3, a multi-layer graph neural network founded on line graph series (LiGS), designed explicitly for the era of LAMs. We demonstrate that the generalization error of the DPA3 model adheres to the scaling law. The scalability in the number of model parameters is attained by stacking additional layers within DPA3. Additionally, the model employs a dataset encoding mechanism that decouples the scaling of training data size from the model size within its multi-task training framework. When trained as problem-oriented potential energy models, the DPA3 model exhibits superior accuracy in the majority of benchmark cases, encompassing systems with diverse features, including molecules, bulk materials, surface and cluster catalysts, two-dimensional materials, and battery materials. When trained as a LAM on the OpenLAM-v1 dataset, the DPA-3.1-3M model exhibits state-of-the-art performance in the LAMBench benchmark suite for LAMs, demonstrating lowest overall zero-shot generalization error across 17 downstream tasks from a broad spectrum of research domains. This performance suggests superior accuracy as an out-of-the-box potential model, requiring minimal fine-tuning data for downstream scientific applications.

We study compute efficiency of LLM training when using different parameterizations, i.e., rules for adjusting model and optimizer hyperparameters (HPs) as model size changes. Some parameterizations fail to transfer optimal base HPs (such as learning rate) across changes in model depth, requiring practitioners to either re-tune these HPs as they scale up (expensive), or accept sub-optimal training when re-tuning is prohibitive. Even when they achieve HP transfer, we develop theory to show parameterizations may still exist in the lazy learning regime where layers learn only features close to their linearization, preventing effective use of depth and nonlinearity. Finally, we identify and adopt the parameterization we call CompleteP that achieves both depth-wise HP transfer and non-lazy learning in all layers. CompleteP enables a wider range of model width/depth ratios to remain compute-efficient, unlocking shapes better suited for different hardware settings and operational contexts. Moreover, CompleteP enables 12-34% compute efficiency improvements over the prior state-of-the-art.

Mimicking realistic dynamics in 3D garment animations is a challenging task due to the complex nature of multi-layered garments and the variety of outer forces involved. Existing approaches mostly focus on single-layered garments driven by only human bodies and struggle to handle general scenarios. In this paper, we propose a novel data-driven method, called LayersNet, to model garment-level animations as particle-wise interactions in a micro physics system. We improve simulation efficiency by representing garments as patch-level particles in a two-level structural hierarchy. Moreover, we introduce a novel Rotation Equivalent Transformation that leverages the rotation invariance and additivity of physics systems to better model outer forces. To verify the effectiveness of our approach and bridge the gap between experimental environments and real-world scenarios, we introduce a new challenging dataset, D-LAYERS, containing 700K frames of dynamics of 4,900 different combinations of multi-layered garments driven by both human bodies and randomly sampled wind. Our experiments show that LayersNet achieves superior performance both quantitatively and qualitatively. We will make the dataset and code publicly available at https://mmlab-ntu.github.io/project/layersnet/index.html .

Mesh-based simulations are central to modeling complex physical systems in many disciplines across science and engineering. Mesh representations support powerful numerical integration methods and their resolution can be adapted to strike favorable trade-offs between accuracy and efficiency. However, high-dimensional scientific simulations are very expensive to run, and solvers and parameters must often be tuned individually to each system studied. Here we introduce MeshGraphNets, a framework for learning mesh-based simulations using graph neural networks. Our model can be trained to pass messages on a mesh graph and to adapt the mesh discretization during forward simulation. Our results show it can accurately predict the dynamics of a wide range of physical systems, including aerodynamics, structural mechanics, and cloth. The model's adaptivity supports learning resolution-independent dynamics and can scale to more complex state spaces at test time. Our method is also highly efficient, running 1-2 orders of magnitude faster than the simulation on which it is trained. Our approach broadens the range of problems on which neural network simulators can operate and promises to improve the efficiency of complex, scientific modeling tasks.

Large language models (LLMs) have shown remarkable capabilities in language understanding and generation. However, such impressive capability typically comes with a substantial model size, which presents significant challenges in deployment and inference. While structured pruning of model parameters offers a promising way to reduce computational costs at deployment time, current methods primarily focus on single model pruning. In this work, we develop a novel strategy to compress models by strategically combining or merging layers from finetuned model variants, which preserves the original model's abilities by aggregating capabilities accentuated in different finetunes. We pose the optimal tailoring of these LLMs as a zero-order optimization problem, adopting a search space that supports three different operations: (1) Layer removal, (2) Layer selection from different candidate models, and (3) Layer merging. Our experiments demonstrate that this approach leads to competitive model pruning, for example, for the Llama2-13B model families, our compressed models maintain approximately 97.3\% of the original performance while removing sim25% of parameters, significantly outperforming previous state-of-the-art methods. The code is available at https://github.com/Guinan-Su/auto-merge-llm.

Tool-augmented large language model (LLM) agents promise to unify scientific reasoning with computation, yet their deployment in high-stakes domains like drug discovery is bottlenecked by two critical barriers: unconstrained tool-use governance and poor long-horizon reliability. In dependency-heavy pharmaceutical pipelines, autonomous agents often drift into irreproducible trajectories, where early-stage hallucinations multiplicatively compound into downstream failures. To overcome this, we present Mozi, a dual-layer architecture that bridges the flexibility of generative AI with the deterministic rigor of computational biology. Layer A (Control Plane) establishes a governed supervisor--worker hierarchy that enforces role-based tool isolation, limits execution to constrained action spaces, and drives reflection-based replanning. Layer B (Workflow Plane) operationalizes canonical drug discovery stages -- from Target Identification to Lead Optimization -- as stateful, composable skill graphs. This layer integrates strict data contracts and strategic human-in-the-loop (HITL) checkpoints to safeguard scientific validity at high-uncertainty decision boundaries. Operating on the design principle of ``free-form reasoning for safe tasks, structured execution for long-horizon pipelines,'' Mozi provides built-in robustness mechanisms and trace-level audibility to completely mitigate error accumulation. We evaluate Mozi on PharmaBench, a curated benchmark for biomedical agents, demonstrating superior orchestration accuracy over existing baselines. Furthermore, through end-to-end therapeutic case studies, we demonstrate Mozi's ability to navigate massive chemical spaces, enforce stringent toxicity filters, and generate highly competitive in silico candidates, effectively transforming the LLM from a fragile conversationalist into a reliable, governed co-scientist.

Hybrid model architectures that combine computational primitives (e.g., Attention, MLP) in different ratios have shown promising performance beyond Transformers. Some studies have shown that different interleavings of primitives can affect model quality as well. However, prior works explore the hybrid model architecture design space manually. Due to the large design space and training costs, discovering hybrid models that combine key computational primitives for pre-training is challenging. In this work, we take a principled approach in designing a modular hybrid model architecture search framework -- Composer. Composer explores model architectures at a small scale and extrapolates the top-performing model architectures to a larger scale using our proposed scaling strategies. Using Composer, we discover new hybrid LLM architectures that outperform Llama 3.2. Compared to Llama 3.2 and previous state-of-the-art baselines, the new model architectures consistently reduce validation loss at parameter scales of 350M-3B and improve evaluation accuracy on the downstream tasks by up to 2.8-8.3% (1.1-3.1% on average) while improving both training and inference efficiency.

The introduction of the transformer architecture and the self-attention mechanism has led to an explosive production of language models trained on specific downstream tasks and data domains. With over 200, 000 models in the Hugging Face ecosystem, users grapple with selecting and optimizing models to suit multifaceted workflows and data domains while addressing computational, security, and recency concerns. There is an urgent need for machine learning frameworks that can eliminate the burden of model selection and customization and unleash the incredible power of the vast emerging model library for end users. Here, we propose a context-aware routing system, Tryage, that leverages a language model router for optimal selection of expert models from a model library based on analysis of individual input prompts. Inspired by the thalamic router in the brain, Tryage employs a perceptive router to predict down-stream model performance on prompts and, then, makes a routing decision using an objective function that integrates performance predictions with user goals and constraints that are incorporated through flags (e.g., model size, model recency). Tryage allows users to explore a Pareto front and automatically trade-off between task accuracy and secondary goals including minimization of model size, recency, security, verbosity, and readability. Across heterogeneous data sets that include code, text, clinical data, and patents, the Tryage framework surpasses Gorilla and GPT3.5 turbo in dynamic model selection identifying the optimal model with an accuracy of 50.9% , compared to 23.6% by GPT 3.5 Turbo and 10.8% by Gorilla. Conceptually, Tryage demonstrates how routing models can be applied to program and control the behavior of multi-model LLM systems to maximize efficient use of the expanding and evolving language model ecosystem.

Foundation Models are neural networks that are capable of simultaneously solving many problems. Large Language Foundation Models like ChatGPT have revolutionized many aspects of daily life, but their impact for science is not yet clear. In this paper, we use a new Foundation Model for hadronic jets to solve three key challenges in collider physics. In particular, we show how experiments can (1) save significant computing power when developing reconstruction algorithms, (2) perform a complete uncertainty quantification for high-dimensional measurements, and (3) search for new physics with model agnostic methods using low-level inputs. In each case, there are significant computational or methodological challenges with current methods that limit the science potential of deep learning algorithms. By solving each problem, we take jet Foundation Models beyond proof-of-principle studies and into the toolkit of practitioners.

When using Large Language Models (LLMs) to support Knowledge Graph Engineering (KGE), one of the first indications when searching for an appropriate model is its size. According to the scaling laws, larger models typically show higher capabilities. However, in practice, resource costs are also an important factor and thus it makes sense to consider the ratio between model performance and costs. The LLM-KG-Bench framework enables the comparison of LLMs in the context of KGE tasks and assesses their capabilities of understanding and producing KGs and KG queries. Based on a dataset created in an LLM-KG-Bench run covering 26 open state-of-the-art LLMs, we explore the model size scaling laws specific to KGE tasks. In our analyses, we assess how benchmark scores evolve between different model size categories. Additionally, we inspect how the general score development of single models and families of models correlates to their size. Our analyses revealed that, with a few exceptions, the model size scaling laws generally also apply to the selected KGE tasks. However, in some cases, plateau or ceiling effects occurred, i.e., the task performance did not change much between a model and the next larger model. In these cases, smaller models could be considered to achieve high cost-effectiveness. Regarding models of the same family, sometimes larger models performed worse than smaller models of the same family. These effects occurred only locally. Hence it is advisable to additionally test the next smallest and largest model of the same family.

A prevalent assumption in LLM agent deployment holds that more structured harnesses universally improve reliability, and that higher-capability models need proportionally less structural guidance -- together implying a monotone inverse relationship between model capability tier and optimal harness complexity. We test this hypothesis through a controlled 432-run experiment crossing six models across four capability tiers with three harness conditions (light, balanced, strict) on HEAT-24, a 24-task synthetic benchmark with git-based workspace verification. Our results refute the monotone inverse relationship on two fronts. First, for the frontier chat model evaluated (Gemini 2.5 Flash), increased harness verbosity lowers VTSR by 29-38 percentage points -- a harness-complexity paradox. Second, for the frontier reasoning model evaluated (Qwen3.5-122B, extended thinking enabled), strict harness achieves the highest VTSR (91.7%) and the lowest latency, the opposite of the prediction. Within the constrained tier, a 2B model (Gemma4:e2B) matches strong-open-tier stability at 91.7% across all harnesses. Because each tier is represented by a single model in this study, these results should be interpreted as model-specific observations; harness sensitivity appears non-monotone across the models evaluated, and depends critically on model type (chat vs. reasoning). We introduce a six-label failure taxonomy showing that format_violation dominates capable-model failures while wrong_file dominates low-capability failures, and we derive practical tier-aware harness selection guidelines.

Accurate and efficient simulations of physical phenomena governed by partial differential equations (PDEs) are important for scientific and engineering progress. While traditional numerical solvers are powerful, they are often computationally expensive. Recently, data-driven methods have emerged as alternatives, but they frequently suffer from error accumulation and limited physical consistency, especially in multiphysics and complex geometries. To address these challenges, we propose PEGNet, a Physics-Embedded Graph Network that incorporates PDE-guided message passing to redesign the graph neural network architecture. By embedding key PDE dynamics like convection, viscosity, and diffusion into distinct message functions, the model naturally integrates physical constraints into its forward propagation, producing more stable and physically consistent solutions. Additionally, a hierarchical architecture is employed to capture multi-scale features, and physical regularization is integrated into the loss function to further enforce adherence to governing physics. We evaluated PEGNet on benchmarks, including custom datasets for respiratory airflow and drug delivery, showing significant improvements in long-term prediction accuracy and physical consistency over existing methods. Our code is available at https://github.com/Yanghuoshan/PEGNet.

The scaling of large language models (LLMs) emphasizes increasing depth, yet performance gains diminish with added layers. Prior work introduces the concept of "effective depth", arguing that deeper models fail to fully utilize their layers for meaningful computation. Building on this, we systematically study how effective depth varies with model scale, training type, and task difficulty. First, we analyze the model behavior of Qwen-2.5 family (1.5B-32B) and find that while the number of effective layers grows with model size, the effective depth ratio remains stable. Besides, comparisons between base and corresponding long-CoT models show no increase in effective depth, suggesting that improved reasoning stems from longer context rather than deeper per-token computation. Furthermore, evaluations across tasks of varying difficulty indicate that models do not dynamically use more layers for harder problems. Our results suggest that current LLMs underuse available depth across scales, training paradigms and tasks of varying difficulties, pointing out research opportunities on increasing the layer utilization rate of LLMs, model pruning, and early exiting. Our code is released at https://github.com/AheadOFpotato/what_affects_effective_depth.

Cross-capability transfer is a key challenge in large language model (LLM) research, with applications in multi-task integration, model compression, and continual learning. Recent works like FuseLLM and FuseChat have demonstrated the potential of transferring multiple model capabilities to lightweight models, enhancing adaptability and efficiency, which motivates our investigation into more efficient cross-capability transfer methods. However, existing approaches primarily focus on small, homogeneous models, limiting their applicability. For large, heterogeneous models, knowledge distillation with full-parameter fine-tuning often overlooks the student model's intrinsic capacity and risks catastrophic forgetting, while PEFT methods struggle to effectively absorb knowledge from source LLMs. To address these issues, we introduce GraftLLM, a novel method that stores source model capabilities in a target model with SkillPack format. This approach preserves general capabilities, reduces parameter conflicts, and supports forget-free continual learning and model fusion. We employ a module-aware adaptive compression strategy to compress parameter updates, ensuring efficient storage while maintaining task-specific knowledge. The resulting SkillPack serves as a compact and transferable knowledge carrier, ideal for heterogeneous model fusion and continual learning. Experiments across various scenarios demonstrate that GraftLLM outperforms existing techniques in knowledge transfer, knowledge fusion, and forget-free learning, providing a scalable and efficient solution for cross-capability transfer. The code is publicly available at: https://github.com/duguodong7/GraftLLM.

We present a parsimonious deep learning weather prediction model to forecast seven atmospheric variables with 3-h time resolution for up to one-year lead times on a 110-km global mesh using the Hierarchical Equal Area isoLatitude Pixelization (HEALPix). In comparison to state-of-the-art (SOTA) machine learning (ML) weather forecast models, such as Pangu-Weather and GraphCast, our DLWP-HPX model uses coarser resolution and far fewer prognostic variables. Yet, at one-week lead times, its skill is only about one day behind both SOTA ML forecast models and the SOTA numerical weather prediction model from the European Centre for Medium-Range Weather Forecasts. We report several improvements in model design, including switching from the cubed sphere to the HEALPix mesh, inverting the channel depth of the U-Net, and introducing gated recurrent units (GRU) on each level of the U-Net hierarchy. The consistent east-west orientation of all cells on the HEALPix mesh facilitates the development of location-invariant convolution kernels that successfully propagate weather patterns across the globe without requiring separate kernels for the polar and equatorial faces of the cube sphere. Without any loss of spectral power after the first two days, the model can be unrolled autoregressively for hundreds of steps into the future to generate realistic states of the atmosphere that respect seasonal trends, as showcased in one-year simulations.

Hybrid models that combine the language modeling capabilities of Attention layers with the efficiency of Recurrent layers (e.g., State Space Models) have gained traction in practically supporting long contexts in Large Language Model serving. Yet, the unique properties of these models complicate the usage of complementary efficiency optimizations such as prefix caching that skip redundant computations across requests. Most notably, their use of in-place state updates for recurrent layers precludes rolling back cache entries for partial sequence overlaps, and instead mandates only exact-match cache hits; the effect is a deluge of (large) cache entries per sequence, most of which yield minimal reuse opportunities. We present Marconi, the first system that supports efficient prefix caching with Hybrid LLMs. Key to Marconi are its novel admission and eviction policies that more judiciously assess potential cache entries based not only on recency, but also on (1) forecasts of their reuse likelihood across a taxonomy of different hit scenarios, and (2) the compute savings that hits deliver relative to memory footprints. Across diverse workloads and Hybrid models, Marconi achieves up to 34.4times higher token hit rates (71.1% or 617 ms lower TTFT) compared to state-of-the-art prefix caching systems.

Accurately describing the distribution of CO_2 in the atmosphere with atmospheric tracer transport models is essential for greenhouse gas monitoring and verification support systems to aid implementation of international climate agreements. Large deep neural networks are poised to revolutionize weather prediction, which requires 3D modeling of the atmosphere. While similar in this regard, atmospheric transport modeling is subject to new challenges. Both, stable predictions for longer time horizons and mass conservation throughout need to be achieved, while IO plays a larger role compared to computational costs. In this study we explore four different deep neural networks (UNet, GraphCast, Spherical Fourier Neural Operator and SwinTransformer) which have proven as state-of-the-art in weather prediction to assess their usefulness for atmospheric tracer transport modeling. For this, we assemble the CarbonBench dataset, a systematic benchmark tailored for machine learning emulators of Eulerian atmospheric transport. Through architectural adjustments, we decouple the performance of our emulators from the distribution shift caused by a steady rise in atmospheric CO_2. More specifically, we center CO_2 input fields to zero mean and then use an explicit flux scheme and a mass fixer to assure mass balance. This design enables stable and mass conserving transport for over 6 months with all four neural network architectures. In our study, the SwinTransformer displays particularly strong emulation skill (90-day R^2 > 0.99), with physically plausible emulation even for forward runs of multiple years. This work paves the way forward towards high resolution forward and inverse modeling of inert trace gases with neural networks.

Recently, many mesh-based graph neural network (GNN) models have been proposed for modeling complex high-dimensional physical systems. Remarkable achievements have been made in significantly reducing the solving time compared to traditional numerical solvers. These methods are typically designed to i) reduce the computational cost in solving physical dynamics and/or ii) propose techniques to enhance the solution accuracy in fluid and rigid body dynamics. However, it remains under-explored whether they are effective in addressing the challenges of flexible body dynamics, where instantaneous collisions occur within a very short timeframe. In this paper, we present Hierarchical Contact Mesh Transformer (HCMT), which uses hierarchical mesh structures and can learn long-range dependencies (occurred by collisions) among spatially distant positions of a body -- two close positions in a higher-level mesh correspond to two distant positions in a lower-level mesh. HCMT enables long-range interactions, and the hierarchical mesh structure quickly propagates collision effects to faraway positions. To this end, it consists of a contact mesh Transformer and a hierarchical mesh Transformer (CMT and HMT, respectively). Lastly, we propose a flexible body dynamics dataset, consisting of trajectories that reflect experimental settings frequently used in the display industry for product designs. We also compare the performance of several baselines using well-known benchmark datasets. Our results show that HCMT provides significant performance improvements over existing methods. Our code is available at https://github.com/yuyudeep/hcmt.

We present PDE-Agents, a multi-agent ecosystem that automates the full lifecycle of partial differential equation (PDE) / finite element method (FEM) simulations through natural-language interaction. Three specialist large language model (LLM) agents (Simulation, Analytics, Database) are orchestrated via a LangGraph supervisor, with a local open-source LLM stack (Qwen3-Coder-Next, Llama 4 Scout) on dual NVIDIA RTX PRO 6000 GPUs. The architecture is model-agnostic, validated across two LLM generations. A GraphRAG knowledge base (Neo4j, 768-d vector embeddings) encodes curated material properties, known failure patterns, and prior run lineage. We report seven contributions: (i) a verification and validation (V&V) study confirming second-order spatial convergence (O(h^2)) on the heat-equation solver; (ii) a three-way ablation over 50 tasks with a frozen KG (KG On, KG Off, KG Smart), where KG Smart reaches 100% success and the highest output quality (physics 0.933 vs. 0.853 for KG Off; MPF 0.926 vs. 0.796); (iii) a novel-material experiment with three fictional materials known only to the KG, where KG Smart attains near-perfect material property fidelity (MPF = 1.00) versus 0.34 for the KG-free baseline; (iv) a failure analysis tracing KG On's three failures to budget exhaustion and timeout, establishing warm-start injection as the dominant reliability factor; (v) an adaptive framework selecting the optimal retrieval mode per task; (vi) production metrics from 1,369 runs (97.8% success, 57.6% first-try); and (vii) a 100-task KG growth experiment showing a difficulty-dependent gain, with hard-task MPF improving 8.8% while easy/novel tasks stay at ceiling. All code, models, and evaluation artifacts are released openly. Our findings show that integration pattern, not knowledge content, determines whether GraphRAG augmentation helps or hinders LLM agents.

Recent advances in Neural Fields have enabled powerful, discretization-invariant methods for learning neural operators that approximate solutions of Partial Differential Equations (PDEs) on general geometries. Building on these developments, we introduce enf2enf, an encoder--decoder methodology for predicting steady-state Partial Differential Equations with non-parameterized geometric variability, based on recently proposed Equivariant Neural Field architectures. In enf2enf, input geometries are encoded into latent point cloud embeddings that inherently preserve geometric grounding and capture local phenomena. The resulting representations are then combined with global parameters and directly decoded into continuous output fields, thus efficiently modeling the coupling between geometry and physics. By leveraging the inductive biases of locality and translation invariance, our approach is able to capture fine-scale physical features as well as complex shape variations, thereby enhancing generalization and physical compliance. Extensive experiments on a high-fidelity aerodynamic dataset, a hyper-elastic material benchmark, and multi-element airfoil geometries, demonstrate that the proposed model achieves superior or competitive performance compared to state-of-the-art graph based, operator learning, and neural field methods. Notably, our method supports real time inference and zero-shot super-resolution, enabling efficient training on low-resolution meshes while maintaining high accuracy on full-scale discretizations.

This report describes ARIS (Auto-Research-in-sleep), an open-source research harness for autonomous research, including its architecture, assurance mechanisms, and early deployment experience. The performance of agent systems built on LLMs depends on both the model weights and the harness around them, which governs what information to store, retrieve, and present to the model. For long-horizon research workflows, the central failure mode is not a visible breakdown but a plausible unsupported success: a long-running agent can produce claims whose evidential support is incomplete, misreported, or silently inherited from the executor's framing. Therefore, we present ARIS as a research harness that coordinates machine-learning research workflows through cross-model adversarial collaboration as a default configuration: an executor model drives forward progress while a reviewer from a different model family is recommended to critique intermediate artifacts and request revisions. ARIS has three architectural layers. The execution layer provides more than 65 reusable Markdown-defined skills, model integrations via MCP, a persistent research wiki for iterative reuse of prior findings, and deterministic figure generation. The orchestration layer coordinates five end-to-end workflows with adjustable effort settings and configurable routing to reviewer models. The assurance layer includes a three-stage process for checking whether experimental claims are supported by evidence: integrity verification, result-to-claim mapping, and claim auditing that cross-checks manuscript statements against the claim ledger and raw evidence, as well as a five-pass scientific-editing pipeline, mathematical-proof checks, and visual inspection of the rendered PDF. A prototype self-improvement loop records research traces and proposes harness improvements that are adopted only after reviewer approval.

In conversational AI research, there's a noticeable trend towards developing models with a larger number of parameters, exemplified by models like ChatGPT. While these expansive models tend to generate increasingly better chat responses, they demand significant computational resources and memory. This study explores a pertinent question: Can a combination of smaller models collaboratively achieve comparable or enhanced performance relative to a singular large model? We introduce an approach termed "blending", a straightforward yet effective method of integrating multiple chat AIs. Our empirical evidence suggests that when specific smaller models are synergistically blended, they can potentially outperform or match the capabilities of much larger counterparts. For instance, integrating just three models of moderate size (6B/13B paramaeters) can rival or even surpass the performance metrics of a substantially larger model like ChatGPT (175B+ paramaters). This hypothesis is rigorously tested using A/B testing methodologies with a large user base on the Chai research platform over a span of thirty days. The findings underscore the potential of the "blending" strategy as a viable approach for enhancing chat AI efficacy without a corresponding surge in computational demands.

We present MegaBeam-Mistral-7B, a language model that supports 512K-token context length. Our work addresses practical limitations in long-context training, supporting real-world tasks such as compliance monitoring and verification. Evaluated on three long-context benchmarks, our 7B-parameter model demonstrates superior in-context learning performance on HELMET and robust retrieval and tracing capability on RULER. It is currently the only open model to achieve competitive long-range reasoning on BABILong at 512K context length without RAG or targeted fine-tuning. Released as fully open source under the Apache 2.0 license, the model has been downloaded over 100,000 times on Hugging Face. Model available at: https://huggingface.co/aws-prototyping/MegaBeam-Mistral-7B-512k

We present PyTorch Frame, a PyTorch-based framework for deep learning over multi-modal tabular data. PyTorch Frame makes tabular deep learning easy by providing a PyTorch-based data structure to handle complex tabular data, introducing a model abstraction to enable modular implementation of tabular models, and allowing external foundation models to be incorporated to handle complex columns (e.g., LLMs for text columns). We demonstrate the usefulness of PyTorch Frame by implementing diverse tabular models in a modular way, successfully applying these models to complex multi-modal tabular data, and integrating our framework with PyTorch Geometric, a PyTorch library for Graph Neural Networks (GNNs), to perform end-to-end learning over relational databases.

Graph Neural Networks (GNNs) have gained significant traction for simulating complex physical systems, with models like MeshGraphNet demonstrating strong performance on unstructured simulation meshes. However, these models face several limitations, including scalability issues, requirement for meshing at inference, and challenges in handling long-range interactions. In this work, we introduce X-MeshGraphNet, a scalable, multi-scale extension of MeshGraphNet designed to address these challenges. X-MeshGraphNet overcomes the scalability bottleneck by partitioning large graphs and incorporating halo regions that enable seamless message passing across partitions. This, combined with gradient aggregation, ensures that training across partitions is equivalent to processing the entire graph at once. To remove the dependency on simulation meshes, X-MeshGraphNet constructs custom graphs directly from tessellated geometry files (e.g., STLs) by generating point clouds on the surface or volume of the object and connecting k-nearest neighbors. Additionally, our model builds multi-scale graphs by iteratively combining coarse and fine-resolution point clouds, where each level refines the previous, allowing for efficient long-range interactions. Our experiments demonstrate that X-MeshGraphNet maintains the predictive accuracy of full-graph GNNs while significantly improving scalability and flexibility. This approach eliminates the need for time-consuming mesh generation at inference, offering a practical solution for real-time simulation across a wide range of applications. The code for reproducing the results presented in this paper is available through NVIDIA Modulus.

Lattices are architected metamaterials whose properties strongly depend on their geometrical design. The analogy between lattices and graphs enables the use of graph neural networks (GNNs) as a faster surrogate model compared to traditional methods such as finite element modelling. In this work, we generate a big dataset of structure-property relationships for strut-based lattices. The dataset is made available to the community which can fuel the development of methods anchored in physical principles for the fitting of fourth-order tensors. In addition, we present a higher-order GNN model trained on this dataset. The key features of the model are (i) SE(3) equivariance, and (ii) consistency with the thermodynamic law of conservation of energy. We compare the model to non-equivariant models based on a number of error metrics and demonstrate its benefits in terms of predictive performance and reduced training requirements. Finally, we demonstrate an example application of the model to an architected material design task. The methods which we developed are applicable to fourth-order tensors beyond elasticity such as piezo-optical tensor etc.

Effective approaches that can scale embedding model depth (i.e. layers) and embedding size allow for the creation of models that are highly scalable across different computational resources and task requirements. While the recently proposed 2D Matryoshka training approach can efficiently produce a single embedding model such that its sub-layers and sub-dimensions can measure text similarity, its effectiveness is significantly worse than if smaller models were trained separately. To address this issue, we propose Starbucks, a new training strategy for Matryoshka-like embedding models, which encompasses both the fine-tuning and pre-training phases. For the fine-tuning phase, we discover that, rather than sampling a random sub-layer and sub-dimensions for each training steps, providing a fixed list of layer-dimension pairs, from small size to large sizes, and computing the loss across all pairs significantly improves the effectiveness of 2D Matryoshka embedding models, bringing them on par with their separately trained counterparts. To further enhance performance, we introduce a new pre-training strategy, which applies masked autoencoder language modelling to sub-layers and sub-dimensions during pre-training, resulting in a stronger backbone for subsequent fine-tuning of the embedding model. Experimental results on both semantic text similarity and retrieval benchmarks demonstrate that the proposed pre-training and fine-tuning strategies significantly improved the effectiveness over 2D Matryoshka models, enabling Starbucks models to perform more efficiently and effectively than separately trained models.

When learning simulations for modeling physical phenomena in industrial designs, geometrical variabilities are of prime interest. While classical regression techniques prove effective for parameterized geometries, practical scenarios often involve the absence of shape parametrization during the inference stage, leaving us with only mesh discretizations as available data. Learning simulations from such mesh-based representations poses significant challenges, with recent advances relying heavily on deep graph neural networks to overcome the limitations of conventional machine learning approaches. Despite their promising results, graph neural networks exhibit certain drawbacks, including their dependency on extensive datasets and limitations in providing built-in predictive uncertainties or handling large meshes. In this work, we propose a machine learning method that do not rely on graph neural networks. Complex geometrical shapes and variations with fixed topology are dealt with using well-known mesh morphing onto a common support, combined with classical dimensionality reduction techniques and Gaussian processes. The proposed methodology can easily deal with large meshes without the need for explicit shape parameterization and provides crucial predictive uncertainties, which are essential for informed decision-making. In the considered numerical experiments, the proposed method is competitive with respect to existing graph neural networks, regarding training efficiency and accuracy of the predictions.

We introduce torchNTK, a python library to calculate the empirical neural tangent kernel (NTK) of neural network models in the PyTorch framework. We provide an efficient method to calculate the NTK of multilayer perceptrons. We compare the explicit differentiation implementation against autodifferentiation implementations, which have the benefit of extending the utility of the library to any architecture supported by PyTorch, such as convolutional networks. A feature of the library is that we expose the user to layerwise NTK components, and show that in some regimes a layerwise calculation is more memory efficient. We conduct preliminary experiments to demonstrate use cases for the software and probe the NTK.

As Large Language Models (LLMs) excel across tasks and specialized domains, scaling LLMs based on existing models has garnered significant attention, which faces the challenge of decreasing performance when combining disparate models. Various techniques have been proposed for the aggregation of pre-trained LLMs, including model merging, Mixture-of-Experts, and stacking. Despite their merits, a comprehensive comparison and synergistic application of them to a diverse model zoo is yet to be adequately addressed. In light of this research gap, this paper introduces Model-GLUE, a holistic LLM scaling guideline. First, our work starts with a benchmarking of existing LLM scaling techniques, especially selective merging, and variants of mixture. Utilizing the insights from the benchmark results, we formulate an strategy for the selection and aggregation of a heterogeneous model zoo characterizing different architectures and initialization. Our methodology involves the clustering of mergeable models and optimal merging strategy selection, and the integration of clusters through a model mixture. Finally, evidenced by our experiments on a diverse Llama-2-based model zoo, Model-GLUE shows an average performance enhancement of 5.61%, achieved without additional training. Codes are available at: https://github.com/Model-GLUE/Model-GLUE.

We curate a comprehensive dataset of 4,550 questions and solutions from problem sets, midterm exams, and final exams across all MIT Mathematics and Electrical Engineering and Computer Science (EECS) courses required for obtaining a degree. We evaluate the ability of large language models to fulfill the graduation requirements for any MIT major in Mathematics and EECS. Our results demonstrate that GPT-3.5 successfully solves a third of the entire MIT curriculum, while GPT-4, with prompt engineering, achieves a perfect solve rate on a test set excluding questions based on images. We fine-tune an open-source large language model on this dataset. We employ GPT-4 to automatically grade model responses, providing a detailed performance breakdown by course, question, and answer type. By embedding questions in a low-dimensional space, we explore the relationships between questions, topics, and classes and discover which questions and classes are required for solving other questions and classes through few-shot learning. Our analysis offers valuable insights into course prerequisites and curriculum design, highlighting language models' potential for learning and improving Mathematics and EECS education.

Generating high-quality, multi-layer transparent images from text prompts can unlock a new level of creative control, allowing users to edit each layer as effortlessly as editing text outputs from LLMs. However, the development of multi-layer generative models lags behind that of conventional text-to-image models due to the absence of a large, high-quality corpus of multi-layer transparent data. In this paper, we address this fundamental challenge by: (i) releasing the first open, ultra-high-fidelity PrismLayers (PrismLayersPro) dataset of 200K (20K) multilayer transparent images with accurate alpha mattes, (ii) introducing a trainingfree synthesis pipeline that generates such data on demand using off-the-shelf diffusion models, and (iii) delivering a strong, open-source multi-layer generation model, ART+, which matches the aesthetics of modern text-to-image generation models. The key technical contributions include: LayerFLUX, which excels at generating high-quality single transparent layers with accurate alpha mattes, and MultiLayerFLUX, which composes multiple LayerFLUX outputs into complete images, guided by human-annotated semantic layout. To ensure higher quality, we apply a rigorous filtering stage to remove artifacts and semantic mismatches, followed by human selection. Fine-tuning the state-of-the-art ART model on our synthetic PrismLayersPro yields ART+, which outperforms the original ART in 60% of head-to-head user study comparisons and even matches the visual quality of images generated by the FLUX.1-[dev] model. We anticipate that our work will establish a solid dataset foundation for the multi-layer transparent image generation task, enabling research and applications that require precise, editable, and visually compelling layered imagery.

As innovation in deep learning continues, many engineers seek to adopt Pre-Trained Models (PTMs) as components in computer systems. Researchers publish PTMs, which engineers adapt for quality or performance prior to deployment. PTM authors should choose appropriate names for their PTMs, which would facilitate model discovery and reuse. However, prior research has reported that model names are not always well chosen - and are sometimes erroneous. The naming for PTM packages has not been systematically studied. In this paper, we frame and conduct the first empirical investigation of PTM naming practices in the Hugging Face PTM registry. We initiated our study with a survey of 108 Hugging Face users to understand the practices in PTM naming. From our survey analysis, we highlight discrepancies from traditional software package naming, and present findings on naming practices. Our findings indicate there is a great mismatch between engineers' preferences and practical practices of PTM naming. We also present practices on detecting naming anomalies and introduce a novel automated DNN ARchitecture Assessment technique (DARA), capable of detecting PTM naming anomalies. We envision future works on leveraging meta-features of PTMs to improve model reuse and trustworthiness.

This study presents a targeted model editing analysis focused on the latest large language model, Llama-3. We explore the efficacy of popular model editing techniques - ROME, MEMIT, and EMMET, which are designed for precise layer interventions. We identify the most effective layers for targeted edits through an evaluation that encompasses up to 4096 edits across three distinct strategies: sequential editing, batch editing, and a hybrid approach we call as sequential-batch editing. Our findings indicate that increasing edit batch-sizes may degrade model performance more significantly than using smaller edit batches sequentially for equal number of edits. With this, we argue that sequential model editing is an important component for scaling model editing methods and future research should focus on methods that combine both batched and sequential editing. This observation suggests a potential limitation in current model editing methods which push towards bigger edit batch sizes, and we hope it paves way for future investigations into optimizing batch sizes and model editing performance.

Improvements in language model capabilities are often attributed to increasing model size or training data, but in some cases smaller models trained on curated data or with different architectural decisions can outperform larger ones trained on more tokens. What accounts for this? To quantify the impact of these design choices, we meta-analyze 92 open-source pretrained models across a wide array of scales, including state-of-the-art open-weights models as well as less performant models and those with less conventional design decisions. We find that by incorporating features besides model size and number of training tokens, we can achieve a relative 3-28% increase in ability to predict downstream performance compared with using scale alone. Analysis of model design decisions reveal insights into data composition, such as the trade-off between language and code tasks at 15-25\% code, as well as the better performance of some architectural decisions such as choosing rotary over learned embeddings. Broadly, our framework lays a foundation for more systematic investigation of how model development choices shape final capabilities.

Previous work has showcased the intriguing capability of large language models (LLMs) in retrieving facts and processing context knowledge. However, only limited research exists on the layer-wise capability of LLMs to encode knowledge, which challenges our understanding of their internal mechanisms. In this paper, we devote the first attempt to investigate the layer-wise capability of LLMs through probing tasks. We leverage the powerful generative capability of ChatGPT to construct probing datasets, providing diverse and coherent evidence corresponding to various facts. We employ mathcal V-usable information as the validation metric to better reflect the capability in encoding context knowledge across different layers. Our experiments on conflicting and newly acquired knowledge show that LLMs: (1) prefer to encode more context knowledge in the upper layers; (2) primarily encode context knowledge within knowledge-related entity tokens at lower layers while progressively expanding more knowledge within other tokens at upper layers; and (3) gradually forget the earlier context knowledge retained within the intermediate layers when provided with irrelevant evidence. Code is publicly available at https://github.com/Jometeorie/probing_llama.

Deep Neural Networks (DNNs) are being adopted as components in software systems. Creating and specializing DNNs from scratch has grown increasingly difficult as state-of-the-art architectures grow more complex. Following the path of traditional software engineering, machine learning engineers have begun to reuse large-scale pre-trained models (PTMs) and fine-tune these models for downstream tasks. Prior works have studied reuse practices for traditional software packages to guide software engineers towards better package maintenance and dependency management. We lack a similar foundation of knowledge to guide behaviors in pre-trained model ecosystems. In this work, we present the first empirical investigation of PTM reuse. We interviewed 12 practitioners from the most popular PTM ecosystem, Hugging Face, to learn the practices and challenges of PTM reuse. From this data, we model the decision-making process for PTM reuse. Based on the identified practices, we describe useful attributes for model reuse, including provenance, reproducibility, and portability. Three challenges for PTM reuse are missing attributes, discrepancies between claimed and actual performance, and model risks. We substantiate these identified challenges with systematic measurements in the Hugging Face ecosystem. Our work informs future directions on optimizing deep learning ecosystems by automated measuring useful attributes and potential attacks, and envision future research on infrastructure and standardization for model registries.

Recent advancements in large generative models, particularly diffusion-based methods, have significantly enhanced the capabilities of image editing. However, achieving precise control over image composition tasks remains a challenge. Layered representations, which allow for independent editing of image components, are essential for user-driven content creation, yet existing approaches often struggle to decompose image into plausible layers with accurately retained transparent visual effects such as shadows and reflections. We propose LayerDecomp, a generative framework for image layer decomposition which outputs photorealistic clean backgrounds and high-quality transparent foregrounds with faithfully preserved visual effects. To enable effective training, we first introduce a dataset preparation pipeline that automatically scales up simulated multi-layer data with synthesized visual effects. To further enhance real-world applicability, we supplement this simulated dataset with camera-captured images containing natural visual effects. Additionally, we propose a consistency loss which enforces the model to learn accurate representations for the transparent foreground layer when ground-truth annotations are not available. Our method achieves superior quality in layer decomposition, outperforming existing approaches in object removal and spatial editing tasks across several benchmarks and multiple user studies, unlocking various creative possibilities for layer-wise image editing. The project page is https://rayjryang.github.io/LayerDecomp.

Training a family of large language models targeting multiple scales and deployment objectives is prohibitively expensive, requiring separate training runs for each different size. Recent work on model compression through pruning and knowledge distillation has reduced this cost; however, this process still incurs hundreds of billions of tokens worth of training cost per compressed model. In this paper, we present Nemotron Elastic, a framework for building reasoning-oriented LLMs, including hybrid Mamba-Attention architectures, that embed multiple nested submodels within a single parent model, each optimized for different deployment configurations and budgets. Each of these submodels shares weights with the parent model and can be extracted zero-shot during deployment without additional training or fine-tuning. We enable this functionality through an end-to-end trained router, tightly coupled to a two-stage training curriculum designed specifically for reasoning models. We additionally introduce group-aware SSM elastification that preserves Mamba's structural constraints, heterogeneous MLP elastification, normalized MSE-based layer importance for improved depth selection, and knowledge distillation enabling simultaneous multi-budget optimization. We apply Nemotron Elastic to the Nemotron Nano V2 12B model, simultaneously producing a 9B and a 6B model using only 110B training tokens; this results in over 360x cost reduction compared to training model families from scratch, and around 7x compared to SoTA compression techniques. Each of the nested models performs on par or better than the SoTA in accuracy. Moreover, unlike other compression methods, the nested capability of our approach allows having a many-in-one reasoning model that has constant deployment memory against the number of models in the family.

Large language models (LLMs) have shown strong performance on mathematical reasoning under well-posed conditions. However, real-world engineering problems require more than mathematical symbolic computation -- they need to deal with uncertainty, context, and open-ended scenarios. Existing benchmarks fail to capture these complexities. We introduce EngiBench, a hierarchical benchmark designed to evaluate LLMs on solving engineering problems. It spans three levels of increasing difficulty (foundational knowledge retrieval, multi-step contextual reasoning, and open-ended modeling) and covers diverse engineering subfields. To facilitate a deeper understanding of model performance, we systematically rewrite each problem into three controlled variants (perturbed, knowledge-enhanced, and math abstraction), enabling us to separately evaluate the model's robustness, domain-specific knowledge, and mathematical reasoning abilities. Experiment results reveal a clear performance gap across levels: models struggle more as tasks get harder, perform worse when problems are slightly changed, and fall far behind human experts on the high-level engineering tasks. These findings reveal that current LLMs still lack the high-level reasoning needed for real-world engineering, highlighting the need for future models with deeper and more reliable problem-solving capabilities. Our source code and data are available at https://github.com/EngiBench/EngiBench.

Foundation models are trained on increasingly immense and opaque datasets. Even while these models are now key in AI system building, it can be difficult to answer the straightforward question: has the model already encountered a given example during training? We therefore propose a widespread adoption of Data Portraits: artifacts that record training data and allow for downstream inspection. First we outline the properties of such an artifact and discuss how existing solutions can be used to increase transparency. We then propose and implement a solution based on data sketching, stressing fast and space efficient querying. Using our tools, we document a popular language modeling corpus (The Pile) and a recently released code modeling dataset (The Stack). We show that our solution enables answering questions about test set leakage and model plagiarism. Our tool is lightweight and fast, costing only 3% of the dataset size in overhead. We release a live interface of our tools at https://dataportraits.org/ and call on dataset and model creators to release Data Portraits as a complement to current documentation practices.

In this report, we introduce Falcon-H1, a new series of large language models (LLMs) featuring hybrid architecture designs optimized for both high performance and efficiency across diverse use cases. Unlike earlier Falcon models built solely on Transformer or Mamba architectures, Falcon-H1 adopts a parallel hybrid approach that combines Transformer-based attention with State Space Models (SSMs), known for superior long-context memory and computational efficiency. We systematically revisited model design, data strategy, and training dynamics, challenging conventional practices in the field. Falcon-H1 is released in multiple configurations, including base and instruction-tuned variants at 0.5B, 1.5B, 1.5B-deep, 3B, 7B, and 34B parameters. Quantized instruction-tuned models are also available, totaling over 30 checkpoints on Hugging Face Hub. Falcon-H1 models demonstrate state-of-the-art performance and exceptional parameter and training efficiency. The flagship Falcon-H1-34B matches or outperforms models up to 70B scale, such as Qwen3-32B, Qwen2.5-72B, and Llama3.3-70B, while using fewer parameters and less data. Smaller models show similar trends: the Falcon-H1-1.5B-Deep rivals current leading 7B-10B models, and Falcon-H1-0.5B performs comparably to typical 7B models from 2024. These models excel across reasoning, mathematics, multilingual tasks, instruction following, and scientific knowledge. With support for up to 256K context tokens and 18 languages, Falcon-H1 is suitable for a wide range of applications. All models are released under a permissive open-source license, underscoring our commitment to accessible and impactful AI research.

The rapidly evolving fields of Machine Learning (ML) and Artificial Intelligence have witnessed the emergence of platforms like Hugging Face (HF) as central hubs for model development and sharing. This experience report synthesizes insights from two comprehensive studies conducted on HF, focusing on carbon emissions and the evolutionary and maintenance aspects of ML models. Our objective is to provide a practical guide for future researchers embarking on mining software repository studies within the HF ecosystem to enhance the quality of these studies. We delve into the intricacies of the replication package used in our studies, highlighting the pivotal tools and methodologies that facilitated our analysis. Furthermore, we propose a nuanced stratified sampling strategy tailored for the diverse HF Hub dataset, ensuring a representative and comprehensive analytical approach. The report also introduces preliminary guidelines, transitioning from repository mining to cohort studies, to establish causality in repository mining studies, particularly within the ML model of HF context. This transition is inspired by existing frameworks and is adapted to suit the unique characteristics of the HF model ecosystem. Our report serves as a guiding framework for researchers, contributing to the responsible and sustainable advancement of ML, and fostering a deeper understanding of the broader implications of ML models.

Physics-based numerical models have been the bedrock of atmospheric sciences for decades, offering robust solutions but often at the cost of significant computational resources. Deep learning (DL) models have emerged as powerful tools in meteorology, capable of analyzing complex weather and climate data by learning intricate dependencies and providing rapid predictions once trained. While these models demonstrate promising performance in weather prediction, often surpassing traditional physics-based methods, they still face critical challenges. This paper presents a comprehensive survey of recent deep learning and foundation models for weather prediction. We propose a taxonomy to classify existing models based on their training paradigms: deterministic predictive learning, probabilistic generative learning, and pre-training and fine-tuning. For each paradigm, we delve into the underlying model architectures, address major challenges, offer key insights, and propose targeted directions for future research. Furthermore, we explore real-world applications of these methods and provide a curated summary of open-source code repositories and widely used datasets, aiming to bridge research advancements with practical implementations while fostering open and trustworthy scientific practices in adopting cutting-edge artificial intelligence for weather prediction. The related sources are available at https://github.com/JimengShi/ DL-Foundation-Models-Weather.

OpenLanguageModel (OLM) is an open-source PyTorch library for building and pretraining small language models while keeping their machinery visible. In OLM, model code reads like the architecture: components are ordinary modules, while Block, Residual, Repeat, and Parallel describe how they are wired. The resulting model can move unchanged from a teaching notebook to a complete pretraining run or a research ablation. OLM connects this readable model layer to tokenizers, local and streaming datasets, optimization, mixed precision, callbacks, checkpoints, and hardware-aware CPU, single-GPU, and single-node multi-GPU execution. We demonstrate the full path by tracing GPT-2 from diagram to code, launching a FineWeb-Edu training script, replacing one attention component, and letting AutoTrainer configure the available machine. The package includes 27 presets across nine familiar model families and documentation that progresses from LM fundamentals to architecture research. Validation shows close agreement with independent reference implementations, 90.6% four-GPU weak-scaling efficiency for a 348M-parameter workload, compact architecture edits, and positive early usability results. OLM is MIT-licensed and available through PyPI, GitHub, and its documentation site.

Generative AI models have made significant progress in automating the creation of 3D shapes, which has the potential to transform car design. In engineering design and optimization, evaluating engineering metrics is crucial. To make generative models performance-aware and enable them to create high-performing designs, surrogate modeling of these metrics is necessary. However, the currently used representations of three-dimensional (3D) shapes either require extensive computational resources to learn or suffer from significant information loss, which impairs their effectiveness in surrogate modeling. To address this issue, we propose a new two-dimensional (2D) representation of 3D shapes. We develop a surrogate drag model based on this representation to verify its effectiveness in predicting 3D car drag. We construct a diverse dataset of 9,070 high-quality 3D car meshes labeled by drag coefficients computed from computational fluid dynamics (CFD) simulations to train our model. Our experiments demonstrate that our model can accurately and efficiently evaluate drag coefficients with an R^2 value above 0.84 for various car categories. Moreover, the proposed representation method can be generalized to many other product categories beyond cars. Our model is implemented using deep neural networks, making it compatible with recent AI image generation tools (such as Stable Diffusion) and a significant step towards the automatic generation of drag-optimized car designs. We have made the dataset and code publicly available at https://decode.mit.edu/projects/dragprediction/.

Surrogate models are necessary to optimize meaningful quantities in physical dynamics as their recursive numerical resolutions are often prohibitively expensive. It is mainly the case for fluid dynamics and the resolution of Navier-Stokes equations. However, despite the fast-growing field of data-driven models for physical systems, reference datasets representing real-world phenomena are lacking. In this work, we develop AirfRANS, a dataset for studying the two-dimensional incompressible steady-state Reynolds-Averaged Navier-Stokes equations over airfoils at a subsonic regime and for different angles of attacks. We also introduce metrics on the stress forces at the surface of geometries and visualization of boundary layers to assess the capabilities of models to accurately predict the meaningful information of the problem. Finally, we propose deep learning baselines on four machine learning tasks to study AirfRANS under different constraints for generalization considerations: big and scarce data regime, Reynolds number, and angle of attack extrapolation.

Foundation models have revolutionized natural language processing through a ``train once, deploy anywhere'' paradigm, where a single pre-trained model adapts to countless downstream tasks without retraining. Access to a Physics Foundation Model (PFM) would be transformative -- democratizing access to high-fidelity simulations, accelerating scientific discovery, and eliminating the need for specialized solver development. Yet current physics-aware machine learning approaches remain fundamentally limited to single, narrow domains and require retraining for each new system. We present the General Physics Transformer (GPhyT), trained on 1.8 TB of diverse simulation data, that demonstrates foundation model capabilities are achievable for physics. Our key insight is that transformers can learn to infer governing dynamics from context, enabling a single model to simulate fluid-solid interactions, shock waves, thermal convection, and multi-phase dynamics without being told the underlying equations. GPhyT achieves three critical breakthroughs: (1) superior performance across multiple physics domains, outperforming specialized architectures by up to 29x, (2) zero-shot generalization to entirely unseen physical systems through in-context learning, and (3) stable long-term predictions through 50-timestep rollouts. By establishing that a single model can learn generalizable physical principles from data alone, this work opens the path toward a universal PFM that could transform computational science and engineering.

Many recent breakthroughs in machine learning have been enabled by the pre-trained foundation models. By scaling up model parameters, training data, and computation resources, foundation models have significantly advanced the state-of-the-art in many applications. However, it is still an open question of how to use these models to perform downstream tasks efficiently. Knowledge distillation (KD) has been explored to tackle this challenge. KD transfers knowledge from a large teacher model to a smaller student model. While KD has been successful in improving student model performance, recent research has discovered that a powerful teacher does not necessarily lead to a powerful student, due to their huge capacity gap. In addition, the potential distribution shifts between the pre-training data and downstream tasks can make knowledge transfer in KD sub-optimal for improving downstream task performance. In this paper, we extend KD with an interactive communication process to help students of downstream tasks learn effectively from pre-trained foundation models. Our design is inspired by the way humans learn from teachers who can explain knowledge in a way that meets the students' needs. Specifically, we let each model (i.e., student and teacher) train two components: (1) an encoder encoding the model's hidden states to a message and (2) a decoder decoding any messages to its own hidden states. With encoder and decoder, not only can the teacher transfer rich information by encoding its hidden states, but also the student can send messages with information of downstream tasks to the teacher. Therefore, knowledge passing from teacher to student can be tailored to the student's capacity and downstream tasks' distributions. We conducted experiments on benchmark datasets to show that our communication mechanism outperforms state-of-the-art distillation techniques.

Warm-sector heavy rainfall often occurs along the coast of South China, and it is usually localized and long-lasting, making it challenging to predict. High-resolution numerical weather prediction (NWP) models are increasingly used to better resolve topographic features and forecast such high-impact weather events. However, when the grid spacing becomes comparable to the length scales of convection, known as the gray zone, the turbulent eddies in the atmospheric boundary layer are only partially resolved and parameterized to some extent. Whether using a convection parameterization (CP) scheme in the gray zone remains controversial. Scale-aware CP schemes are developed to enhance the representation of convective transport within the gray zone. The multi-scale Kain-Fritsch (MSKF) scheme includes modifications that allow for its effective implementation at a grid resolution as high as 2 km. In recent years, there has been an increasing application of machine learning (ML) models to various domains of atmospheric sciences, including the replacement of physical parameterizations with ML models. This work proposes a multi-output bidirectional long short-term memory (Bi-LSTM) model as a replace the scale-aware MSKF CP scheme. The Weather Research and Forecast (WRF) model is used to generate training and testing data over South China at a horizontal resolution of 5 km. Furthermore, the WRF model is coupled with the ML based CP scheme and compared with WRF simulations with original MSKF scheme. The results demonstrate that the Bi-LSTM model can achieve high accuracy, indicating the potential use of ML models to substitute the MSKF scheme in the gray zone.

The cascade of 2D geometric transformations were exploited to model relations between entities in a knowledge graph (KG), leading to an effective KG embedding (KGE) model, CompoundE. Furthermore, the rotation in the 3D space was proposed as a new KGE model, Rotate3D, by leveraging its non-commutative property. Inspired by CompoundE and Rotate3D, we leverage 3D compound geometric transformations, including translation, rotation, scaling, reflection, and shear and propose a family of KGE models, named CompoundE3D, in this work. CompoundE3D allows multiple design variants to match rich underlying characteristics of a KG. Since each variant has its own advantages on a subset of relations, an ensemble of multiple variants can yield superior performance. The effectiveness and flexibility of CompoundE3D are experimentally verified on four popular link prediction datasets.

Large Language Models (LLMs) can interact with the real world by connecting with versatile external APIs, resulting in better problem-solving and task automation capabilities. Previous research primarily focuses on APIs with limited arguments from a single source or overlooks the complex dependency relationship between different APIs. However, it is essential to utilize multiple APIs collaboratively from various sources (e.g., different Apps in the iPhone), especially for complex user instructions. In this paper, we introduce AppBench, the first benchmark to evaluate LLMs' ability to plan and execute multiple APIs from various sources in order to complete the user's task. Specifically, we consider two significant challenges in multiple APIs: 1) graph structures: some APIs can be executed independently while others need to be executed one by one, resulting in graph-like execution order; and 2) permission constraints: which source is authorized to execute the API call. We have experimental results on 9 distinct LLMs; e.g., GPT-4o achieves only a 2.0\% success rate at the most complex instruction, revealing that the existing state-of-the-art LLMs still cannot perform well in this situation even with the help of in-context learning and finetuning. Our code and data are publicly available at https://github.com/ruleGreen/AppBench.

For industrial control, developing high-performance controllers with few samples and low technical debt is appealing. Foundation models, possessing rich prior knowledge obtained from pre-training with Internet-scale corpus, have the potential to be a good controller with proper prompts. In this paper, we take HVAC (Heating, Ventilation, and Air Conditioning) building control as an example to examine the ability of GPT-4 (one of the first-tier foundation models) as the controller. To control HVAC, we wrap the task as a language game by providing text including a short description for the task, several selected demonstrations, and the current observation to GPT-4 on each step and execute the actions responded by GPT-4. We conduct series of experiments to answer the following questions: 1)~How well can GPT-4 control HVAC? 2)~How well can GPT-4 generalize to different scenarios for HVAC control? 3) How different parts of the text context affect the performance? In general, we found GPT-4 achieves the performance comparable to RL methods with few samples and low technical debt, indicating the potential of directly applying foundation models to industrial control tasks.

Model merging, such as model souping, is the practice of combining different models with the same architecture together without further training. In this work, we present a model merging methodology that addresses the difficulty of fine-tuning Large Language Models (LLMs) for target tasks in non-English languages, where task-specific data is often unavailable. We focus on mathematical reasoning and without in-language math data, facilitate cross-lingual transfer by composing language and math capabilities. Starting from the same pretrained model, we fine-tune separate "experts" on math instruction data in English and on generic instruction data in the target language. We then replace the top and bottom transformer layers of the math expert directly with layers from the language expert, which consequently enhances math performance in the target language. The resulting merged models outperform the individual experts and other merging methods on the math benchmark, MGSM, by 10% across four major languages where math instruction data is scarce. In addition, this layer swapping is simple, inexpensive, and intuitive, as it is based on an interpretative analysis of the most important parameter changes during the fine-tuning of each expert. The ability to successfully re-compose LLMs for cross-lingual transfer in this manner opens up future possibilities to combine model expertise, create modular solutions, and transfer reasoning capabilities across languages all post hoc.

Time series foundation models (TSFMs) offer strong zero-shot forecasting via large-scale pre-training, yet fine-tuning remains critical for boosting performance in domains with limited public data. With the growing number of TSFMs, efficiently identifying the best model for downstream fine-tuning becomes increasingly challenging. In this work, we introduce TimeTic, a transferability estimation framework that recasts model selection as an in-context-learning problem: given observations on known (source) datasets, it predicts how a TSFM will perform after fine-tuning on a downstream (target) dataset. TimeTic flexibly organizes the observed model-data relationships as contextual information, allowing it to adapt seamlessly to various test-time scenarios. Leveraging the natural tabular structure formed by dataset meta-features, model characteristics, and fine-tuned performance, we employ tabular foundation models to serve as in-context learners. We further introduce a novel model characterization based on entropy evolution across model layers, capturing embedding-space distinctions and enabling TimeTic to generalize across arbitrary model sets. We establish a comprehensive benchmark for transferability estimation including 10 datasets, 10 foundation models, and 3 forecasting tasks. On this benchmark, TimeTic's estimation demonstrates strong alignment with actual fine-tuned performance for previously unseen datasets, achieving a mean rank correlation of approximately 0.6 and a 30% improvement compared to using zero-shot performance as the transferability score.

Foundation models (FM), such as large language models (LLMs), which are large-scale machine learning (ML) models, have demonstrated remarkable adaptability in various downstream software engineering (SE) tasks, such as code completion, code understanding, and software development. As a result, FM leaderboards, especially those hosted on cloud platforms, have become essential tools for SE teams to compare and select the best third-party FMs for their specific products and purposes. However, the lack of standardized guidelines for FM evaluation and comparison threatens the transparency of FM leaderboards and limits stakeholders' ability to perform effective FM selection. As a first step towards addressing this challenge, our research focuses on understanding how these FM leaderboards operate in real-world scenarios ("leaderboard operations") and identifying potential leaderboard pitfalls and areas for improvement ("leaderboard smells"). In this regard, we perform a multivocal literature review to collect up to 721 FM leaderboards, after which we examine their documentation and engage in direct communication with leaderboard operators to understand their workflow patterns. Using card sorting and negotiated agreement, we identify 5 unique workflow patterns and develop a domain model that outlines the essential components and their interaction within FM leaderboards. We then identify 8 unique types of leaderboard smells in LBOps. By mitigating these smells, SE teams can improve transparency, accountability, and collaboration in current LBOps practices, fostering a more robust and responsible ecosystem for FM comparison and selection.

Code is increasingly becoming a core data modality of modern machine learning research impacting not only the way we write code with conversational agents like OpenAI's ChatGPT, Google's Bard, or Anthropic's Claude, the way we translate code from one language into another, but also the compiler infrastructure underlying the language. While modeling approaches may vary and representations differ, the targeted tasks often remain the same within the individual classes of models. Relying solely on the ability of modern models to extract information from unstructured code does not take advantage of 70 years of programming language and compiler development by not utilizing the structure inherent to programs in the data collection. This detracts from the performance of models working over a tokenized representation of input code and precludes the use of these models in the compiler itself. To work towards the first intermediate representation (IR) based models, we fully utilize the LLVM compiler infrastructure, shared by a number of languages, to generate a 182B token dataset of LLVM IR. We generated this dataset from programming languages built on the shared LLVM infrastructure, including Rust, Swift, Julia, and C/C++, by hooking into LLVM code generation either through the language's package manager or the compiler directly to extract the dataset of intermediate representations from production grade programs. Statistical analysis proves the utility of our dataset not only for large language model training, but also for the introspection into the code generation process itself with the dataset showing great promise for machine-learned compiler components.

In this paper, we propose the MultiLevel Variational MultiScale (ML-VMS) method, a novel approach that seamlessly integrates a multilevel mesh strategy into the Variational Multiscale (VMS) framework. A key feature of the ML-VMS method is the use of the Convolutional Hierarchical Deep Neural Network (C-HiDeNN) as the approximation basis. The framework employs a coarse mesh throughout the domain, with localized fine meshes placed only in subdomains of high interest, such as those surrounding a source. Solutions at different resolutions are robustly coupled through the variational weak form and interface conditions. Compared to existing multilevel methods, ML-VMS (1) can couple an arbitrary number of mesh levels across different scales using variational multiscale framework; (2) allows approximating functions with arbitrary orders with linear finite element mesh due to the C-HiDeNN basis; (3) is supported by a rigorous theoretical error analysis; (4) features several tunable hyperparameters (e.g., order p, patch size s) with a systematic guide for their selection. We first show the theoretical error estimates of ML-VMS. Then through numerical examples, we demonstrate that ML-VMS with the C-HiDeNN takes less computational time than the FEM basis given comparable accuracy. Furthermore, we incorporate a space-time reduced-order model (ROM) based on C-HiDeNN-Tensor Decomposition (TD) into the ML-VMS framework. For a large-scale single-track laser powder bed fusion (LPBF) transient heat transfer problem that is equivalent to a full-order finite element model with 10^{10} spatial degrees of freedom (DoFs), our 3-level ML-VMS C-HiDeNN-TD achieves an approximately 5,000x speedup on a single CPU over a single-level linear FEM-TD ROM.

The BigCode project is an open-scientific collaboration working on the responsible development of large language models for code. This tech report describes the progress of the collaboration until December 2022, outlining the current state of the Personally Identifiable Information (PII) redaction pipeline, the experiments conducted to de-risk the model architecture, and the experiments investigating better preprocessing methods for the training data. We train 1.1B parameter models on the Java, JavaScript, and Python subsets of The Stack and evaluate them on the MultiPL-E text-to-code benchmark. We find that more aggressive filtering of near-duplicates can further boost performance and, surprisingly, that selecting files from repositories with 5+ GitHub stars deteriorates performance significantly. Our best model outperforms previous open-source multilingual code generation models (InCoder-6.7B and CodeGen-Multi-2.7B) in both left-to-right generation and infilling on the Java, JavaScript, and Python portions of MultiPL-E, despite being a substantially smaller model. All models are released under an OpenRAIL license at https://hf.co/bigcode.

We present Hunyuan3D 2.0, an advanced large-scale 3D synthesis system for generating high-resolution textured 3D assets. This system includes two foundation components: a large-scale shape generation model -- Hunyuan3D-DiT, and a large-scale texture synthesis model -- Hunyuan3D-Paint. The shape generative model, built on a scalable flow-based diffusion transformer, aims to create geometry that properly aligns with a given condition image, laying a solid foundation for downstream applications. The texture synthesis model, benefiting from strong geometric and diffusion priors, produces high-resolution and vibrant texture maps for either generated or hand-crafted meshes. Furthermore, we build Hunyuan3D-Studio -- a versatile, user-friendly production platform that simplifies the re-creation process of 3D assets. It allows both professional and amateur users to manipulate or even animate their meshes efficiently. We systematically evaluate our models, showing that Hunyuan3D 2.0 outperforms previous state-of-the-art models, including the open-source models and closed-source models in geometry details, condition alignment, texture quality, and etc. Hunyuan3D 2.0 is publicly released in order to fill the gaps in the open-source 3D community for large-scale foundation generative models. The code and pre-trained weights of our models are available at: https://github.com/Tencent/Hunyuan3D-2

Recent advancements in building domain-specific large language models (LLMs) have shown remarkable success, especially in tasks requiring reasoning abilities like logical inference over complex relationships and multi-step problem solving. However, creating a powerful all-in-one LLM remains challenging due to the need for proprietary data and vast computational resources. As a resource-friendly alternative, we explore the potential of merging multiple expert models into a single LLM. Existing studies on model merging mainly focus on generalist LLMs instead of domain experts, or the LLMs under the same architecture and size. In this work, we propose an unconstrained model merging framework that accommodates both homogeneous and heterogeneous model architectures with a focus on reasoning tasks. A fine-grained layer-wise weight merging strategy is designed for homogeneous models merging, while heterogeneous model merging is built upon the probabilistic distribution knowledge derived from instruction-response fine-tuning data. Across 7 benchmarks and 9 reasoning-optimized LLMs, we reveal key findings that combinatorial reasoning emerges from merging which surpasses simple additive effects. We propose that unconstrained model merging could serve as a foundation for decentralized LLMs, marking a notable progression from the existing centralized LLM framework. This evolution could enhance wider participation and stimulate additional advancement in the field of artificial intelligence, effectively addressing the constraints posed by centralized models.

In an industrial group like Safran, numerical simulations of physical phenomena are integral to most design processes. At Safran's corporate research center, we enhance these processes by developing fast and reliable surrogate models for various physics. We focus here on two technologies developed in recent years. The first is a physical reduced-order modeling method for non-linear structural mechanics and thermal analysis, used for calculating the lifespan of high-pressure turbine blades and performing heat analysis of high-pressure compressors. The second technology involves learning physics simulations with non-parameterized geometrical variability using classical machine learning tools, such as Gaussian process regression. Finally, we present our contributions to the open-source and open-data community.

AI is undergoing a paradigm shift with the rise of models (e.g., BERT, DALL-E, GPT-3) that are trained on broad data at scale and are adaptable to a wide range of downstream tasks. We call these models foundation models to underscore their critically central yet incomplete character. This report provides a thorough account of the opportunities and risks of foundation models, ranging from their capabilities (e.g., language, vision, robotics, reasoning, human interaction) and technical principles(e.g., model architectures, training procedures, data, systems, security, evaluation, theory) to their applications (e.g., law, healthcare, education) and societal impact (e.g., inequity, misuse, economic and environmental impact, legal and ethical considerations). Though foundation models are based on standard deep learning and transfer learning, their scale results in new emergent capabilities,and their effectiveness across so many tasks incentivizes homogenization. Homogenization provides powerful leverage but demands caution, as the defects of the foundation model are inherited by all the adapted models downstream. Despite the impending widespread deployment of foundation models, we currently lack a clear understanding of how they work, when they fail, and what they are even capable of due to their emergent properties. To tackle these questions, we believe much of the critical research on foundation models will require deep interdisciplinary collaboration commensurate with their fundamentally sociotechnical nature.

We address the computational challenges of solving parametric PDEs with non parametrized geometric variations and non-reducible problems, such as those involving shocks and discontinuities of variable positions. Traditional dimensionality reduction methods like POD struggle with these scenarios due to slowly decaying Kolmogorov widths. To overcome this, we propose a novel non-linear dimensionality reduction technique to reduce the required modes for representation. The non-linear reduction is obtained through a POD after applying a transformation on the fields, which we call optimal mappings, and is a solution to an optimization problem in infinite dimension. The proposed learning framework combines morphing techniques, non-linear dimensionality reduction, and Gaussian Process Regression (GPR). The problem is reformulated on a reference geometry before applying the dimensionality reduction. Our method learns both the optimal mapping, and the solution fields, using a series of GPR models, enabling efficient and accurate modeling of complex parametric PDEs with geometrical variability. The results obtained concur with current state-of-the-art models. We mainly compare our method with the winning solution of the ML4CFD NeurIPS 2024 competition.

Foundation models have transformed automated code generation, yet autonomous software-engineering agents remain unreliable in realistic development settings. The dominant explanation locates this gap in model capability. We propose a different locus: software-engineering capability emerges from a model-harness-environment system, in which a runtime substrate -- the harness -- mediates how a foundation-model agent observes a project, acts on it, receives feedback, and establishes that a change is complete. We formalize this substrate as an AI Harness Engineering and identify eleven component responsibilities: task specification, context selection, tool access, project memory, task state, observability, failure attribution, verification, permissions, entropy auditing, and intervention recording. We operationalize the harness through a four-level ladder (H0-H3) that progressively exposes runtime support to the agent, and we propose a trace-based evaluation protocol that converts each agent run into an auditable episode package. Applied to a controlled validation task, the framework yields episode packages whose evidence structure varies systematically with harness level: lower levels produce only a final patch, higher levels produce reproduction logs, failure attributions, deterministic requirement checks, and structured verification reports. The framework reframes the central question of autonomous software engineering from whether a foundation model can produce a patch to whether the model-harness-environment system can produce a verifiably correct, attributed, and maintainable change. We outline a research program for the runtime systems that foundation-model software agents will require.

The surprising ability of Large Language Models (LLMs) to perform well on complex reasoning with only few-shot chain-of-thought prompts is believed to emerge only in very large-scale models (100+ billion parameters). We show that such abilities can, in fact, be distilled down from GPT-3.5 (ge 175B) to T5 variants (le 11B). We propose model specialization, to specialize the model's ability towards a target task. The hypothesis is that large models (commonly viewed as larger than 100B) have strong modeling power, but are spread on a large spectrum of tasks. Small models (commonly viewed as smaller than 10B) have limited model capacity, but if we concentrate their capacity on a specific target task, the model can achieve a decent improved performance. We use multi-step math reasoning as our testbed because it is a very typical emergent ability. We show two important aspects of model abilities: (1). there exists a very complex balance/ tradeoff between language models' multi-dimensional abilities; (2). by paying the price of decreased generic ability, we can clearly lift up the scaling curve of models smaller than 10B towards a specialized multi-step math reasoning ability. We further give comprehensive discussions about important design choices for better generalization, including the tuning data format, the start model checkpoint, and a new model selection method. We hope our practice and discoveries can serve as an important attempt towards specialized smaller models in the new research paradigm set by LLMs.

We report a mixture of expert strategy to create fine-tuned large language models using a deep layer-wise token-level approach based on low-rank adaptation (LoRA). Starting with a set of pre-trained LoRA adapters, we propose a gating strategy that uses the hidden states to dynamically mix adapted layers, allowing the resulting X-LoRA model to draw upon different capabilities and create never-before-used deep layer-wise combinations of adaptations are established to solve specific tasks. The design is inspired by the biological principles of universality and diversity, where neural network building blocks are reused in different hierarchical manifestations. Hence, the X-LoRA model can be easily implemented for any existing large language model (LLM) without a need for modifications of the underlying structure. We develop a tailored X-LoRA model that offers scientific capabilities including forward/inverse analysis tasks and enhanced reasoning capability, focused on biomaterial analysis, protein mechanics and design. The impact of this work include access to readily expandable, adaptable and changeable models with strong domain knowledge and the capability to integrate across areas of knowledge. With the X-LoRA model featuring experts in biology, mathematics, reasoning, bio-inspired materials, mechanics and materials, chemistry, and protein mechanics we conduct a series of physics-focused case studies. We examine knowledge recall, protein mechanics forward/inverse tasks, protein design, and adversarial agentic modeling including ontological knowledge graphs. The model is capable not only of making quantitative predictions of nanomechanical properties of proteins, but also reasons over the results and correctly predicts likely mechanisms that explain distinct molecular behaviors.

We present Laguna M.1 and Laguna XS.2, two Mixture-of-Experts foundation models built for long-horizon, agentic coding: M.1 has 225.8B total parameters (23.4B activated per token) and XS.2 has 33.4B total (3B activated). Both models were trained from scratch end-to-end inside the same internal system that we refer to as our Model Factory: a tightly-integrated stack of versioned data, training, evaluation, and inference components that turn model development into an industrial process. We describe the principles and design choices of the Model Factory and also detail the end-to-end training process of our models, throughout pre-training data and architecture, post-training stages, evaluation, and quantization. On agentic software engineering and terminal benchmarks (SWE-bench Verified, SWE-bench Multilingual, SWE-Bench Pro, and Terminal-Bench 2.0) M.1 and XS.2 are competitive with state-of-the-art open models in their respective weight classes. Laguna XS.2 weights are released under Apache~2.0 at https://huggingface.co/collections/poolside/laguna-xs2.

Despite the power of Large Language Models (LLMs) like GPT-4, they still struggle with tasks that require generating complex, structured outputs. In this study, we assess the capability of Current LLMs in generating complex structured data and propose a structure-aware fine-tuning approach as a solution to improve this ability. To perform a comprehensive evaluation, we propose Struc-Bench, include five representative LLMs (i.e., GPT-NeoX 20B, GPT-3.5, GPT-4, and Vicuna) and evaluate them on our carefully constructed datasets spanning raw text, HTML, and LaTeX tables. Based on our analysis of current model performance, we identify specific common formatting errors and areas of potential improvement. To address complex formatting requirements, we utilize FormatCoT (Chain-of-Thought) to generate format instructions from target outputs. Our experiments show that our structure-aware fine-tuning method, when applied to LLaMA-7B, significantly improves adherence to natural language constraints, outperforming other evaluated LLMs. Based on these results, we present an ability map of model capabilities from six dimensions (i.e., coverage, formatting, reasoning, comprehension, pragmatics, and hallucination). This map highlights the weaknesses of LLMs in handling complex structured outputs and suggests promising directions for future work. Our code and models can be found at https://github.com/gersteinlab/Struc-Bench.

Advancements in computing power have made it possible to numerically simulate large-scale fluid-mechanical and/or particulate systems, many of which are integral to core industrial processes. Among the different numerical methods available, the discrete element method (DEM) provides one of the most accurate representations of a wide range of physical systems involving granular and discontinuous materials. Consequently, DEM has become a widely accepted approach for tackling engineering problems connected to granular flows and powder mechanics. Additionally, DEM can be integrated with grid-based computational fluid dynamics (CFD) methods, enabling the simulation of chemical processes taking place, e.g., in fluidized beds. However, DEM is computationally intensive because of the intrinsic multiscale nature of particulate systems, restricting simulation duration or number of particles. Towards this end, NeuralDEM presents an end-to-end approach to replace slow numerical DEM routines with fast, adaptable deep learning surrogates. NeuralDEM is capable of picturing long-term transport processes across different regimes using macroscopic observables without any reference to microscopic model parameters. First, NeuralDEM treats the Lagrangian discretization of DEM as an underlying continuous field, while simultaneously modeling macroscopic behavior directly as additional auxiliary fields. Second, NeuralDEM introduces multi-branch neural operators scalable to real-time modeling of industrially-sized scenarios - from slow and pseudo-steady to fast and transient. Such scenarios have previously posed insurmountable challenges for deep learning models. Notably, NeuralDEM faithfully models coupled CFD-DEM fluidized bed reactors of 160k CFD cells and 500k DEM particles for trajectories of 28s. NeuralDEM will open many new doors to advanced engineering and much faster process cycles.

We document empirical capability ceilings in decoder-only autoregressive language models across knowledge-intensive tasks. Systematic evaluation of OPT and Pythia model families (70M-30B parameters, spanning 240 times scaling) reveals that knowledge retrieval tasks show negligible accuracy improvement despite smooth loss reduction. On MMLU mathematics benchmarks, accuracy remains flat at 19-20% (below 25% random chance) across all scales while cross-entropy loss decreases by 31%. In contrast, procedural tasks like arithmetic show conventional scaling where both metrics improve together. Attention intervention experiments reveal high sensitivity to perturbation: swapping attention patterns between models causes catastrophic performance collapse (complete accuracy loss) rather than graceful degradation. These measurements have immediate engineering implications: for knowledge-intensive applications using OPT and Pythia architectures, parameter scaling beyond 1-2B offers minimal accuracy gains despite continued loss improvement. Our findings quantify capability-specific scaling failures in these model families to inform resource allocation decisions. Whether these patterns reflect fundamental constraints of decoder-only architectures or implementation-specific limitations remains an open question requiring investigation across diverse architectural approaches.

Chemical pretrained models, sometimes referred to as foundation models, are receiving considerable interest for drug discovery applications. The general chemical knowledge extracted from self-supervised training has the potential to improve predictions for critical drug discovery endpoints, including on-target potency and ADMET properties. Multi-task learning has previously been successfully leveraged to improve predictive models. Here, we show that enabling multitasking in finetuning of chemical pretrained graph neural network models such as Kinetic GROVER Multi-Task (KERMT), an enhanced version of the GROVER model, and Knowledge-guided Pre-training of Graph Transformer (KGPT) significantly improves performance over non-pretrained graph neural network models. Surprisingly, we find that the performance improvement from finetuning KERMT in a multitask manner is most significant at larger data sizes. Additionally, we publish two multitask ADMET data splits to enable more accurate benchmarking of multitask deep learning methods for drug property prediction. Finally, we provide an accelerated implementation of the KERMT model on GitHub, unlocking large-scale pretraining, finetuning, and inference in industrial drug discovery workflows.

As the typical retraining paradigm is unacceptably time- and resource-consuming, researchers are turning to model editing to find an effective way that supports both consecutive and batch scenarios to edit the model behavior directly. Despite all these practical expectations, existing model editing methods fail to realize all of them. Furthermore, the memory demands for such sequential model editing approaches tend to be prohibitive, frequently necessitating an external memory that grows incrementally over time. To cope with these challenges, we propose CoachHooK, a model editing method that simultaneously supports sequential and batch editing. CoachHooK is memory-friendly as it only needs a small amount of it to store several hook layers whose size remains unchanged over time. Experimental results demonstrate the superiority of our method over other batch-supportive model editing methods under both single-round and consecutive batch editing scenarios. Extensive analyses of CoachHooK have been conducted to verify the stability of our method over a number of consecutive steps.

We introduce TexVerse, a large-scale 3D dataset featuring high-resolution textures. While recent advances in large-scale 3D datasets have enhanced high-resolution geometry generation, creating high-resolution textures end-to-end remains underexplored due to the lack of suitable datasets. TexVerse fills this gap with a curated collection of over 858K unique high-resolution 3D models sourced from Sketchfab, including more than 158K models with physically based rendering (PBR) materials. Each model encompasses all of its high-resolution variants, bringing the total to 1.6M 3D instances. TexVerse also includes specialized subsets: TexVerse-Skeleton, with 69K rigged models, and TexVerse-Animation, with 54K animated models, both preserving original skeleton and animation data uploaded by the user. We also provide detailed model annotations describing overall characteristics, structural components, and intricate features. TexVerse offers a high-quality data resource with wide-ranging potential applications in texture synthesis, PBR material development, animation, and various 3D vision and graphics tasks.

Effective evaluation of multi-hop tool use is critical for analyzing the understanding, reasoning, and function-calling capabilities of large language models (LLMs). However, progress has been hindered by a lack of reliable evaluation datasets. To address this, we present ToolHop, a dataset comprising 995 user queries and 3,912 associated tools, specifically designed for rigorous evaluation of multi-hop tool use. ToolHop ensures diverse queries, meaningful interdependencies, locally executable tools, detailed feedback, and verifiable answers through a novel query-driven data construction approach that includes tool creation, document refinement, and code generation. We evaluate 14 LLMs across five model families (i.e., LLaMA3.1, Qwen2.5, Gemini1.5, Claude3.5, and GPT), uncovering significant challenges in handling multi-hop tool-use scenarios. The leading model, GPT-4o, achieves an accuracy of 49.04%, underscoring substantial room for improvement. Further analysis reveals variations in tool-use strategies for various families, offering actionable insights to guide the development of more effective approaches. Code and data can be found in https://huggingface.co/bytedance-research/ToolHop.

We are entering a new era of composite model architectures that integrate diverse components such as vision encoders, language backbones, diffusion and flow heads, audio codecs, action generators, and world-model predictors. Such architectures underpin a broad class of multimodal models, including unified multimodal models, omni models, speech-language models, vision-language-action policies, and world models. However, existing model serving frameworks were built on narrow assumptions about model structure, making them ill-suited to accommodate this new architectural diversity. Here we present M*, a universal serving system for efficient serving of composite AI models. M* represents models as dataflow graphs, processing requests spanning diverse modalities and tasks as traversals over these graphs. The core insight is a modular abstraction that supports arbitrary composition of model components, flexible placement onto a physical cluster, and model-agnostic optimizations within a distributed runtime. We call this abstraction the Walk Graph and show how it can concisely capture composite models from a broad range of families. We instantiate M* on representative models and find that it achieves, on average, 20% lower end-to-end latency than vLLM-Omni for text-to-image workloads on BAGEL, while delivering up to 2.9x lower real-time factor and 2.7x higher throughput for text-to-speech workloads on Qwen3-Omni. M* also outperforms the V-JEPA 2-AC rollout baseline for robotic planning by up to 12.5x. Thus, our work paves the road towards more efficient serving of complex models with minimal developer effort.

From extracting features to generating text, the outputs of large language models (LLMs) typically rely on their final layers, following the conventional wisdom that earlier layers capture only low-level cues. However, our analysis shows that intermediate layers can encode even richer representations, often improving performance on a wide range of downstream tasks. To explain and quantify these hidden-layer properties, we propose a unified framework of representation quality metrics based on information theory, geometry, and invariance to input perturbations. Our framework highlights how each model layer balances information compression and signal preservation, revealing why mid-depth embeddings can exceed the last layer's performance. Through extensive experiments on 32 text-embedding tasks and comparisons across model architectures (transformers, state-space models) and domains (language, vision), we demonstrate that intermediate layers consistently provide stronger features. These findings challenge the standard focus on final-layer embeddings and open new directions for model analysis and optimization, including strategic use of mid-layer representations for more robust and accurate AI systems.

We introduce the Granite Embedding models, a family of encoder-based embedding models designed for retrieval tasks, spanning dense-retrieval and sparse retrieval architectures, with both English and Multilingual capabilities. This report provides the technical details of training these highly effective 12 layer embedding models, along with their efficient 6 layer distilled counterparts. Extensive evaluations show that the models, developed with techniques like retrieval oriented pretraining, contrastive finetuning, knowledge distillation, and model merging significantly outperform publicly available models of similar sizes on both internal IBM retrieval and search tasks, and have equivalent performance on widely used information retrieval benchmarks, while being trained on high-quality data suitable for enterprise use. We publicly release all our Granite Embedding models under the Apache 2.0 license, allowing both research and commercial use at https://huggingface.co/collections/ibm-granite.

Developing Foundation Models for medical image analysis is essential to overcome the unique challenges of radiological tasks. The first challenges of this kind for 3D brain MRI, SSL3D and FOMO25, were held at MICCAI 2025. Our solution ranked first in tracks of both contests. It relies on a U-Net CNN architecture combined with strategies leveraging anatomical priors and neuroimaging domain knowledge. Notably, our models trained 1-2 orders of magnitude faster and were 10 times smaller than competing transformer-based approaches. Models are available here: https://github.com/jbanusco/BrainFM4Challenges.

Foundation models have transformed natural language processing and computer vision, and a rapidly growing literature on time-series foundation models (TSFMs) seeks to replicate this success in forecasting. While recent open-source models demonstrate the promise of TSFMs, the field lacks a comprehensive and community-accepted model evaluation framework. We see at least four major issues impeding progress on the development of such a framework. First, existing evaluation frameworks comprise benchmark forecasting tasks derived from often outdated datasets (e.g., M3), many of which lack clear metadata and overlap with the corpora used to pre-train TSFMs. Second, these frameworks evaluate models along a narrowly defined set of benchmark forecasting tasks, such as forecast horizon length or domain, but overlook core statistical properties such as non-stationarity and seasonality. Third, domain-specific models (e.g., XGBoost) are often compared unfairly, as existing frameworks do not enforce a systematic and consistent hyperparameter tuning convention for all models. Fourth, visualization tools for interpreting comparative performance are lacking. To address these issues, we introduce TempusBench, an open-source evaluation framework for TSFMs. TempusBench consists of 1) new datasets which are not included in existing TSFM pretraining corpora, 2) a set of novel benchmark tasks that go beyond existing ones, 3) a model evaluation pipeline with a standardized hyperparameter tuning protocol, and 4) a tensorboard-based visualization interface. We provide access to our code on GitHub: https://github.com/Smlcrm/TempusBench and maintain a live leaderboard at https://benchmark.smlcrm.com/.

Large Lanugage Models (LLMs) are gaining increasing popularity in a variety of use cases, from language understanding and writing to assistance in application development. One of the most important aspects for optimal funcionality of LLMs is embedding layers. Word embeddings are distributed representations of words in a continuous vector space. In the context of LLMs, words or tokens from the input text are transformed into high-dimensional vectors using unique algorithms specific to the model. Our research examines the embedding algorithms from leading companies in the industry, such as OpenAI, Google's PaLM, and BERT. Using medical data, we have analyzed similarity scores of each embedding layer, observing differences in performance among each algorithm. To enhance each model and provide an additional encoding layer, we also implemented Siamese Neural Networks. After observing changes in performance with the addition of the model, we measured the carbon footage per epoch of training. The carbon footprint associated with large language models (LLMs) is a significant concern, and should be taken into consideration when selecting algorithms for a variety of use cases. Overall, our research compared the accuracy different, leading embedding algorithms and their carbon footage, allowing for a holistic review of each embedding algorithm.

When training deep learning models, the performance depends largely on the selected hyperparameters. However, hyperparameter optimization (HPO) is often one of the most expensive parts of model design. Classical HPO methods treat this as a black-box optimization problem. However, gray-box HPO methods, which incorporate more information about the setup, have emerged as a promising direction for more efficient optimization. For example, using intermediate loss evaluations to terminate bad selections. In this work, we propose an HPO method for neural networks using logged checkpoints of the trained weights to guide future hyperparameter selections. Our method, Forecasting Model Search (FMS), embeds weights into a Gaussian process deep kernel surrogate model, using a permutation-invariant graph metanetwork to be data-efficient with the logged network weights. To facilitate reproducibility and further research, we open-source our code at https://github.com/NVlabs/forecasting-model-search.

Transparent objects are common in daily life, and understanding their multi-layer depth information -- perceiving both the transparent surface and the objects behind it -- is crucial for real-world applications that interact with transparent materials. In this paper, we introduce LayeredDepth, the first dataset with multi-layer depth annotations, including a real-world benchmark and a synthetic data generator, to support the task of multi-layer depth estimation. Our real-world benchmark consists of 1,500 images from diverse scenes, and evaluating state-of-the-art depth estimation methods on it reveals that they struggle with transparent objects. The synthetic data generator is fully procedural and capable of providing training data for this task with an unlimited variety of objects and scene compositions. Using this generator, we create a synthetic dataset with 15,300 images. Baseline models training solely on this synthetic dataset produce good cross-domain multi-layer depth estimation. Fine-tuning state-of-the-art single-layer depth models on it substantially improves their performance on transparent objects, with quadruplet accuracy on our benchmark increased from 55.14% to 75.20%. All images and validation annotations are available under CC0 at https://layereddepth.cs.princeton.edu.

Estimating fluid dynamics is classically done through the simulation and integration of numerical models solving the Navier-Stokes equations, which is computationally complex and time-consuming even on high-end hardware. This is a notoriously hard problem to solve, which has recently been addressed with machine learning, in particular graph neural networks (GNN) and variants trained and evaluated on datasets of static objects in static scenes with fixed geometry. We attempt to go beyond existing work in complexity and introduce a new model, method and benchmark. We propose EAGLE, a large-scale dataset of 1.1 million 2D meshes resulting from simulations of unsteady fluid dynamics caused by a moving flow source interacting with nonlinear scene structure, comprised of 600 different scenes of three different types. To perform future forecasting of pressure and velocity on the challenging EAGLE dataset, we introduce a new mesh transformer. It leverages node clustering, graph pooling and global attention to learn long-range dependencies between spatially distant data points without needing a large number of iterations, as existing GNN methods do. We show that our transformer outperforms state-of-the-art performance on, both, existing synthetic and real datasets and on EAGLE. Finally, we highlight that our approach learns to attend to airflow, integrating complex information in a single iteration.

Building models that generalize across physical systems without retraining remains a central challenge in computational science. Here we introduce In-Context Modeling (ICM), a retrain-free paradigm that infers physical relationships directly from observational fields. Rather than encoding system-specific behavior in fixed parameters, ICM assimilates measurements as physical context and performs inference through a single forward pass. Trained in a physics-informed, label-free manner using governing equations, a single model generalizes across unseen materials, geometries, and loading conditions. Demonstrated on hyperelasticity, ICM integrates with finite-element simulations and is validated using experimental full-field measurements. Moreover, performance improves with increasing data diversity and computational budget, exhibiting favorable scaling behavior analogous to foundation models. By recasting physical modeling as in-context inference, this work establishes a transferable paradigm for retrain-free scientific learning and a foundation for scalable modeling across computational science.