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Jul 29

Middo: Model-Informed Dynamic Data Optimization for Enhanced LLM Fine-Tuning via Closed-Loop Learning

Supervised Fine-Tuning (SFT) Large Language Models (LLM) fundamentally rely on high-quality training data. While data selection and data synthesis are two common strategies to improve data quality, existing approaches often face limitations in static dataset curation that fail to adapt to evolving model capabilities. In this paper, we introduce Middo, a self-evolving Model-informed dynamic data optimization framework that uses model-aware data selection and context-preserving data refinement. Unlike conventional one-off filtering/synthesis methods, our framework establishes a closed-loop optimization system: (1) A self-referential diagnostic module proactively identifies suboptimal samples through tri-axial model signals - loss patterns (complexity), embedding cluster dynamics (diversity), and self-alignment scores (quality); (2) An adaptive optimization engine then transforms suboptimal samples into pedagogically valuable training points while preserving semantic integrity; (3) This optimization process continuously evolves with model capability through dynamic learning principles. Experiments on multiple benchmarks demonstrate that our \method consistently enhances the quality of seed data and boosts LLM's performance with improving accuracy by 7.15% on average while maintaining the original dataset scale. This work establishes a new paradigm for sustainable LLM training through dynamic human-AI co-evolution of data and models. Our datasets, models, and code are coming soon.

opendatalab OpenDataLab
·
Aug 29, 2025

Harnessing Optimization Dynamics for Curvature-Informed Model Merging

Model merging is an effective post-training strategy for composing capabilities in large language models without joint retraining. We study this in the supervised fine-tuning (SFT) stage, where multiple capability-based SFT checkpoints -- spanning math, code, precise instruction following, general instruction following, and knowledge recall -- must be consolidated into a single model. We introduce Optimization Trajectory Aware (OTA) Merging, a curvature-aware aggregation that leverages optimizer second-moment statistics as a diagonal curvature proxy to reweight parameter edits and mitigate interference. Complementing OTA, we propose Fast Fisher Grafting (FFG), a curvature-driven task-localization step that sparsifies conflicting or low-importance edits. FFG induces extremely low-rank masks concentrated in early attention query/key projections and token embeddings, exploiting shared curvature across capabilities. We further develop a memory-light compression of the second moments that preserves OTA's effect. Across diverse capability-based SFT checkpoints, OTA+FFG improves merged-model quality over strong weight-space baselines, reduces negative transfer, and remains robust across sparsity levels. Analyses reveal substantial curvature overlap between checkpoints, offering a novel lens on why simple linear merging can be effective in practice. Ablations confirm that FFG is critical for reducing task interference and that the compressed second moments retain the gains of the full formulation. To facilitate reproducibility, we open-source all code, training and evaluation scripts, visualization artifacts, and capability-specific SFT checkpoints at https://github.com/pmahdavi/ota-merge.

  • 4 authors
·
Sep 14, 2025

Opus: A Large Work Model for Complex Workflow Generation

This paper introduces Opus, a novel framework for generating and optimizing Workflows tailored to complex Business Process Outsourcing (BPO) use cases, focusing on cost reduction and quality enhancement while adhering to established industry processes and operational constraints. Our approach generates executable Workflows from Intention, defined as the alignment of Client Input, Client Output, and Process Context. These Workflows are represented as Directed Acyclic Graphs (DAGs), with nodes as Tasks consisting of sequences of executable Instructions, including tools and human expert reviews. We adopt a two-phase methodology: Workflow Generation and Workflow Optimization. In the Generation phase, Workflows are generated using a Large Work Model (LWM) informed by a Work Knowledge Graph (WKG) that encodes domain-specific procedural and operational knowledge. In the Optimization phase, Workflows are transformed into Workflow Graphs (WFGs), where optimal Workflows are determined through path optimization. Our experiments demonstrate that state-of-the-art Large Language Models (LLMs) face challenges in reliably retrieving detailed process data as well as generating industry-compliant workflows. The key contributions of this paper include: - The integration of a Work Knowledge Graph (WKG) into a Large Work Model (LWM), enabling the generation of context-aware, semantically aligned, structured and auditable Workflows. - A two-phase approach that combines Workflow Generation from Intention with graph-based Workflow Optimization. - Opus Alpha 1 Large and Opus Alpha 1 Small, models that outperform state-of-the-art LLMs by 38\% and 29\% respectively in Workflow Generation for a Medical Coding use case.

  • 4 authors
·
Nov 30, 2024

Random Grid Neural Processes for Parametric Partial Differential Equations

We introduce a new class of spatially stochastic physics and data informed deep latent models for parametric partial differential equations (PDEs) which operate through scalable variational neural processes. We achieve this by assigning probability measures to the spatial domain, which allows us to treat collocation grids probabilistically as random variables to be marginalised out. Adapting this spatial statistics view, we solve forward and inverse problems for parametric PDEs in a way that leads to the construction of Gaussian process models of solution fields. The implementation of these random grids poses a unique set of challenges for inverse physics informed deep learning frameworks and we propose a new architecture called Grid Invariant Convolutional Networks (GICNets) to overcome these challenges. We further show how to incorporate noisy data in a principled manner into our physics informed model to improve predictions for problems where data may be available but whose measurement location does not coincide with any fixed mesh or grid. The proposed method is tested on a nonlinear Poisson problem, Burgers equation, and Navier-Stokes equations, and we provide extensive numerical comparisons. We demonstrate significant computational advantages over current physics informed neural learning methods for parametric PDEs while improving the predictive capabilities and flexibility of these models.

  • 6 authors
·
Jan 26, 2023

LLM4DS: Evaluating Large Language Models for Data Science Code Generation

The adoption of Large Language Models (LLMs) for code generation in data science offers substantial potential for enhancing tasks such as data manipulation, statistical analysis, and visualization. However, the effectiveness of these models in the data science domain remains underexplored. This paper presents a controlled experiment that empirically assesses the performance of four leading LLM-based AI assistants-Microsoft Copilot (GPT-4 Turbo), ChatGPT (o1-preview), Claude (3.5 Sonnet), and Perplexity Labs (Llama-3.1-70b-instruct)-on a diverse set of data science coding challenges sourced from the Stratacratch platform. Using the Goal-Question-Metric (GQM) approach, we evaluated each model's effectiveness across task types (Analytical, Algorithm, Visualization) and varying difficulty levels. Our findings reveal that all models exceeded a 50% baseline success rate, confirming their capability beyond random chance. Notably, only ChatGPT and Claude achieved success rates significantly above a 60% baseline, though none of the models reached a 70% threshold, indicating limitations in higher standards. ChatGPT demonstrated consistent performance across varying difficulty levels, while Claude's success rate fluctuated with task complexity. Hypothesis testing indicates that task type does not significantly impact success rate overall. For analytical tasks, efficiency analysis shows no significant differences in execution times, though ChatGPT tended to be slower and less predictable despite high success rates. This study provides a structured, empirical evaluation of LLMs in data science, delivering insights that support informed model selection tailored to specific task demands. Our findings establish a framework for future AI assessments, emphasizing the value of rigorous evaluation beyond basic accuracy measures.

  • 4 authors
·
Nov 16, 2024

EO-WM: A Physically Informed World Model for Probabilistic Earth Observation Forecasting

Earth Observation (EO) forecasting aims to predict future Earth surface dynamics from satellite observations under changing meteorological conditions. In this paper, we view this task as a partially observed, weather-driven world modeling problem, in which weather acts as a conditioning signal, while forecasting remains uncertain due to sparse observations and unobserved land-surface states. However, existing methods do not fully capture this setting: deterministic models collapse uncertainty into a single future prediction, while diffusion-based methods typically treat weather variables as undifferentiated conditioning signals, and existing benchmarks focus mainly on reconstruction accuracy rather than whether forecasts respond correctly to changed weather forcing.We introduce EO-WM, a video diffusion transformer for multispectral EO forecasting. EO-WM incorporates a physically informed conditioning framework that represents meteorological forcing through a climatological baseline, weather anomalies, and cumulative physical stress signals. Specifically, it separates baseline and anomaly through distinct conditioning pathways, and accumulates anomalous forcing over time to capture sustained heat and drought stress. To evaluate weather-response behavior beyond standard metrics, we introduce two diagnostic benchmarks: an Extreme Summer Benchmark for severity-aware prediction of vegetation degradation under extreme weather, and a Seasonal Matched-Pair Benchmark for testing response fidelity under changed weather forcing. Experiments show that EO-WM reduces the error in predicted Normalized Difference Vegetation Index (NDVI) decline amplitude by a relative 5.63% and improves directional hit rate by a relative 7.80%, while remaining competitive on standard pixel-level metrics. The benchmarks and model will be made open-source at https://github.com/Luo-Z13/EO-WM.

  • 6 authors
·
Jun 24 2

Global River Forecasting with a Topology-Informed AI Foundation Model

River systems operate as inherently interconnected continuous networks, meaning river hydrodynamic simulation ought to be a systemic process. However, widespread hydrology data scarcity often restricts data-driven forecasting to isolated predictions. To achieve systemic simulation and reduce reliance on river observations, we present GraphRiverCast (GRC), a topology-informed AI foundation model designed to simulate multivariate river hydrodynamics in global river systems. GRC is capable of operating in a "ColdStart" mode, generating predictions without relying on historical river states for initialization. In 7-day global pseudo-hindcasts, GRC-ColdStart functions as a robust standalone simulator, achieving a Nash-Sutcliffe Efficiency (NSE) of approximately 0.82 without exhibiting the significant error accumulation typical of autoregressive paradigms. Ablation studies reveal that topological encoding serves as indispensable structural information in the absence of historical states, explicitly guiding hydraulic connectivity and network-scale mass redistribution to reconstruct flow dynamics. Furthermore, when adapted locally via a pre-training and fine-tuning strategy, GRC consistently outperforms physics-based and locally-trained AI baselines. Crucially, this superiority extends from gauged reaches to full river networks, underscoring the necessity of topology encoding and physics-based pre-training. Built on a physics-aligned neural operator architecture, GRC enables rapid and cross-scale adaptive simulation, establishing a collaborative paradigm bridging global hydrodynamic knowledge with local hydrological reality.

  • 14 authors
·
Feb 24

CLOUD: A Scalable and Physics-Informed Foundation Model for Crystal Representation Learning

The prediction of crystal properties is essential for understanding structure-property relationships and accelerating the discovery of functional materials. However, conventional approaches relying on experimental measurements or density functional theory (DFT) calculations are often resource-intensive, limiting their scalability. Machine learning (ML) models offer a promising alternative by learning complex structure-property relationships from data, enabling faster predictions. Yet, existing ML models often rely on labeled data, adopt representations that poorly capture essential structural characteristics, and lack integration with physical principles--factors that limit their generalizability and interpretability. Here, we introduce CLOUD (Crystal Language mOdel for Unified and Differentiable materials modeling), a transformer-based framework trained on a novel Symmetry-Consistent Ordered Parameter Encoding (SCOPE) that encodes crystal symmetry, Wyckoff positions, and composition in a compact, coordinate-free string representation. Pre-trained on over six million crystal structures, CLOUD is fine-tuned on multiple downstream tasks and achieves competitive performance in predicting a wide range of material properties, demonstrating strong scaling performance. Furthermore, as proof of concept of differentiable materials modeling, CLOUD is applied to predict the phonon internal energy and heat capacity, which integrates the Debye model to preserve thermodynamic consistency. The CLOUD-DEBYE framework enforces thermodynamic consistency and enables temperature-dependent property prediction without requiring additional data. These results demonstrate the potential of CLOUD as a scalable and physics-informed foundation model for crystalline materials, unifying symmetry-consistent representations with physically grounded learning for property prediction and materials discovery.

  • 3 authors
·
Jun 18, 2025

SurGBSA: Learning Representations From Molecular Dynamics Simulations

Self-supervised pretraining from static structures of drug-like compounds and proteins enable powerful learned feature representations. Learned features demonstrate state of the art performance on a range of predictive tasks including molecular properties, structure generation, and protein-ligand interactions. The majority of approaches are limited by their use of static structures and it remains an open question, how best to use atomistic molecular dynamics (MD) simulations to develop more generalized models to improve prediction accuracy for novel molecular structures. We present SURrogate mmGBSA (SurGBSA) as a new modeling approach for MD-based representation learning, which learns a surrogate function of the Molecular Mechanics Generalized Born Surface Area (MMGBSA). We show for the first time the benefits of physics-informed pre-training to train a surrogate MMGBSA model on a collection of over 1.4 million 3D trajectories collected from MD simulations of the CASF-2016 benchmark. SurGBSA demonstrates a dramatic 27,927x speedup versus a traditional physics-based single-point MMGBSA calculation while nearly matching single-point MMGBSA accuracy on the challenging pose ranking problem for identification of the correct top pose (-0.4% difference). Our work advances the development of molecular foundation models by showing model improvements when training on MD simulations. Models, code and training data are made publicly available.

  • 6 authors
·
Sep 3, 2025

Mamba Integrated with Physics Principles Masters Long-term Chaotic System Forecasting

Long-term forecasting of chaotic systems from short-term observations remains a fundamental and underexplored challenge due to the intrinsic sensitivity to initial conditions and the complex geometry of strange attractors. Existing approaches often rely on long-term training data or focus on short-term sequence correlations, struggling to maintain predictive stability and dynamical coherence over extended horizons. We propose PhyxMamba, a novel framework that integrates a Mamba-based state-space model with physics-informed principles to capture the underlying dynamics of chaotic systems. By reconstructing the attractor manifold from brief observations using time-delay embeddings, PhyxMamba extracts global dynamical features essential for accurate forecasting. Our generative training scheme enables Mamba to replicate the physical process, augmented by multi-token prediction and attractor geometry regularization for physical constraints, enhancing prediction accuracy and preserving key statistical invariants. Extensive evaluations on diverse simulated and real-world chaotic systems demonstrate that PhyxMamba delivers superior long-term forecasting and faithfully captures essential dynamical invariants from short-term data. This framework opens new avenues for reliably predicting chaotic systems under observation-scarce conditions, with broad implications across climate science, neuroscience, epidemiology, and beyond. Our code is open-source at https://github.com/tsinghua-fib-lab/PhyxMamba.

  • 5 authors
·
May 29, 2025

A protocol for evaluating robustness to H&E staining variation in computational pathology models

Sensitivity to staining variation remains a major barrier to deploying computational pathology (CPath) models as hematoxylin and eosin (H&E) staining varies across laboratories, requiring systematic assessment of how this variability affects model prediction. In this work, we developed a three-step protocol for evaluating robustness to H&E staining variation in CPath models. Step 1: Select reference staining conditions, Step 2: Characterize test set staining properties, Step 3: Apply CPath model(s) under simulated reference staining conditions. Here, we first created a new reference staining library based on the PLISM dataset. As an exemplary use case, we applied the protocol to assess the robustness properties of 306 microsatellite instability (MSI) classification models on the unseen SurGen colorectal cancer dataset (n=738), including 300 attention-based multiple instance learning models trained on the TCGA-COAD/READ datasets across three feature extractors (UNI2-h, H-Optimus-1, Virchow2), alongside six public MSI classification models. Classification performance was measured as AUC, and robustness as the min-max AUC range across four simulated staining conditions (low/high H&E intensity, low/high H&E color similarity). Across models and staining conditions, classification performance ranged from AUC 0.769-0.911 (Δ = 0.142). Robustness ranged from 0.007-0.079 (Δ = 0.072), and showed a weak inverse correlation with classification performance (Pearson r=-0.22, 95% CI [-0.34, -0.11]). Thus, we show that the proposed evaluation protocol enables robustness-informed CPath model selection and provides insight into performance shifts across H&E staining conditions, supporting the identification of operational ranges for reliable model deployment. Code is available at https://github.com/CTPLab/staining-robustness-evaluation .

  • 8 authors
·
Mar 13

EgoGrasp: World-Space Hand-Object Interaction Estimation from Egocentric Videos

We propose EgoGrasp, the first method to reconstruct world-space hand-object interactions (W-HOI) from dynamic egoview videos, supporting open-vocabulary objects. Accurate W-HOI reconstruction is critical for embodied intelligence yet remains challenging. Existing HOI methods are largely restricted to local camera coordinates or single frames, failing to capture global temporal dynamics. While some recent approaches attempt world-space hand estimation, they overlook object poses and HOI constraints. Moreover, previous HOI estimation methods either fail to handle open-set categories due to their reliance on object templates or employ differentiable rendering that requires per-instance optimization, resulting in prohibitive computational costs. Finally, frequent occlusions in egocentric videos severely degrade performance. To overcome these challenges, we propose a multi-stage framework: (i) a robust pre-processing pipeline leveraging vision foundation models for initial 3D scene, hand and object reconstruction; (ii) a body-guided diffusion model that incorporates explicit egocentric body priors for hand pose estimation; and (iii) an HOI-prior-informed diffusion model for hand-aware 6DoF pose infilling, ensuring physically plausible and temporally consistent W-HOI estimation. We experimentally demonstrate that EgoGrasp can achieve state-of-the-art performance in W-HOI reconstruction, handling multiple and open vocabulary objects robustly.

  • 8 authors
·
Mar 12

A Deep Learning Model of Mental Rotation Informed by Interactive VR Experiments

Mental rotation -- the ability to compare objects seen from different viewpoints -- is a fundamental example of mental simulation and spatial world modelling in humans. Here we propose a mechanistic model of human mental rotation, leveraging advances in deep, equivariant, and neuro-symbolic learning. Our model consists of three stacked components: (1) an equivariant neural encoder, taking images as input and producing 3D spatial representations of objects, (2) a neuro-symbolic object encoder, deriving symbolic descriptions of objects from these spatial representations, and (3) a neural decision agent, comparing these symbolic descriptions to prescribe rotation simulations in 3D latent space via a recurrent pathway. Our model design is guided by the abundant experimental literature on mental rotation, which we complemented with experiments in VR where participants could at times manipulate the objects to compare, providing us with additional insights into the cognitive process of mental rotation. Our model captures well the performance, response times and behavior of participants in our and others' experiments. The necessity of each model component is shown through systematic ablations. Our work adds to a recent collection of deep neural models of human spatial reasoning, further demonstrating the potency of integrating deep, equivariant, and symbolic representations to model the human mind.

  • 5 authors
·
Dec 15, 2025

WINA: Weight Informed Neuron Activation for Accelerating Large Language Model Inference

The growing computational demands of large language models (LLMs) make efficient inference and activation strategies increasingly critical. While recent approaches, such as Mixture-of-Experts (MoE), leverage selective activation but require specialized training, training-free sparse activation methods offer broader applicability and superior resource efficiency through their plug-and-play design. However, many existing methods rely solely on hidden state magnitudes to determine activation, resulting in high approximation errors and suboptimal inference accuracy. To address these limitations, we propose WINA (Weight Informed Neuron Activation), a novel, simple, and training-free sparse activation framework that jointly considers hidden state magnitudes and the column-wise ell_2-norms of weight matrices. We show that this leads to a sparsification strategy that obtains optimal approximation error bounds with theoretical guarantees tighter than existing techniques. Empirically, WINA also outperforms state-of-the-art methods (e.g., TEAL) by up to 2.94% in average performance at the same sparsity levels, across a diverse set of LLM architectures and datasets. These results position WINA as a new performance frontier for training-free sparse activation in LLM inference, advancing training-free sparse activation methods and setting a robust baseline for efficient inference. The source code is available at https://github.com/microsoft/wina.

  • 7 authors
·
May 25, 2025 2

GeoDrive: 3D Geometry-Informed Driving World Model with Precise Action Control

Recent advancements in world models have revolutionized dynamic environment simulation, allowing systems to foresee future states and assess potential actions. In autonomous driving, these capabilities help vehicles anticipate the behavior of other road users, perform risk-aware planning, accelerate training in simulation, and adapt to novel scenarios, thereby enhancing safety and reliability. Current approaches exhibit deficiencies in maintaining robust 3D geometric consistency or accumulating artifacts during occlusion handling, both critical for reliable safety assessment in autonomous navigation tasks. To address this, we introduce GeoDrive, which explicitly integrates robust 3D geometry conditions into driving world models to enhance spatial understanding and action controllability. Specifically, we first extract a 3D representation from the input frame and then obtain its 2D rendering based on the user-specified ego-car trajectory. To enable dynamic modeling, we propose a dynamic editing module during training to enhance the renderings by editing the positions of the vehicles. Extensive experiments demonstrate that our method significantly outperforms existing models in both action accuracy and 3D spatial awareness, leading to more realistic, adaptable, and reliable scene modeling for safer autonomous driving. Additionally, our model can generalize to novel trajectories and offers interactive scene editing capabilities, such as object editing and object trajectory control.

  • 8 authors
·
May 28, 2025 3

Towards Foundation Model for Chemical Reactor Modeling: Meta-Learning with Physics-Informed Adaptation

Developing accurate models for chemical reactors is often challenging due to the complexity of reaction kinetics and process dynamics. Traditional approaches require retraining models for each new system, limiting generalizability and efficiency. In this work, we take a step toward foundation models for chemical reactor modeling by introducing a neural network framework that generalizes across diverse reactor types and rapidly adapts to new chemical processes. Our approach leverages meta-learning to pretrain the model on a broad set of reactor dynamics, enabling efficient adaptation to unseen reactions with minimal data. To further enhance generalizability, we incorporate physics-informed fine-tuning, ensuring physically consistent adaptation to new reactor conditions. Our framework is evaluated across three integer-order fundamental reactor types - continuous stirred tank reactors, batch reactors, and plug flow reactors - demonstrating superior few-shot adaptation compared to conventional data-driven, physics-informed, and transfer learning approaches. By combining meta-learning with physics-informed adaptation, this work lays the foundation for a generalizable modeling framework, advancing the development of foundation models for chemical engineering applications. Source code is available at https://github.com/killingbear999/chemical-reactor-foundation-model.

  • 2 authors
·
May 19, 2024

EchoPrime: A Multi-Video View-Informed Vision-Language Model for Comprehensive Echocardiography Interpretation

Echocardiography is the most widely used cardiac imaging modality, capturing ultrasound video data to assess cardiac structure and function. Artificial intelligence (AI) in echocardiography has the potential to streamline manual tasks and improve reproducibility and precision. However, most echocardiography AI models are single-view, single-task systems that do not synthesize complementary information from multiple views captured during a full exam, and thus lead to limited performance and scope of applications. To address this problem, we introduce EchoPrime, a multi-view, view-informed, video-based vision-language foundation model trained on over 12 million video-report pairs. EchoPrime uses contrastive learning to train a unified embedding model for all standard views in a comprehensive echocardiogram study with representation of both rare and common diseases and diagnoses. EchoPrime then utilizes view-classification and a view-informed anatomic attention model to weight video-specific interpretations that accurately maps the relationship between echocardiographic views and anatomical structures. With retrieval-augmented interpretation, EchoPrime integrates information from all echocardiogram videos in a comprehensive study and performs holistic comprehensive clinical echocardiography interpretation. In datasets from two independent healthcare systems, EchoPrime achieves state-of-the art performance on 23 diverse benchmarks of cardiac form and function, surpassing the performance of both task-specific approaches and prior foundation models. Following rigorous clinical evaluation, EchoPrime can assist physicians in the automated preliminary assessment of comprehensive echocardiography.

  • 8 authors
·
Oct 12, 2024 5

Physics-informed Reduced Order Modeling of Time-dependent PDEs via Differentiable Solvers

Reduced-order modeling (ROM) of time-dependent and parameterized differential equations aims to accelerate the simulation of complex high-dimensional systems by learning a compact latent manifold representation that captures the characteristics of the solution fields and their time-dependent dynamics. Although high-fidelity numerical solvers generate the training datasets, they have thus far been excluded from the training process, causing the learned latent dynamics to drift away from the discretized governing physics. This mismatch often limits generalization and forecasting capabilities. In this work, we propose Physics-informed ROM (Φ-ROM) by incorporating differentiable PDE solvers into the training procedure. Specifically, the latent space dynamics and its dependence on PDE parameters are shaped directly by the governing physics encoded in the solver, ensuring a strong correspondence between the full and reduced systems. Our model outperforms state-of-the-art data-driven ROMs and other physics-informed strategies by accurately generalizing to new dynamics arising from unseen parameters, enabling long-term forecasting beyond the training horizon, maintaining continuity in both time and space, and reducing the data cost. Furthermore, Φ-ROM learns to recover and forecast the solution fields even when trained or evaluated with sparse and irregular observations of the fields, providing a flexible framework for field reconstruction and data assimilation. We demonstrate the framework's robustness across various PDE solvers and highlight its broad applicability by providing an open-source JAX implementation that is readily extensible to other PDE systems and differentiable solvers, available at https://phi-rom.github.io.

  • 4 authors
·
May 20, 2025

Physics-informed cluster analysis and a priori efficiency criterion for the construction of local reduced-order bases

Nonlinear model order reduction has opened the door to parameter optimization and uncertainty quantification in complex physics problems governed by nonlinear equations. In particular, the computational cost of solving these equations can be reduced by means of local reduced-order bases. This article examines the benefits of a physics-informed cluster analysis for the construction of cluster-specific reduced-order bases. We illustrate that the choice of the dissimilarity measure for clustering is fundamental and highly affects the performances of the local reduced-order bases. It is shown that clustering with an angle-based dissimilarity on simulation data efficiently decreases the intra-cluster Kolmogorov N-width. Additionally, an a priori efficiency criterion is introduced to assess the relevance of a ROM-net, a methodology for the reduction of nonlinear physics problems introduced in our previous work in [T. Daniel, F. Casenave, N. Akkari, D. Ryckelynck, Model order reduction assisted by deep neural networks (ROM-net), Advanced Modeling and Simulation in Engineering Sciences 7 (16), 2020]. This criterion also provides engineers with a very practical method for ROM-nets' hyperparameters calibration under constrained computational costs for the training phase. On five different physics problems, our physics-informed clustering strategy significantly outperforms classic strategies for the construction of local reduced-order bases in terms of projection errors.

  • 5 authors
·
Mar 25, 2021

Gravity-Informed Deep Learning Framework for Predicting Ship Traffic Flow and Invasion Risk of Non-Indigenous Species via Ballast Water Discharge

Invasive species in water bodies pose a major threat to the environment and biodiversity globally. Due to increased transportation and trade, non-native species have been introduced to new environments, causing damage to ecosystems and leading to economic losses in agriculture, forestry, and fisheries. Therefore, there is a pressing need for risk assessment and management techniques to mitigate the impact of these invasions. This study aims to develop a new physics-inspired model to forecast maritime shipping traffic and thus inform risk assessment of invasive species spread through global transportation networks. Inspired by the gravity model for international trades, our model considers various factors that influence the likelihood and impact of vessel activities, such as shipping flux density, distance between ports, trade flow, and centrality measures of transportation hubs. Additionally, by analyzing the risk network of invasive species, we provide a comprehensive framework for assessing the invasion threat level given a pair of origin and destination. Accordingly, this paper introduces transformers to gravity models to rebuild the short- and long-term dependencies that make the risk analysis feasible. Thus, we introduce a physics-inspired framework that achieves an 89% segmentation accuracy for existing and non-existing trajectories and an 84.8% accuracy for the number of vessels flowing between key port areas, representing more than 10% improvement over the traditional deep-gravity model. Along these lines, this research contributes to a better understanding of invasive species risk assessment. It allows policymakers, conservationists, and stakeholders to prioritize management actions by identifying high-risk invasion pathways. Besides, our model is versatile and can include new data sources, making it suitable for assessing species invasion risks in a changing global landscape.

  • 6 authors
·
Jan 23, 2024

DISGAN: Wavelet-informed Discriminator Guides GAN to MRI Super-resolution with Noise Cleaning

MRI super-resolution (SR) and denoising tasks are fundamental challenges in the field of deep learning, which have traditionally been treated as distinct tasks with separate paired training data. In this paper, we propose an innovative method that addresses both tasks simultaneously using a single deep learning model, eliminating the need for explicitly paired noisy and clean images during training. Our proposed model is primarily trained for SR, but also exhibits remarkable noise-cleaning capabilities in the super-resolved images. Instead of conventional approaches that introduce frequency-related operations into the generative process, our novel approach involves the use of a GAN model guided by a frequency-informed discriminator. To achieve this, we harness the power of the 3D Discrete Wavelet Transform (DWT) operation as a frequency constraint within the GAN framework for the SR task on magnetic resonance imaging (MRI) data. Specifically, our contributions include: 1) a 3D generator based on residual-in-residual connected blocks; 2) the integration of the 3D DWT with 1times 1 convolution into a DWT+conv unit within a 3D Unet for the discriminator; 3) the use of the trained model for high-quality image SR, accompanied by an intrinsic denoising process. We dub the model "Denoising Induced Super-resolution GAN (DISGAN)" due to its dual effects of SR image generation and simultaneous denoising. Departing from the traditional approach of training SR and denoising tasks as separate models, our proposed DISGAN is trained only on the SR task, but also achieves exceptional performance in denoising. The model is trained on 3D MRI data from dozens of subjects from the Human Connectome Project (HCP) and further evaluated on previously unseen MRI data from subjects with brain tumours and epilepsy to assess its denoising and SR performance.

  • 6 authors
·
Aug 23, 2023

HILGEN: Hierarchically-Informed Data Generation for Biomedical NER Using Knowledgebases and Large Language Models

We present HILGEN, a Hierarchically-Informed Data Generation approach that combines domain knowledge from the Unified Medical Language System (UMLS) with synthetic data generated by large language models (LLMs), specifically GPT-3.5. Our approach leverages UMLS's hierarchical structure to expand training data with related concepts, while incorporating contextual information from LLMs through targeted prompts aimed at automatically generating synthetic examples for sparsely occurring named entities. The performance of the HILGEN approach was evaluated across four biomedical NER datasets (MIMIC III, BC5CDR, NCBI-Disease, and Med-Mentions) using BERT-Large and DANN (Data Augmentation with Nearest Neighbor Classifier) models, applying various data generation strategies, including UMLS, GPT-3.5, and their best ensemble. For the BERT-Large model, incorporating UMLS led to an average F1 score improvement of 40.36%, while using GPT-3.5 resulted in a comparable average increase of 40.52%. The Best-Ensemble approach using BERT-Large achieved the highest improvement, with an average increase of 42.29%. DANN model's F1 score improved by 22.74% on average using the UMLS-only approach. The GPT-3.5-based method resulted in a 21.53% increase, and the Best-Ensemble DANN model showed a more notable improvement, with an average increase of 25.03%. Our proposed HILGEN approach improves NER performance in few-shot settings without requiring additional manually annotated data. Our experiments demonstrate that an effective strategy for optimizing biomedical NER is to combine biomedical knowledge curated in the past, such as the UMLS, and generative LLMs to create synthetic training instances. Our future research will focus on exploring additional innovative synthetic data generation strategies for further improving NER performance.

  • 6 authors
·
Mar 6, 2025

PIG: Physics-Informed Gaussians as Adaptive Parametric Mesh Representations

The approximation of Partial Differential Equations (PDEs) using neural networks has seen significant advancements through Physics-Informed Neural Networks (PINNs). Despite their straightforward optimization framework and flexibility in implementing various PDEs, PINNs often suffer from limited accuracy due to the spectral bias of Multi-Layer Perceptrons (MLPs), which struggle to effectively learn high-frequency and non-linear components. Recently, parametric mesh representations in combination with neural networks have been investigated as a promising approach to eliminate the inductive biases of neural networks. However, they usually require very high-resolution grids and a large number of collocation points to achieve high accuracy while avoiding overfitting issues. In addition, the fixed positions of the mesh parameters restrict their flexibility, making it challenging to accurately approximate complex PDEs. To overcome these limitations, we propose Physics-Informed Gaussians (PIGs), which combine feature embeddings using Gaussian functions with a lightweight neural network. Our approach uses trainable parameters for the mean and variance of each Gaussian, allowing for dynamic adjustment of their positions and shapes during training. This adaptability enables our model to optimally approximate PDE solutions, unlike models with fixed parameter positions. Furthermore, the proposed approach maintains the same optimization framework used in PINNs, allowing us to benefit from their excellent properties. Experimental results show the competitive performance of our model across various PDEs, demonstrating its potential as a robust tool for solving complex PDEs. Our project page is available at https://namgyukang.github.io/Physics-Informed-Gaussians/

  • 4 authors
·
Dec 8, 2024 2

AgentTTS: Large Language Model Agent for Test-time Compute-optimal Scaling Strategy in Complex Tasks

Test-time scaling (TTS) enhances the performance of large language models (LLMs) by allocating additional compute resources during inference. However, existing research primarily investigates TTS in single-stage tasks; while many real-world problems are multi-stage complex tasks, composed of a sequence of heterogeneous subtasks with each subtask requires LLM of specific capability. Therefore, we study a novel problem: the test-time compute-optimal scaling in multi-stage complex tasks, aiming to select suitable models and allocate budgets per subtask to maximize overall performance. TTS in multi-stage tasks introduces two fundamental challenges: (i) The combinatorial search space of model and budget allocations, combined with the high cost of inference, makes brute-force search impractical. (ii) The optimal model and budget allocations across subtasks are interdependent, increasing the complexity of the compute-optimal search. To address this gap, we conduct extensive pilot experiments on four tasks across six datasets, deriving three empirical insights characterizing the behavior of LLMs in multi-stage complex tasks. Informed by these insights, we propose AgentTTS, an LLM-agent-based framework that autonomously searches for compute-optimal allocations through iterative feedback-driven interactions with the execution environment. Experimental results demonstrate that AgentTTS significantly outperforms traditional and other LLM-based baselines in search efficiency, and shows improved robustness to varying training set sizes and enhanced interpretability.

  • 11 authors
·
Jul 26, 2025 2

ReViSE: Towards Reason-Informed Video Editing in Unified Models with Self-Reflective Learning

Video unified models exhibit strong capabilities in understanding and generation, yet they struggle with reason-informed visual editing even when equipped with powerful internal vision-language models (VLMs). We attribute this gap to two factors: 1) existing datasets are inadequate for training and evaluating reasoning-aware video editing, and 2) an inherent disconnect between the models' reasoning and editing capabilities, which prevents the rich understanding from effectively instructing the editing process. Bridging this gap requires an integrated framework that connects reasoning with visual transformation. To address this gap, we introduce the Reason-Informed Video Editing (RVE) task, which requires reasoning about physical plausibility and causal dynamics during editing. To support systematic evaluation, we construct RVE-Bench, a comprehensive benchmark with two complementary subsets: Reasoning-Informed Video Editing and In-Context Video Generation. These subsets cover diverse reasoning dimensions and real-world editing scenarios. Building upon this foundation, we propose the ReViSE, a Self-Reflective Reasoning (SRF) framework that unifies generation and evaluation within a single architecture. The model's internal VLM provides intrinsic feedback by assessing whether the edited video logically satisfies the given instruction. The differential feedback that refines the generator's reasoning behavior during training. Extensive experiments on RVE-Bench demonstrate that ReViSE significantly enhances editing accuracy and visual fidelity, achieving a 32% improvement of the Overall score in the reasoning-informed video editing subset over state-of-the-art methods.

  • 12 authors
·
Dec 10, 2025 2

Physics-Informed Image Restoration via Progressive PDE Integration

Motion blur, caused by relative movement between camera and scene during exposure, significantly degrades image quality and impairs downstream computer vision tasks such as object detection, tracking, and recognition in dynamic environments. While deep learning-based motion deblurring methods have achieved remarkable progress, existing approaches face fundamental challenges in capturing the long-range spatial dependencies inherent in motion blur patterns. Traditional convolutional methods rely on limited receptive fields and require extremely deep networks to model global spatial relationships. These limitations motivate the need for alternative approaches that incorporate physical priors to guide feature evolution during restoration. In this paper, we propose a progressive training framework that integrates physics-informed PDE dynamics into state-of-the-art restoration architectures. By leveraging advection-diffusion equations to model feature evolution, our approach naturally captures the directional flow characteristics of motion blur while enabling principled global spatial modeling. Our PDE-enhanced deblurring models achieve superior restoration quality with minimal overhead, adding only approximately 1\% to inference GMACs while providing consistent improvements in perceptual quality across multiple state-of-the-art architectures. Comprehensive experiments on standard motion deblurring benchmarks demonstrate that our physics-informed approach improves PSNR and SSIM significantly across four diverse architectures, including FFTformer, NAFNet, Restormer, and Stripformer. These results validate that incorporating mathematical physics principles through PDE-based global layers can enhance deep learning-based image restoration, establishing a promising direction for physics-informed neural network design in computer vision applications.

  • 3 authors
·
Nov 9, 2025

Fatigue-PINN: Physics-Informed Fatigue-Driven Motion Modulation and Synthesis

Fatigue modeling is essential for motion synthesis tasks to model human motions under fatigued conditions and biomechanical engineering applications, such as investigating the variations in movement patterns and posture due to fatigue, defining injury risk mitigation and prevention strategies, formulating fatigue minimization schemes and creating improved ergonomic designs. Nevertheless, employing data-driven methods for synthesizing the impact of fatigue on motion, receives little to no attention in the literature. In this work, we present Fatigue-PINN, a deep learning framework based on Physics-Informed Neural Networks, for modeling fatigued human movements, while providing joint-specific fatigue configurations for adaptation and mitigation of motion artifacts on a joint level, resulting in more realistic animations. To account for muscle fatigue, we simulate the fatigue-induced fluctuations in the maximum exerted joint torques by leveraging a PINN adaptation of the Three-Compartment Controller model to exploit physics-domain knowledge for improving accuracy. This model also introduces parametric motion alignment with respect to joint-specific fatigue, hence avoiding sharp frame transitions. Our results indicate that Fatigue-PINN accurately simulates the effects of externally perceived fatigue on open-type human movements being consistent with findings from real-world experimental fatigue studies. Since fatigue is incorporated in torque space, Fatigue-PINN provides an end-to-end encoder-decoder-like architecture, to ensure transforming joint angles to joint torques and vice-versa, thus, being compatible with motion synthesis frameworks operating on joint angles.

  • 2 authors
·
Feb 26, 2025

Medical World Model: Generative Simulation of Tumor Evolution for Treatment Planning

Providing effective treatment and making informed clinical decisions are essential goals of modern medicine and clinical care. We are interested in simulating disease dynamics for clinical decision-making, leveraging recent advances in large generative models. To this end, we introduce the Medical World Model (MeWM), the first world model in medicine that visually predicts future disease states based on clinical decisions. MeWM comprises (i) vision-language models to serve as policy models, and (ii) tumor generative models as dynamics models. The policy model generates action plans, such as clinical treatments, while the dynamics model simulates tumor progression or regression under given treatment conditions. Building on this, we propose the inverse dynamics model that applies survival analysis to the simulated post-treatment tumor, enabling the evaluation of treatment efficacy and the selection of the optimal clinical action plan. As a result, the proposed MeWM simulates disease dynamics by synthesizing post-treatment tumors, with state-of-the-art specificity in Turing tests evaluated by radiologists. Simultaneously, its inverse dynamics model outperforms medical-specialized GPTs in optimizing individualized treatment protocols across all metrics. Notably, MeWM improves clinical decision-making for interventional physicians, boosting F1-score in selecting the optimal TACE protocol by 13%, paving the way for future integration of medical world models as the second readers.

  • 11 authors
·
Jun 2, 2025 2

PanGu-$π$: Enhancing Language Model Architectures via Nonlinearity Compensation

The recent trend of large language models (LLMs) is to increase the scale of both model size (\aka the number of parameters) and dataset to achieve better generative ability, which is definitely proved by a lot of work such as the famous GPT and Llama. However, large models often involve massive computational costs, and practical applications cannot afford such high prices. However, the method of constructing a strong model architecture for LLMs is rarely discussed. We first analyze the state-of-the-art language model architectures and observe the feature collapse problem. Based on the theoretical analysis, we propose that the nonlinearity is also very important for language models, which is usually studied in convolutional neural networks for vision tasks. The series informed activation function is then introduced with tiny calculations that can be ignored, and an augmented shortcut is further used to enhance the model nonlinearity. We then demonstrate that the proposed approach is significantly effective for enhancing the model nonlinearity through carefully designed ablations; thus, we present a new efficient model architecture for establishing modern, namely, PanGu-pi. Experiments are then conducted using the same dataset and training strategy to compare PanGu-pi with state-of-the-art LLMs. The results show that PanGu-pi-7B can achieve a comparable performance to that of benchmarks with about 10\% inference speed-up, and PanGu-pi-1B can achieve state-of-the-art performance in terms of accuracy and efficiency. In addition, we have deployed PanGu-pi-7B in the high-value domains of finance and law, developing an LLM named YunShan for practical application. The results show that YunShan can surpass other models with similar scales on benchmarks.

  • 20 authors
·
Dec 27, 2023 1

Chronos: A Physics-Informed Full-History Framework for Non-Markovian Long-Horizon Manipulation

General-purpose robot policies should be modeled as dynamical systems, yet many VLA and generative imitation policies still rely on present observations or short windows. This Markovian shortcut fails in memory-dependent manipulation: identical observations can demand different actions after different histories. We present Chronos, a physics-informed full-history framework for non-Markovian long-horizon manipulation. The key idea is to elevate observation history from auxiliary context to the latent state of the policy dynamics. At each physical control step, Chronos forms one state-representative token by fusing observation and proprioception, so the token sequence is aligned one-to-one with physical time. A selective state space model propagates this causal historical state, which conditions a multimodal coarse action prior through implicit maximum likelihood estimation (IMLE). This prior is then refined by a second-order Schrodinger-inspired bridge that predicts acceleration fields, yielding smoother and more physically grounded robot motion. Across 16 simulated tasks and 4 real-world experiments, Chronos is evaluated on precision insertion, general manipulation, and memory-dependent long-horizon control. On RMBench, where success requires remembering task phase, Chronos achieves 73.6% average success, outperforming Markovian VLA baseline pi0.5 by +62.4 percentage points, a 6.6x relative gain, while using 10x fewer parameters. It also surpasses the memory VLA Mem-0 by 22.8 points while using over 30x fewer parameters. In real-world dual-arm experiments using a single RGB camera, Chronos achieves 78% average success over four tasks, including 72% on the three memory-dependent tasks, whereas pi0.5 achieves 7% overall and 0% on the memory-dependent subset. These results suggest that history should not be treated as auxiliary context, but as the latent state of the manipulation policy.

  • 12 authors
·
Jun 28

Domain-Informed Multi-View Self-Distillation for Astronomical Light-Curve Representation Learning with JEPA

Light curves describe temporal variations in the brightness of celestial objects. Learning robust representations of light curves is essential for large-scale automatic discovery in the dynamic universe, but existing time-series foundation models often struggle with the uneven sampling, complex noise, and wide range of physical timescales that characterize astronomical observations. We propose a domain-informed representation learning framework for irregular astronomical time series with Joint-Embedding predictive architecture (JEPA), combining semantics-preserving views, uncertainty-aware tokenization, and multi-view self-distillation. The encoders are trained with multi-view self-distillation using LeJEPA regularization on the LEAVES dataset and evaluated on the StarEmbed classification benchmark. On StarEmbed, our model outperforms hand-crafted features on 15 of 16 classification metrics. In few-shot linear probing, it achieves macro-F1 scores of 42.56 pm 7.21 with one sample per class and 63.58 pm 1.20 with 100 samples per class, consistently improving over hand-crafted features. Beyond variable-star classification, the learned representation supports similarity search, parameter estimation, and photometric zero-point drift detection. We further evaluate cross-domain adaptation on 12 heterogeneous irregular time-series datasets from PYRREGULAR, where the adapted variant matches or exceeds previous state-of-the-art performance on 5 datasets, compared with at most 3 wins by any single prior baseline. These results demonstrate that domain-informed multi-view self-distillation is an effective strategy for learning representations of irregular time series, while also highlighting that successful time-series representation learning requires domain-specific inductive biases rather than a universally optimal architecture.

  • 1 authors
·
Jun 25

TIAR: Trajectory-Informed Advantage Reweighting for LLM Abstention Learning

This paper investigates large language model (LLM) abstention learning, specifically using ternary reward, which incentivize truthfulness in large language models. This paper extends that idea by moving from a ternary reward to a Trajectory-Informed advantage reweighting, dynamically re-weights the abstention reward during Group Relative Policy Optimization (GRPO) training. The objective of this work focuses on abstention learning instead of improving truthfulness, serving as an exploration into hallucination reduction. The novelty of this paper lies in methodological innovation, advantage re-weighting, and benchmark selection. Leveraging GRPO's multiple trajectories as a natural abstention signal, this method uses a reward signal to explore knowledge boundaries and encourage consistency. By demonstrating that trajectories can be used as a confidence indicator of the policy relative to the query, they are then used to dynamically calculate the abstention advantage. AbstentionBench is used as the evaluation benchmark, as this work aims to contribute to the field of abstention learning. All datasets on the benchmark were tested against this method and various baselines. Empirical results demonstrate that TIAR achieves state-of-the-art abstention F1 scores across five of six evaluation categories, outperforming the static ternary baseline on 17 of 31 benchmark datasets while fully preserving baseline accuracy.

  • 7 authors
·
May 24

BaRISTA: Brain Scale Informed Spatiotemporal Representation of Human Intracranial Neural Activity

Intracranial recordings have opened a unique opportunity to simultaneously measure activity across multiregional networks in the human brain. Recent works have focused on developing transformer-based neurofoundation models of such recordings that can generalize across subjects and datasets. However, these recordings exhibit highly complex spatiotemporal interactions across diverse spatial scales, from the single-channel scale to the scale of brain regions. As such, there remain critical open questions regarding how best to encode spatial information and how to design self-supervision tasks that enable the learning of brain network patterns and enhance downstream decoding performance using such high-dimensional, multiregional recordings. To allow for exploring these questions, we propose a new spatiotemporal transformer model of multiregional neural activity and a corresponding self-supervised masked latent reconstruction task, designed to enable flexibility in the spatial scale used for token encoding and masking. Applying this model on publicly available multiregional intracranial electrophysiology (iEEG) data, we demonstrate that adjusting the spatial scale for both token encoding and masked reconstruction significantly impacts downstream decoding. Further, we find that spatial encoding at larger scales than channel-level encoding, which is commonly used in existing iEEG transformer models, improves downstream decoding performance. Finally, we demonstrate that our method allows for region-level token encoding while also maintaining accurate channel-level neural reconstruction. Taken together, our modeling framework enables exploration of the spatial scales used for token encoding and masking, reveals their importance towards self-supervised pretraining of neurofoundation models of multiregional human brain activity, and enhances downstream decoding performance.

  • 3 authors
·
Dec 12, 2025

OrthoDoc: Multimodal Large Language Model for Assisting Diagnosis in Computed Tomography

Multimodal large language models (MLLMs) have achieved significant success in the general field of image processing. Their emerging task generalization and freeform conversational capabilities can greatly facilitate medical diagnostic assistance, helping patients better understand their conditions and enhancing doctor-patient trust. Computed Tomography (CT) is a non-invasive imaging technique used to capture the internal mechanisms of a patient's condition and is widely utilized. However, in past research, the complex textural features of this imaging data have made accurate interpretation by algorithms challenging, impeding the performance of general LLMs in diagnostic assistance. To address this, we developed OrthoDoc, a MLLM designed for CT diagnostics. OrthoDoc is trained on 120,000 CT images and diagnostic reports and includes a Retrieval-Augmented Generation (RAG) module capable of effectively mitigating model hallucinations. This module is informed by extensive medical literature, textbooks, and explanatory data. Thus, OrthoDoc not only processes complex CT images but also stores, understands, and reasons over medical knowledge and language. In extensive experiments, OrthoDoc outperforms commercial models led by GPT-4, demonstrating superior diagnostic capabilities and accuracy. Specifically, OrthoDoc significantly surpasses existing models in the diagnosis of common orthopedic conditions such as fractures, arthritis, and tumors. Additionally, OrthoDoc exhibits robust generalization and stability when handling rare and complex cases.

  • 2 authors
·
Aug 30, 2024

One-hot Generalized Linear Model for Switching Brain State Discovery

Exposing meaningful and interpretable neural interactions is critical to understanding neural circuits. Inferred neural interactions from neural signals primarily reflect functional interactions. In a long experiment, subject animals may experience different stages defined by the experiment, stimuli, or behavioral states, and hence functional interactions can change over time. To model dynamically changing functional interactions, prior work employs state-switching generalized linear models with hidden Markov models (i.e., HMM-GLMs). However, we argue they lack biological plausibility, as functional interactions are shaped and confined by the underlying anatomical connectome. Here, we propose a novel prior-informed state-switching GLM. We introduce both a Gaussian prior and a one-hot prior over the GLM in each state. The priors are learnable. We will show that the learned prior should capture the state-constant interaction, shedding light on the underlying anatomical connectome and revealing more likely physical neuron interactions. The state-dependent interaction modeled by each GLM offers traceability to capture functional variations across multiple brain states. Our methods effectively recover true interaction structures in simulated data, achieve the highest predictive likelihood with real neural datasets, and render interaction structures and hidden states more interpretable when applied to real neural data.

  • 5 authors
·
Oct 23, 2023

Physics-Informed Machine Learning: A Survey on Problems, Methods and Applications

Recent advances of data-driven machine learning have revolutionized fields like computer vision, reinforcement learning, and many scientific and engineering domains. In many real-world and scientific problems, systems that generate data are governed by physical laws. Recent work shows that it provides potential benefits for machine learning models by incorporating the physical prior and collected data, which makes the intersection of machine learning and physics become a prevailing paradigm. By integrating the data and mathematical physics models seamlessly, it can guide the machine learning model towards solutions that are physically plausible, improving accuracy and efficiency even in uncertain and high-dimensional contexts. In this survey, we present this learning paradigm called Physics-Informed Machine Learning (PIML) which is to build a model that leverages empirical data and available physical prior knowledge to improve performance on a set of tasks that involve a physical mechanism. We systematically review the recent development of physics-informed machine learning from three perspectives of machine learning tasks, representation of physical prior, and methods for incorporating physical prior. We also propose several important open research problems based on the current trends in the field. We argue that encoding different forms of physical prior into model architectures, optimizers, inference algorithms, and significant domain-specific applications like inverse engineering design and robotic control is far from being fully explored in the field of physics-informed machine learning. We believe that the interdisciplinary research of physics-informed machine learning will significantly propel research progress, foster the creation of more effective machine learning models, and also offer invaluable assistance in addressing long-standing problems in related disciplines.

  • 7 authors
·
Nov 15, 2022

LLM in a flash: Efficient Large Language Model Inference with Limited Memory

Large language models (LLMs) are central to modern natural language processing, delivering exceptional performance in various tasks. However, their intensive computational and memory requirements present challenges, especially for devices with limited DRAM capacity. This paper tackles the challenge of efficiently running LLMs that exceed the available DRAM capacity by storing the model parameters on flash memory but bringing them on demand to DRAM. Our method involves constructing an inference cost model that harmonizes with the flash memory behavior, guiding us to optimize in two critical areas: reducing the volume of data transferred from flash and reading data in larger, more contiguous chunks. Within this flash memory-informed framework, we introduce two principal techniques. First, "windowing'" strategically reduces data transfer by reusing previously activated neurons, and second, "row-column bundling", tailored to the sequential data access strengths of flash memory, increases the size of data chunks read from flash memory. These methods collectively enable running models up to twice the size of the available DRAM, with a 4-5x and 20-25x increase in inference speed compared to naive loading approaches in CPU and GPU, respectively. Our integration of sparsity awareness, context-adaptive loading, and a hardware-oriented design paves the way for effective inference of LLMs on devices with limited memory.

  • 8 authors
·
Dec 12, 2023 8

StyleVLA: Driving Style-Aware Vision Language Action Model for Autonomous Driving

Vision Language Models (VLMs) bridge visual perception and linguistic reasoning. In Autonomous Driving (AD), this synergy has enabled Vision Language Action (VLA) models, which translate high-level multimodal understanding into driving behaviors, typically represented as future trajectories. However, existing VLA models mainly generate generic collision-free trajectories. Beyond collision avoidance, adapting to diverse driving styles (e.g., sporty, comfortable) is essential for personalized driving. Moreover, many methods treat trajectory generation as naive token prediction, which can produce kinematically infeasible actions. To address these limitations, we present StyleVLA, a physics-informed VLA framework for generating diverse and physically plausible driving behaviors. We introduce a hybrid loss that combines a kinematic consistency constraint with a continuous regression head to improve trajectory feasibility. To train StyleVLA, built on Qwen3-VL-4B, we construct a large-scale instruction dataset with over 1.2k scenarios, 76k Bird's Eye View (BEV) samples, and 42k First Person View (FPV) samples, with ground-truth trajectories for five driving styles and natural-language instructions. Experiments show that our 4B-parameter StyleVLA significantly outperforms proprietary models (e.g., Gemini-3-Pro) and state-of-the-art VLA models. Using a composite driving score measuring success rate, physical feasibility, and style adherence, StyleVLA achieves 0.55 on BEV and 0.51 on FPV, versus 0.32 and 0.35 for Gemini-3-Pro. These results show that a specialized, physics-informed, lightweight model can surpass closed-source models on domain-specific tasks.

CySecBERT: A Domain-Adapted Language Model for the Cybersecurity Domain

The field of cybersecurity is evolving fast. Experts need to be informed about past, current and - in the best case - upcoming threats, because attacks are becoming more advanced, targets bigger and systems more complex. As this cannot be addressed manually, cybersecurity experts need to rely on machine learning techniques. In the texutual domain, pre-trained language models like BERT have shown to be helpful, by providing a good baseline for further fine-tuning. However, due to the domain-knowledge and many technical terms in cybersecurity general language models might miss the gist of textual information, hence doing more harm than good. For this reason, we create a high-quality dataset and present a language model specifically tailored to the cybersecurity domain, which can serve as a basic building block for cybersecurity systems that deal with natural language. The model is compared with other models based on 15 different domain-dependent extrinsic and intrinsic tasks as well as general tasks from the SuperGLUE benchmark. On the one hand, the results of the intrinsic tasks show that our model improves the internal representation space of words compared to the other models. On the other hand, the extrinsic, domain-dependent tasks, consisting of sequence tagging and classification, show that the model is best in specific application scenarios, in contrast to the others. Furthermore, we show that our approach against catastrophic forgetting works, as the model is able to retrieve the previously trained domain-independent knowledge. The used dataset and trained model are made publicly available

  • 4 authors
·
Dec 6, 2022

Informed Routing in LLMs: Smarter Token-Level Computation for Faster Inference

The deployment of large language models (LLMs) in real-world applications is increasingly limited by their high inference cost. While recent advances in dynamic token-level computation allocation attempt to improve efficiency by selectively activating model components per token, existing methods rely on greedy routing--a myopic execute-or-skip mechanism that often leads to irreversible information loss and suboptimal token selection. This paper introduces informed routing, a new paradigm that proactively addresses these issues. The key insight is to assess not only a token's immediate importance but also its recoverability, i.e., how well its transformation can be approximated. To this end, we propose the Lightweight Feature Forecaster (LFF), a small predictive module that estimates a unit's output before routing decisions are made. This enables a flexible execute-or-approximate policy that preserves model fidelity while drastically reducing computation. Extensive experiments on both language modeling and reasoning tasks show that informed routing achieves state-of-the-art efficiency-performance trade-offs across multiple sparsity levels. Notably, even without final LoRA fine-tuning, our method matches or surpasses strong baselines that require full fine-tuning, all while reducing training time by over 50%. The code is available at: https://github.com/EIT-NLP/informed-routing

  • 6 authors
·
Oct 10, 2025

Context-Informed Grounding Supervision

Large language models (LLMs) are often supplemented with external knowledge to provide information not encoded in their parameters or to reduce hallucination. In such cases, we expect the model to generate responses by grounding its response in the provided external context. However, prior work has shown that simply appending context at inference time does not ensure grounded generation. To address this, we propose Context-INformed Grounding Supervision (CINGS), a post-training supervision in which the model is trained with relevant context prepended to the response, while computing the loss only over the response tokens and masking out the context. Our experiments demonstrate that models trained with CINGS exhibit stronger grounding in both textual and visual domains compared to standard instruction-tuned models. In the text domain, CINGS outperforms other training methods across 11 information-seeking datasets and is complementary to inference-time grounding techniques. In the vision-language domain, replacing a vision-language model's LLM backbone with a CINGS-trained model reduces hallucinations across four benchmarks and maintains factual consistency throughout the generated response. This improved grounding comes without degradation in general downstream performance. Finally, we analyze the mechanism underlying the enhanced grounding in CINGS and find that it induces a shift in the model's prior knowledge and behavior, implicitly encouraging greater reliance on the external context.

  • 10 authors
·
Jun 18, 2025

Maia-2: A Unified Model for Human-AI Alignment in Chess

There are an increasing number of domains in which artificial intelligence (AI) systems both surpass human ability and accurately model human behavior. This introduces the possibility of algorithmically-informed teaching in these domains through more relatable AI partners and deeper insights into human decision-making. Critical to achieving this goal, however, is coherently modeling human behavior at various skill levels. Chess is an ideal model system for conducting research into this kind of human-AI alignment, with its rich history as a pivotal testbed for AI research, mature superhuman AI systems like AlphaZero, and precise measurements of skill via chess rating systems. Previous work in modeling human decision-making in chess uses completely independent models to capture human style at different skill levels, meaning they lack coherence in their ability to adapt to the full spectrum of human improvement and are ultimately limited in their effectiveness as AI partners and teaching tools. In this work, we propose a unified modeling approach for human-AI alignment in chess that coherently captures human style across different skill levels and directly captures how people improve. Recognizing the complex, non-linear nature of human learning, we introduce a skill-aware attention mechanism to dynamically integrate players' strengths with encoded chess positions, enabling our model to be sensitive to evolving player skill. Our experimental results demonstrate that this unified framework significantly enhances the alignment between AI and human players across a diverse range of expertise levels, paving the way for deeper insights into human decision-making and AI-guided teaching tools.

  • 6 authors
·
Oct 30, 2024

EXAONE Path 2.5: Pathology Foundation Model with Multi-Omics Alignment

Cancer progression arises from interactions across multiple biological layers, especially beyond morphological and across molecular layers that remain invisible to image-only models. To capture this broader biological landscape, we present EXAONE Path 2.5, a pathology foundation model that jointly models histologic, genomic, epigenetic and transcriptomic modalities, producing an integrated patient representation that reflects tumor biology more comprehensively. Our approach incorporates three key components: (1) multimodal SigLIP loss enabling all-pairwise contrastive learning across heterogeneous modalities, (2) a fragment-aware rotary positional encoding (F-RoPE) module that preserves spatial structure and tissue-fragment topology in WSI, and (3) domain-specialized internal foundation models for both WSI and RNA-seq to provide biologically grounded embeddings for robust multimodal alignment. We evaluate EXAONE Path 2.5 against six leading pathology foundation models across two complementary benchmarks: an internal real-world clinical dataset and the Patho-Bench benchmark covering 80 tasks. Our framework demonstrates high data and parameter efficiency, achieving on-par performance with state-of-the-art foundation models on Patho-Bench while exhibiting the highest adaptability in the internal clinical setting. These results highlight the value of biologically informed multimodal design and underscore the potential of integrated genotype-to-phenotype modeling for next-generation precision oncology.

  • 7 authors
·
Dec 15, 2025

NeuroGaze-Distill: Brain-informed Distillation and Depression-Inspired Geometric Priors for Robust Facial Emotion Recognition

Facial emotion recognition (FER) models trained only on pixels often fail to generalize across datasets because facial appearance is an indirect and biased proxy for underlying affect. We present NeuroGaze-Distill, a cross-modal distillation framework that transfers brain-informed priors into an image-only FER student via static Valence/Arousal (V/A) prototypes and a depression-inspired geometric prior (D-Geo). A teacher trained on EEG topographic maps from DREAMER (with MAHNOB-HCI as unlabeled support) produces a consolidated 5x5 V/A prototype grid that is frozen and reused; no EEG-face pairing and no non-visual signals at deployment are required. The student (ResNet-18/50) is trained on FERPlus with conventional CE/KD and two lightweight regularizers: (i) Proto-KD (cosine) aligns student features to the static prototypes; (ii) D-Geo softly shapes the embedding geometry in line with affective findings often reported in depression research (e.g., anhedonia-like contraction in high-valence regions). We evaluate both within-domain (FERPlus validation) and cross-dataset protocols (AffectNet-mini; optional CK+), reporting standard 8-way scores alongside present-only Macro-F1 and balanced accuracy to fairly handle label-set mismatch. Ablations attribute consistent gains to prototypes and D-Geo, and favor 5x5 over denser grids for stability. The method is simple, deployable, and improves robustness without architectural complexity.

  • 4 authors
·
Sep 15, 2025 3

A Physics-Informed Fourier-Wavelet Transformer for Multiscale Computational Fluid Dynamics Surrogate Modeling

Physics-informed surrogate models can accelerate computational fluid dynamics simulations. However, many existing methods reproduce global flow patterns more reliably than localized multiscale structures. This study presents a physics-informed Fourier-wavelet transformer for next-step velocity-field reconstruction in real-world flow benchmarks. The proposed formulation combines hybrid Fourier-wavelet spectral encoding with physics-biased self-attention based on partial differential equation residual diagnostics. It also uses self-supervised pretraining through Masked Physics Prediction and Equation Consistency Prediction. The experiments are conducted on two real benchmark cases: cylinder-wake flow and fluid-structure interaction. All approaches are evaluated under a shared local protocol and compared with spectral, transformer-based, operator-learning, and physics-informed neural-network baselines. On the cylinder-wake benchmark, the proposed model achieves the best aggregate accuracy, with an all-channel normalized mean-squared error of 0.05875 and an all-channel Pearson correlation coefficient of 0.97019. On the fluid-structure-interaction benchmark, it gives the lowest all-channel normalized mean-squared error of 2.70 times 10^{-4}, compared with 4.02 times 10^{-4} for the strongest baseline. Component-wise field comparisons and scale-separated diagnostics further show stronger recovery of localized wake structures, including near-body, wake-core, and far-wake features. The results demonstrate improved real-world flow reconstruction while maintaining a practical accuracy-cost tradeoff.

  • 3 authors
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Jun 22

AquaCast: Urban Water Dynamics Forecasting with Precipitation-Informed Multi-Input Transformer

This work addresses the challenge of forecasting urban water dynamics by developing a multi-input, multi-output deep learning model that incorporates both endogenous variables (e.g., water height or discharge) and exogenous factors (e.g., precipitation history and forecast reports). Unlike conventional forecasting, the proposed model, AquaCast, captures both inter-variable and temporal dependencies across all inputs, while focusing forecast solely on endogenous variables. Exogenous inputs are fused via an embedding layer, eliminating the need to forecast them and enabling the model to attend to their short-term influences more effectively. We evaluate our approach on the LausanneCity dataset, which includes measurements from four urban drainage sensors, and demonstrate state-of-the-art performance when using only endogenous variables. Performance also improves with the inclusion of exogenous variables and forecast reports. To assess generalization and scalability, we additionally test the model on three large-scale synthesized datasets, generated from MeteoSwiss records, the Lorenz Attractors model, and the Random Fields model, each representing a different level of temporal complexity across 100 nodes. The results confirm that our model consistently outperforms existing baselines and maintains a robust and accurate forecast across both real and synthetic datasets.

  • 5 authors
·
Sep 11, 2025

Aortic Valve Disease Detection from PPG via Physiology-Informed Self-Supervised Learning

Traditional diagnosis of aortic valve disease relies on echocardiography, but its cost and required expertise limit its use in large-scale early screening. Photoplethysmography (PPG) has emerged as a promising screening modality due to its widespread availability in wearable devices and its ability to reflect underlying hemodynamic dynamics. However, the extreme scarcity of gold-standard labeled PPG data severely constrains the effectiveness of data-driven approaches. To address this challenge, we propose and validate a new paradigm, Physiology-Guided Self-Supervised Learning (PG-SSL), aimed at unlocking the value of large-scale unlabeled PPG data for efficient screening of Aortic Stenosis (AS) and Aortic Regurgitation (AR). Using over 170,000 unlabeled PPG samples from the UK Biobank, we formalize clinical knowledge into a set of PPG morphological phenotypes and construct a pulse pattern recognition proxy task for self-supervised pre-training. A dual-branch, gated-fusion architecture is then employed for efficient fine-tuning on a small labeled subset. The proposed PG-SSL framework achieves AUCs of 0.765 and 0.776 for AS and AR screening, respectively, significantly outperforming supervised baselines trained on limited labeled data. Multivariable analysis further validates the model output as an independent digital biomarker with sustained prognostic value after adjustment for standard clinical risk factors. This study demonstrates that PG-SSL provides an effective, domain knowledge-driven solution to label scarcity in medical artificial intelligence and shows strong potential for enabling low-cost, large-scale early screening of aortic valve disease.

  • 7 authors
·
Feb 3

Knowledge-Informed Multi-Agent Trajectory Prediction at Signalized Intersections for Infrastructure-to-Everything

Multi-agent trajectory prediction at signalized intersections is crucial for developing efficient intelligent transportation systems and safe autonomous driving systems. Due to the complexity of intersection scenarios and the limitations of single-vehicle perception, the performance of vehicle-centric prediction methods has reached a plateau. In this paper, we introduce an Infrastructure-to-Everything (I2X) collaborative prediction scheme. In this scheme, roadside units (RSUs) independently forecast the future trajectories of all vehicles and transmit these predictions unidirectionally to subscribing vehicles. Building on this scheme, we propose I2XTraj, a dedicated infrastructure-based trajectory prediction model. I2XTraj leverages real-time traffic signal states, prior maneuver strategy knowledge, and multi-agent interactions to generate accurate, joint multi-modal trajectory prediction. First, a continuous signal-informed mechanism is proposed to adaptively process real-time traffic signals to guide trajectory proposal generation under varied intersection configurations. Second, a driving strategy awareness mechanism estimates the joint distribution of maneuver strategies by integrating spatial priors of intersection areas with dynamic vehicle states, enabling coverage of the full set of feasible maneuvers. Third, a spatial-temporal-mode attention network models multi-agent interactions to refine and adjust joint trajectory outputs.Finally, I2XTraj is evaluated on two real-world datasets of signalized intersections, the V2X-Seq and the SinD drone dataset. In both single-infrastructure and online collaborative scenarios, our model outperforms state-of-the-art methods by over 30\% on V2X-Seq and 15\% on SinD, demonstrating strong generalizability and robustness.

  • 5 authors
·
Jan 23, 2025

Does your model understand genes? A benchmark of gene properties for biological and text models

The application of deep learning methods, particularly foundation models, in biological research has surged in recent years. These models can be text-based or trained on underlying biological data, especially omics data of various types. However, comparing the performance of these models consistently has proven to be a challenge due to differences in training data and downstream tasks. To tackle this problem, we developed an architecture-agnostic benchmarking approach that, instead of evaluating the models directly, leverages entity representation vectors from each model and trains simple predictive models for each benchmarking task. This ensures that all types of models are evaluated using the same input and output types. Here we focus on gene properties collected from professionally curated bioinformatics databases. These gene properties are categorized into five major groups: genomic properties, regulatory functions, localization, biological processes, and protein properties. Overall, we define hundreds of tasks based on these databases, which include binary, multi-label, and multi-class classification tasks. We apply these benchmark tasks to evaluate expression-based models, large language models, protein language models, DNA-based models, and traditional baselines. Our findings suggest that text-based models and protein language models generally outperform expression-based models in genomic properties and regulatory functions tasks, whereas expression-based models demonstrate superior performance in localization tasks. These results should aid in the development of more informed artificial intelligence strategies for biological understanding and therapeutic discovery. To ensure the reproducibility and transparency of our findings, we have made the source code and benchmark data publicly accessible for further investigation and expansion at github.com/BiomedSciAI/gene-benchmark.

  • 5 authors
·
Dec 5, 2024

Simultaneous and Meshfree Topology Optimization with Physics-informed Gaussian Processes

Topology optimization (TO) provides a principled mathematical approach for optimizing the performance of a structure by designing its material spatial distribution in a pre-defined domain and subject to a set of constraints. The majority of existing TO approaches leverage numerical solvers for design evaluations during the optimization and hence have a nested nature and rely on discretizing the design variables. Contrary to these approaches, herein we develop a new class of TO methods based on the framework of Gaussian processes (GPs) whose mean functions are parameterized via deep neural networks. Specifically, we place GP priors on all design and state variables to represent them via parameterized continuous functions. These GPs share a deep neural network as their mean function but have as many independent kernels as there are state and design variables. We estimate all the parameters of our model in a single for loop that optimizes a penalized version of the performance metric where the penalty terms correspond to the state equations and design constraints. Attractive features of our approach include (1) having a built-in continuation nature since the performance metric is optimized at the same time that the state equations are solved, and (2) being discretization-invariant and accommodating complex domains and topologies. To test our method against conventional TO approaches implemented in commercial software, we evaluate it on four problems involving the minimization of dissipated power in Stokes flow. The results indicate that our approach does not need filtering techniques, has consistent computational costs, and is highly robust against random initializations and problem setup.

  • 4 authors
·
Aug 6, 2024

Proximity-Informed Calibration for Deep Neural Networks

Confidence calibration is central to providing accurate and interpretable uncertainty estimates, especially under safety-critical scenarios. However, we find that existing calibration algorithms often overlook the issue of *proximity bias*, a phenomenon where models tend to be more overconfident in low proximity data (i.e., data lying in the sparse region of the data distribution) compared to high proximity samples, and thus suffer from inconsistent miscalibration across different proximity samples. We examine the problem over 504 pretrained ImageNet models and observe that: 1) Proximity bias exists across a wide variety of model architectures and sizes; 2) Transformer-based models are relatively more susceptible to proximity bias than CNN-based models; 3) Proximity bias persists even after performing popular calibration algorithms like temperature scaling; 4) Models tend to overfit more heavily on low proximity samples than on high proximity samples. Motivated by the empirical findings, we propose ProCal, a plug-and-play algorithm with a theoretical guarantee to adjust sample confidence based on proximity. To further quantify the effectiveness of calibration algorithms in mitigating proximity bias, we introduce proximity-informed expected calibration error (PIECE) with theoretical analysis. We show that ProCal is effective in addressing proximity bias and improving calibration on balanced, long-tail, and distribution-shift settings under four metrics over various model architectures. We believe our findings on proximity bias will guide the development of *fairer and better-calibrated* models, contributing to the broader pursuit of trustworthy AI. Our code is available at: https://github.com/MiaoXiong2320/ProximityBias-Calibration.

  • 7 authors
·
Jun 7, 2023

PINN surrogate of Li-ion battery models for parameter inference. Part II: Regularization and application of the pseudo-2D model

Bayesian parameter inference is useful to improve Li-ion battery diagnostics and can help formulate battery aging models. However, it is computationally intensive and cannot be easily repeated for multiple cycles, multiple operating conditions, or multiple replicate cells. To reduce the computational cost of Bayesian calibration, numerical solvers for physics-based models can be replaced with faster surrogates. A physics-informed neural network (PINN) is developed as a surrogate for the pseudo-2D (P2D) battery model calibration. For the P2D surrogate, additional training regularization was needed as compared to the PINN single-particle model (SPM) developed in Part I. Both the PINN SPM and P2D surrogate models are exercised for parameter inference and compared to data obtained from a direct numerical solution of the governing equations. A parameter inference study highlights the ability to use these PINNs to calibrate scaling parameters for the cathode Li diffusion and the anode exchange current density. By realizing computational speed-ups of 2250x for the P2D model, as compared to using standard integrating methods, the PINN surrogates enable rapid state-of-health diagnostics. In the low-data availability scenario, the testing error was estimated to 2mV for the SPM surrogate and 10mV for the P2D surrogate which could be mitigated with additional data.

  • 9 authors
·
Dec 28, 2023

ClimaX: A foundation model for weather and climate

Most state-of-the-art approaches for weather and climate modeling are based on physics-informed numerical models of the atmosphere. These approaches aim to model the non-linear dynamics and complex interactions between multiple variables, which are challenging to approximate. Additionally, many such numerical models are computationally intensive, especially when modeling the atmospheric phenomenon at a fine-grained spatial and temporal resolution. Recent data-driven approaches based on machine learning instead aim to directly solve a downstream forecasting or projection task by learning a data-driven functional mapping using deep neural networks. However, these networks are trained using curated and homogeneous climate datasets for specific spatiotemporal tasks, and thus lack the generality of numerical models. We develop and demonstrate ClimaX, a flexible and generalizable deep learning model for weather and climate science that can be trained using heterogeneous datasets spanning different variables, spatio-temporal coverage, and physical groundings. ClimaX extends the Transformer architecture with novel encoding and aggregation blocks that allow effective use of available compute while maintaining general utility. ClimaX is pre-trained with a self-supervised learning objective on climate datasets derived from CMIP6. The pre-trained ClimaX can then be fine-tuned to address a breadth of climate and weather tasks, including those that involve atmospheric variables and spatio-temporal scales unseen during pretraining. Compared to existing data-driven baselines, we show that this generality in ClimaX results in superior performance on benchmarks for weather forecasting and climate projections, even when pretrained at lower resolutions and compute budgets.

  • 5 authors
·
Jan 24, 2023