Daily Papers

Optimal-transport couplings have been shown to reduce training variance in unconditional flow models, but their role in conditional generation remains unclear. A natural approach constructs separate couplings for each condition, but this is impractical for large or continuous conditioning spaces found in modern image foundation models. We introduce Global Transport (GT), a global class-agnostic optimal-transport coupling, computed without class labels. GT can associate different conditions with different regions of the source noise, and consequently worsens performance without guidance. However, when combined with classifier-free guidance (CFG), GT consistently improves generation across domains, model scales, and sampling budgets. This reversal suggests that couplings for conditional flows should be evaluated both empirically and theoretically under the guided flow used at inference, rather than on unguided generation. We evaluate GT over both discrete class and continuous text conditioned image generation across model scales, and investigate how coupling choice alters guided trajectories. These results identify coupling design in the guided flow setting as a simple training time axis to improve performance without modifying existing architectures, samplers, or guidance mechanisms.

In this work, we present HieraTok, a novel multi-scale Vision Transformer (ViT)-based tokenizer that overcomes the inherent limitation of modeling single-scale representations. This is realized through two key designs: (1) multi-scale downsampling applied to the token map generated by the tokenizer encoder, producing a sequence of multi-scale tokens, and (2) a scale-causal attention mechanism that enables the progressive flow of information from low-resolution global semantic features to high-resolution structural details. Coupling these designs, HieraTok achieves significant improvements in both image reconstruction and generation tasks. Under identical settings, the multi-scale visual tokenizer outperforms its single-scale counterpart by a 27.2\% improvement in rFID (1.47 rightarrow 1.07). When integrated into downstream generation frameworks, it achieves a 1.38times faster convergence rate and an 18.9\% boost in gFID (16.4 rightarrow 13.3), which may be attributed to the smoother and more uniformly distributed latent space. Furthermore, by scaling up the tokenizer's training, we demonstrate its potential by a sota rFID of 0.45 and a gFID of 1.82 among ViT tokenizers. To the best of our knowledge, we are the first to introduce multi-scale ViT-based tokenizer in image reconstruction and image generation. We hope our findings and designs advance the ViT-based tokenizers in visual generation tasks.

This paper shows that masked autoencoders (MAE) are scalable self-supervised learners for computer vision. Our MAE approach is simple: we mask random patches of the input image and reconstruct the missing pixels. It is based on two core designs. First, we develop an asymmetric encoder-decoder architecture, with an encoder that operates only on the visible subset of patches (without mask tokens), along with a lightweight decoder that reconstructs the original image from the latent representation and mask tokens. Second, we find that masking a high proportion of the input image, e.g., 75%, yields a nontrivial and meaningful self-supervisory task. Coupling these two designs enables us to train large models efficiently and effectively: we accelerate training (by 3x or more) and improve accuracy. Our scalable approach allows for learning high-capacity models that generalize well: e.g., a vanilla ViT-Huge model achieves the best accuracy (87.8%) among methods that use only ImageNet-1K data. Transfer performance in downstream tasks outperforms supervised pre-training and shows promising scaling behavior.

Video-language pre-training is crucial for learning powerful multi-modal representation. However, it typically requires a massive amount of computation. In this paper, we develop SMAUG, an efficient pre-training framework for video-language models. The foundation component in SMAUG is masked autoencoders. Different from prior works which only mask textual inputs, our masking strategy considers both visual and textual modalities, providing a better cross-modal alignment and saving more pre-training costs. On top of that, we introduce a space-time token sparsification module, which leverages context information to further select only "important" spatial regions and temporal frames for pre-training. Coupling all these designs allows our method to enjoy both competitive performances on text-to-video retrieval and video question answering tasks, and much less pre-training costs by 1.9X or more. For example, our SMAUG only needs about 50 NVIDIA A6000 GPU hours for pre-training to attain competitive performances on these two video-language tasks across six popular benchmarks.

We present STCDiT, a video super-resolution framework built upon a pre-trained video diffusion model, aiming to restore structurally faithful and temporally stable videos from degraded inputs, even under complex camera motions. The main challenges lie in maintaining temporal stability during reconstruction and preserving structural fidelity during generation. To address these challenges, we first develop a motion-aware VAE reconstruction method that performs segment-wise reconstruction, with each segment clip exhibiting uniform motion characteristic, thereby effectively handling videos with complex camera motions. Moreover, we observe that the first-frame latent extracted by the VAE encoder in each clip, termed the anchor-frame latent, remains unaffected by temporal compression and retains richer spatial structural information than subsequent frame latents. We further develop an anchor-frame guidance approach that leverages structural information from anchor frames to constrain the generation process and improve structural fidelity of video features. Coupling these two designs enables the video diffusion model to achieve high-quality video super-resolution. Extensive experiments show that STCDiT outperforms state-of-the-art methods in terms of structural fidelity and temporal consistency.

We introduce a novel masked graph autoencoder (MGAE) framework to perform effective learning on graph structure data. Taking insights from self-supervised learning, we randomly mask a large proportion of edges and try to reconstruct these missing edges during training. MGAE has two core designs. First, we find that masking a high ratio of the input graph structure, e.g., 70%, yields a nontrivial and meaningful self-supervisory task that benefits downstream applications. Second, we employ a graph neural network (GNN) as an encoder to perform message propagation on the partially-masked graph. To reconstruct the large number of masked edges, a tailored cross-correlation decoder is proposed. It could capture the cross-correlation between the head and tail nodes of anchor edge in multi-granularity. Coupling these two designs enables MGAE to be trained efficiently and effectively. Extensive experiments on multiple open datasets (Planetoid and OGB benchmarks) demonstrate that MGAE generally performs better than state-of-the-art unsupervised learning competitors on link prediction and node classification.

In this paper, we study the problem of generalizable synthetic image detection, aiming to detect forgery images from diverse generative methods, e.g., GANs and diffusion models. Cutting-edge solutions start to explore the benefits of pre-trained models, and mainly follow the fixed paradigm of solely training an attached classifier, e.g., combining frozen CLIP-ViT with a learnable linear layer in UniFD. However, our analysis shows that such a fixed paradigm is prone to yield detectors with insufficient learning regarding forgery representations. We attribute the key challenge to the lack of forgery adaptation, and present a novel forgery-aware adaptive transformer approach, namely FatFormer. Based on the pre-trained vision-language spaces of CLIP, FatFormer introduces two core designs for the adaption to build generalized forgery representations. First, motivated by the fact that both image and frequency analysis are essential for synthetic image detection, we develop a forgery-aware adapter to adapt image features to discern and integrate local forgery traces within image and frequency domains. Second, we find that considering the contrastive objectives between adapted image features and text prompt embeddings, a previously overlooked aspect, results in a nontrivial generalization improvement. Accordingly, we introduce language-guided alignment to supervise the forgery adaptation with image and text prompts in FatFormer. Experiments show that, by coupling these two designs, our approach tuned on 4-class ProGAN data attains a remarkable detection performance, achieving an average of 98% accuracy to unseen GANs, and surprisingly generalizes to unseen diffusion models with 95% accuracy.

Vision-Language-Action Models (VLAs) have emerged as a key paradigm of Physical AI and are increasingly deployed in autonomous vehicles, robots, and smart spaces. In these resource-constrained on-device settings, selecting an appropriate large language model (LLM) backbone is a critical challenge: models must balance accuracy with strict inference latency and hardware efficiency constraints. This makes hardware-software co-design a game-changing requirement for on-device LLM deployment, where each hardware platform demands a tailored architectural solution. We propose a hardware co-design law that jointly captures model accuracy and inference performance. Specifically, we model training loss as an explicit function of architectural hyperparameters and characterise inference latency via roofline modelling. We empirically evaluate 1,942 candidate architectures on NVIDIA Jetson Orin, training 170 selected models for 10B tokens each to fit a scaling law relating architecture to training loss. By coupling this scaling law with latency modelling, we establish a direct accuracy-latency correspondence and identify the Pareto frontier for hardware co-designed LLMs. We further formulate architecture search as a joint optimisation over precision and performance, deriving feasible design regions under industrial hardware and application budgets. Our approach reduces architecture selection from months to days. At the same latency as Qwen2.5-0.5B on the target hardware, our co-designed architecture achieves 19.42% lower perplexity on WikiText-2. To our knowledge, this is the first principled and operational framework for hardware co-design scaling laws in on-device LLM deployment. We will make the code and related checkpoints publicly available.

High fidelity 3D reconstruction and rendering hinge on capturing precise geometry while preserving photo realistic detail. Most existing methods either fuse these goals into a single cumbersome model or adopt hybrid schemes whose uniform primitives lead to a trade off between efficiency and fidelity. In this paper, we introduce HaloGS, a dual representation that loosely couples coarse triangles for geometry with Gaussian primitives for appearance, motivated by the lightweight classic geometry representations and their proven efficiency in real world applications. Our design yields a compact yet expressive model capable of photo realistic rendering across both indoor and outdoor environments, seamlessly adapting to varying levels of scene complexity. Experiments on multiple benchmark datasets demonstrate that our method yields both compact, accurate geometry and high fidelity renderings, especially in challenging scenarios where robust geometric structure make a clear difference.

Vision language models have achieved strong performance across a wide range of multimodal applications, yet their substantial computational and memory costs hinder efficient deployment. Visual token pruning and post-training quantization reduce inference overhead along two complementary dimensions, namely sequence length and numerical precision. Existing workflows typically optimize these techniques independently or apply them sequentially. Their distinct optimization objectives leave critical interactions unaddressed and constrain the achievable compression performance. We revisit these designs and present P4Q, a practical co-design framework that jointly optimizes visual token pruning and low-bit quantization for efficient VLM inference. First, P4Q introduces a quantization-aware visual token selection strategy before the LLM. It applies fake quantization to copies of the features produced by the projector and selects visual tokens using statistics computed from these fake-quantized features, thereby conditioning the selector's feature-based decisions on simulated low-bit perturbations. Second, P4Q introduces a pruning-aware quantization calibration strategy. It uses the same selection strategy as pruning to calibrate the quantized model on the retained-token distribution, thereby aligning the calibration process with the pruned execution path used during deployment. By coupling these two components, P4Q achieves substantial inference speedups while maintaining comparable task performance, resulting in a better efficiency-accuracy trade-off than independently optimized pipelines. For instance, on LLaVA-NeXT, P4Q achieves an average end-to-end inference speedup of 2.8x across eight distinct test sets, while retaining higher accuracy than prior compression and quantization methods.

Text-attributed graphs (TAGs) are widely used in many real-world domains, and learning on TAGs requires jointly modeling text semantics and graph structure. A standard approach for modeling TAGs is to combine a language model (LM) and a graph neural network (GNN), but joint training is computationally expensive and difficult to scale. Dataset distillation is a promising way to reduce training costs, but existing methods are not well suited to TAGs because they are typically designed for a single modality or still require repeatedly training expensive LM-GNN models on the full dataset during distillation. To address this, we propose TaLK, an effective dataset distillation method for TAGs that couples an LM with a graph-aware neural tangent kernel. This design enables efficient dataset distillation, avoiding repeated joint training on the full dataset while reflecting both textual and structural information for effective TAG learning. Experiments on multiple TAG benchmarks show that TaLK consistently outperforms existing baselines and achieves up to 97% of full-dataset performance with only 1% synthetic data.

Recent advancements in medical imaging and artificial intelligence (AI) have greatly enhanced diagnostic capabilities, but the development of effective deep learning (DL) models is still constrained by the lack of high-quality annotated datasets. The traditional manual annotation process by medical experts is time- and resource-intensive, limiting the scalability of these datasets. In this work, we introduce a robust and versatile framework that combines AI and crowdsourcing to improve both the quality and quantity of medical image datasets across different modalities. Our approach utilises a user-friendly online platform that enables a diverse group of crowd annotators to label medical images efficiently. By integrating the MedSAM segmentation AI with this platform, we accelerate the annotation process while maintaining expert-level quality through an algorithm that merges crowd-labelled images. Additionally, we employ pix2pixGAN, a generative AI model, to expand the training dataset with synthetic images that capture realistic morphological features. These methods are combined into a cohesive framework designed to produce an enhanced dataset, which can serve as a universal pre-processing pipeline to boost the training of any medical deep learning segmentation model. Our results demonstrate that this framework significantly improves model performance, especially when training data is limited.

Morphology-control co-design concerns the coupled optimization of an agent's body structure and control policy. This problem exhibits a bi-level structure, where the control dynamically adapts to the morphology to maximize performance. Existing methods typically neglect the control's adaptation dynamics by adopting a single-level formulation that treats the control policy as fixed when optimizing morphology. This can lead to inefficient optimization, as morphology updates may be misaligned with control adaptation. In this paper, we revisit the co-design problem from a game-theoretic perspective, modeling the intrinsic coupling between morphology and control as a novel variant of a Stackelberg game. We propose Stackelberg Proximal Policy Optimization (Stackelberg PPO), which explicitly incorporates the control's adaptation dynamics into morphology optimization. By modeling this intrinsic coupling, our method aligns morphology updates with control adaptation, thereby stabilizing training and improving learning efficiency. Experiments across diverse co-design tasks demonstrate that Stackelberg PPO outperforms standard PPO in both stability and final performance, opening the way for dramatically more efficient robotics designs.

Designing a transit network requires many sequential route extension decisions, but their quality is often visible only after the full network is assembled. This delayed-feedback challenge lies at the heart of the Transit Route Network Design Problem (TRNDP), where route interactions can be deceptive: an extension that appears useful locally can create transfer bottlenecks, produce redundant overlap, or reduce overall throughput. To guide route construction under delayed simulator feedback, we introduce AlphaTransit, a search-based planning framework for cityscale bus network design. AlphaTransit couples Monte Carlo Tree Search (MCTS) with a neural policy-value network: the policy proposes route extensions, the value estimates downstream design quality, and search uses these predictions to refine each decision. This provides decision-time lookahead during route construction without running simulator rollouts inside the search tree. We evaluate AlphaTransit on a new Bloomington TRNDP benchmark with realistic road topology and censusderived demand, under mixed and full transit demand settings. In the Bloomington network, AlphaTransit attains the highest service rate in both demand settings, reaching 54.6% and 82.1%, respectively. Relative to reinforcement learning without search, these correspond to 9.9% and 11.4% service rate gains; relative to MCTS without learned guidance, they correspond to 2.5% and 11.2% gains. These results suggest that coupling learned guidance with MCTS is more effective than using either approach alone for transit network design. Our code and data are publicly available in https://github.com/poudel-bibek/AlphaTransit.

RNA function arises from the coupling of nucleotide sequence and three-dimensional structure, motivating their joint design. Coordinating global folding with nucleotide-level detail remains challenging under limited structural supervision. We introduce La-Ribo, a generative framework for RNA sequence-structure co-design via geometry-latent flow matching. La-Ribo retains a sparse phosphate-sugar--base scaffold and encodes nucleotide identity and local conformation in residue-wise latents. A shared flow network generates both jointly, and an RNA-specific decoder then reconstructs all heavy atoms. To expand supervision, we construct a quality-controlled corpus of 168,561 RNA structures, integrating experimental data with predictions from three folding models, including 10,631 MSA-supported structures generated in this work. La-Ribo improves designability and codesignability over the evaluated baselines across sampling budgets and two refolding models, and the same prior supports scaffold-conditioned inverse folding without additional training.

Pose-Free Feed-forward 3D Gaussian Splatting (3DGS) has recently emerged as a powerful paradigm for fast scene reconstruction. However, its performance degrades significantly in long image sequences due to cumulative camera pose estimation drift, which propagates errors into geometric modeling and severely limits rendering fidelity. In this work, we revisit the long-sequence bottleneck and identify pose drift as the primary factor restricting reconstruction quality. Furthermore, while SfM-based pseudo ground-truth poses introduce sensor noise, purely rendering-based supervision often leads to optimization instability and local minima due to the entangled optimization of geometry and pose. To address the challenges, we propose a synergistic pose-free framework that explicitly couples geometry and appearance via a Raymap-Guided Coupling Module (RGC). Concretely, we anchor Gaussian centers to raymap-induced geometry and jointly optimize RGB reconstruction, raymap consistency, and camera regularization under a unified objective, yielding a bidirectional feedback loop: stronger geometry improves rendering, and appearance supervision in turn refines geometry and pose. To further stabilize learning across wide temporal ranges, we introduce a Dual-Frequency Viewpoint Scheduling strategy that combines easy-to-hard interval expansion with replay of short-interval pairs. Extensive experiments across in-domain and cross-domain datasets show consistent gains in both rendering and pose estimation, with notably improved robustness on long sequences. Ablation studies validate our central insight: explicitly designed geometry-appearance synergy is the key to scalable and drift-robust pose-free feed-forward 3D reconstruction.

Inverse design of RF passive components from S-parameters is a high-dimensional, ill-posed problem, and prior generative approaches are limited to single-layer binary-metallization structures. This paper presents an inverse design approach that generates passive components from partial S-parameter inputs on an 8times8 mm board discretized at 64times64 pixels with sub-pixel grayscale metallization across 1-20 GHz. The framework generates two-layer copper layouts with vias, with hard physical constraints on feed locations enforced through annealed Langevin projection, flexible multi-modal conditioning on partial S-parameter specifications, port locations, dielectric properties, reference topology, and variable port placement. Candidate designs are generated in seconds, with surrogate-predicted S-parameters matching targets to within 0.77 pm 1.28 dB weighted mean absolute error. We validate the approach with two fabricated designs on RO4003C: a manufacturable alternative to a hairpin filter whose coupling gaps violate fabrication rules, and a combline bandpass filter designed from scratch given only target S-parameters.

We develop a multi-step workflow for the discovery of conventional superconductors, starting with a Bardeen Cooper Schrieffer inspired pre-screening of 1736 materials with high Debye temperature and electronic density of states. Next, we perform electron-phonon coupling calculations for 1058 of them to establish a large and systematic database of BCS superconducting properties. Using the McMillan-Allen-Dynes formula, we identify 105 dynamically stable materials with transition temperatures, Tc>5 K. Additionally, we analyze trends in our dataset and individual materials including MoN, VC, VTe, KB6, Ru3NbC, V3Pt, ScN, LaN2, RuO2, and TaC. We demonstrate that deep-learning(DL) models can predict superconductor properties faster than direct first principles computations. Notably, we find that by predicting the Eliashberg function as an intermediate quantity, we can improve model performance versus a direct DL prediction of Tc. We apply the trained models on the crystallographic open database and pre-screen candidates for further DFT calculations.

Planar metasurfaces can profoundly control electromagnetic scattering. At microwave frequencies, such devices are typically implemented using multilayer cascades of patterned metallic sheets, whose design often requires time-consuming full-wave optimization. Here, we extend analytical models originally developed for sparse loaded-wire metagratings to accurately describe densely packed Jerusalem-cross meta-atoms embedded in standard printed circuit board (PCB) dielectric stacks. The model captures both near- and far-field coupling within and between layers, enabling efficient prediction of the dual-polarized response. Using this framework, we identify highly transmissive meta-atoms whose phase is controlled by the leg lengths of the Jerusalem crosses (microscopic design stage). This (phase)-(leg-length) "lookup table" allows rapid synthesis of Huygens' metasurfaces (macroscopic design stage), demonstrated through a full-wave-validated metalens exhibiting low-reflection beam manipulation. Notably, we implement a judicious scaling method to further extend the model to predict wideband meta-atom responses. In the companion paper (Part II), a hybrid machine-learning approach leverages this semianalytical framework to enhance accuracy without requiring the conventional exhaustive full-wave training, enabling ultrafast inverse design across the full parameter space. Overall, the presented methodology -- the standalone semianlytical scheme (Part I) and the machine-learning enhanced version (Part II) -- establishes an effective open-source toolkit for versatile, rapid, and highly accurate synthesis of fabrication-ready dual-polarized transmissive Huygens' meta-atoms and metasurfaces.

This paper delves into the interplay between vision backbones and optimizers, unvealing an inter-dependent phenomenon termed \textbf{backbone-optimizer coupling bias} (BOCB). We observe that canonical CNNs, such as VGG and ResNet, exhibit a marked co-dependency with SGD families, while recent architectures like ViTs and ConvNeXt share a tight coupling with the adaptive learning rate ones. We further show that BOCB can be introduced by both optimizers and certain backbone designs and may significantly impact the pre-training and downstream fine-tuning of vision models. Through in-depth empirical analysis, we summarize takeaways on recommended optimizers and insights into robust vision backbone architectures. We hope this work can inspire the community to question long-held assumptions on backbones and optimizers, stimulate further explorations, and thereby contribute to more robust vision systems. The source code and models are publicly available at https://bocb-ai.github.io/.

Aligning text-to-image flow matching models with human preferences via direct reward backpropagation is sample-efficient but hampered by two well-known pathologies: activations cannot be stored across the full sampling trajectory at modern model scale, and chained Jacobian products across steps inflate the reward gradient as it travels back to early indices. Connector-based methods, such as LeapAlign, address these issues by replacing the full backward trajectory with a short pinned path, highlighting a useful decoupling between sampling and optimization. However, the quality of the resulting gradient depends on how accurately this short path approximates the full rollout, especially over long intervals. We propose FlowBP, a unified surrogate-trajectory framework that treats the backward trajectory itself as the design object. FlowBP keeps a no-gradient cached rollout for sampling, then builds a lightweight backward surrogate from cached and selectively re-forwarded velocities. This view separates four choices: the reward-model input, active set, integration weights, and bridge coupling, and recovers prior direct-gradient methods as particular settings. Within this framework, we instantiate three variants: FlowBP-Sparse uses sparse Euler reconstruction, FlowBP-Bridge adds controlled bridge coupling, and FlowBP-Lagrange raises the order of leap quadrature. All three bound memory by the active-set size and limit gradient chaining to at most one Jacobian factor. Across SD3.5-M, FLUX.1-dev, and FLUX.2-Klein-base on preference, quality, and compositional metrics, the three variants improve over direct-gradient baselines on most metrics.

Understanding how aligned LLMs internally represent safety is critical for diagnosing alignment vulnerabilities, as it explains why jailbreaks succeed and informs the design of robust alignment strategies. Prior work shows that aligned LLMs encode harmfulness and refusal as separable directions in the residual stream at prompt-side token positions. We show that jailbreaks succeed at prompt encoding by suppressing either the refusal or harmfulness direction before any token is generated, with distinct attack classes occupying separable regions of the harmfulness-refusal plane. Extending the analysis to response-token positions, we find that the model recognizes harmful content while it is generating that content, even when it failed to recognize the input as harmful at the prompt side. Motivated by our findings, we introduce HARC (Harmfulness-And-Refusal Coupling), a fine-tuning method that pairs the two directions across both prompt and response positions. Since the intervention is confined to the harmfulness-refusal subspace, it leaves the rest of the residual stream intact and does not degrade general capability or inflate over-refusal. Across extensive experiments, HARC achieves the strongest robustness-capability-usability trade-off among six baselines spanning the major training-time and inference-time safety methods. The harmfulness and refusal directions at prompt and response positions transfer across the five model families and two scales we tested without architecture-specific tuning.

Predicting gene function from its DNA sequence is a fundamental challenge in biology. Many deep learning models have been proposed to embed DNA sequences and predict their enzymatic function, leveraging information in public databases linking DNA sequences to an enzymatic function label. However, much of the scientific community's knowledge of biological function is not represented in these categorical labels, and is instead captured in unstructured text descriptions of mechanisms, reactions, and enzyme behavior. These descriptions are often captured alongside DNA sequences in biological databases, albeit in an unstructured manner. Deep learning of models predicting enzymatic function are likely to benefit from incorporating this multi-modal data encoding scientific knowledge of biological function. There is, however, no dataset designed for machine learning algorithms to leverage this multi-modal information. Here we propose a novel dataset and benchmark suite that enables the exploration and development of large multi-modal neural network models on gene DNA sequences and natural language descriptions of gene function. We present baseline performance on benchmarks for both unsupervised and supervised tasks that demonstrate the difficulty of this modeling objective, while demonstrating the potential benefit of incorporating multi-modal data types in function prediction compared to DNA sequences alone. Our dataset is at: https://hoarfrost-lab.github.io/BioTalk/.

This paper investigates a novel lossy compression framework operating under logarithmic loss, designed to handle situations where the reconstruction distribution diverges from the source distribution. This framework is especially relevant for applications that require joint compression and retrieval, and in scenarios involving distributional shifts due to processing. We show that the proposed formulation extends the classical minimum entropy coupling framework by integrating a bottleneck, allowing for a controlled degree of stochasticity in the coupling. We explore the decomposition of the Minimum Entropy Coupling with Bottleneck (MEC-B) into two distinct optimization problems: Entropy-Bounded Information Maximization (EBIM) for the encoder, and Minimum Entropy Coupling (MEC) for the decoder. Through extensive analysis, we provide a greedy algorithm for EBIM with guaranteed performance, and characterize the optimal solution near functional mappings, yielding significant theoretical insights into the structural complexity of this problem. Furthermore, we illustrate the practical application of MEC-B through experiments in Markov Coding Games (MCGs) under rate limits. These games simulate a communication scenario within a Markov Decision Process, where an agent must transmit a compressed message from a sender to a receiver through its actions. Our experiments highlight the trade-offs between MDP rewards and receiver accuracy across various compression rates, showcasing the efficacy of our method compared to conventional compression baseline.

Amortized neural inverse design typically remains closed-world: component choices are fixed vocabulary tokens, coordinate grids are frozen at training time, and continuous variables are discretized into sequence tokens. Multilayer optical coatings are an industrially important instance, coupling material sequence, layer thickness and wavelength-dependent response. We present IrisFlow, a query-based, open-vocabulary flow-matching framework instantiated in coatings: the target reflectance/transmittance spectrum, wavelength grid, candidate-material optical constants and layer count are supplied at query time. Candidate materials enter as wavelength-aware optical tokens rather than learned identities; material sequences are sampled by discrete flow matching over the query's candidate bank, thicknesses by continuous flow matching without discretization. A single 136M-parameter model designs 2-100-layer stacks. Across a 224-task benchmark it reconstructs in-distribution targets faithfully and retains same-order accuracy on a 15-material held-out bank without retraining; it reconstructs bands up to 1100 nm beyond its training envelope, designs against analytic application specifications and outperforms an autoregressive baseline on that baseline's material library. With optical constants calibrated to our deposition process, IrisFlow designs four color-displaying coolers, fabricated by ion-assisted evaporation: the three chromatic devices reach a CIEDE2000 color error of 3.1-5.2 while retaining 93-95% solar near-infrared reflectance, demonstrating open-vocabulary design carried through to fabricated coatings.

While autoregressive (AR) modeling has recently emerged as a new paradigm in visual generation, its practical adoption is severely constrained by the slow inference speed of per-token generation, which often requires thousands of steps to produce a single sample. To address this challenge, we propose MC-SJD, a training-free, lossless parallel decoding framework designed to accelerate AR visual generation by extending the recently introduced Speculative Jacobi Decoding (SJD). Although SJD shows strong potential for accelerating AR generation, we demonstrate that token instability across iterations significantly reduces the acceptance rate, a limitation that primarily arises from the independent sampling process used during draft token generation. To overcome this, we introduce MC-SJD, an information-theoretic approach based on coupling, which substantially accelerates standard SJD by maximizing the probability of sampling identical draft tokens across consecutive iterations, all while preserving its lossless property. Remarkably, this method requires only a single-line modification to the existing algorithm, yet achieves substantial performance gains, delivering up to a ~4.2x acceleration in image generation and ~13.3x acceleration in video generation compared to standard AR decoding, without any degradation in output quality.

GraphRAG addresses significant challenges in Retrieval-Augmented Generation (RAG) by leveraging graphs with embedded knowledge to enhance the reasoning capabilities of Large Language Models (LLMs). Despite its promising potential, the GraphRAG community currently lacks a unified framework for fine-grained decomposition of the graph-based knowledge retrieval process. Furthermore, there is no systematic categorization or evaluation of existing solutions within the retrieval process. In this paper, we present LEGO-GraphRAG, a modular framework that decomposes the retrieval process of GraphRAG into three interconnected modules: subgraph-extraction, path-filtering, and path-refinement. We systematically summarize and classify the algorithms and neural network (NN) models relevant to each module, providing a clearer understanding of the design space for GraphRAG instances. Additionally, we identify key design factors, such as Graph Coupling and Computational Cost, that influence the effectiveness of GraphRAG implementations. Through extensive empirical studies, we construct high-quality GraphRAG instances using a representative selection of solutions and analyze their impact on retrieval and reasoning performance. Our findings offer critical insights into optimizing GraphRAG instance design, ultimately contributing to the advancement of more accurate and contextually relevant LLM applications.

The success of Transformer language models is widely credited to their dot-product attention mechanism, which interweaves a set of key design principles: mixing information across positions (enabling multi-token interactions), sequence-dependent activations (where attention weights adapt to each input), a specific mathematical form (dot-product similarities plus softmax weighting), and coupling of queries and keys to evolving hidden states (grounding attention in the current layer). However, the necessity of each of these principles remains largely untested. In this work, we systematically deconstruct attention by designing controlled variants that selectively relax these principles, applied both uniformly across all layers and in hybrid architectures where only some layers retain standard attention. Our empirical analysis reveals that mechanisms for mixing tokens are indispensable, as their absence collapses models to near-random behavior, while the exact mathematical form and sequence dependency can be substantially relaxed, especially when preserved in just a subset of layers. Surprisingly, even variants that fail in isolation can achieve robust performance when interleaved with standard attention, highlighting a cooperative effect. These findings deepen our understanding of what truly underpins attention's effectiveness and open new avenues for simplifying language models without sacrificing performance.

Although Large Language Models have advanced Automated Heuristic Design, treating algorithm evolution as a monolithic text generation task overlooks the coupling between discrete algorithmic structures and continuous numerical parameters. Consequently, existing methods often discard promising algorithms due to uncalibrated constants and suffer from premature convergence resulting from simple similarity metrics. To address these limitations, we propose TIDE, a Tuning-Integrated Dynamic Evolution framework designed to decouple structural reasoning from parameter optimization. TIDE features a nested architecture where an outer parallel island model utilizes Tree Similarity Edit Distance to drive structural diversity, while an inner loop integrates LLM-based logic generation with a differential mutation operator for parameter tuning. Additionally, a UCB-based scheduler dynamically prioritizes high-yield prompt strategies to optimize resource allocation. Extensive experiments across nine combinatorial optimization problems demonstrate that TIDE discovers heuristics that significantly outperform state-of-the-art baselines in solution quality while achieving improved search efficiency and reduced computational costs.

Flow-based generative models are powerful exact likelihood models with efficient sampling and inference. Despite their computational efficiency, flow-based models generally have much worse density modeling performance compared to state-of-the-art autoregressive models. In this paper, we investigate and improve upon three limiting design choices employed by flow-based models in prior work: the use of uniform noise for dequantization, the use of inexpressive affine flows, and the use of purely convolutional conditioning networks in coupling layers. Based on our findings, we propose Flow++, a new flow-based model that is now the state-of-the-art non-autoregressive model for unconditional density estimation on standard image benchmarks. Our work has begun to close the significant performance gap that has so far existed between autoregressive models and flow-based models. Our implementation is available at https://github.com/aravindsrinivas/flowpp

Pre-Phase-A design of lunar micro-rovers is dominated by tightly coupled mobility, power, thermal, and mass trades, yet conceptual-design tooling for the rapidly growing sub-50 kg class is typically proprietary, weakly benchmarked, or too slow to drive optimization. We contribute RoverDevKit, an open analytical evaluator coupling terramechanics, mass, power, thermal survival, and traverse that runs in 30ms per mission, fast enough to serve directly as a multi-objective optimizer's fitness function. Across mare, polar, highland, and crater-rim scenarios, NSGA-II Pareto fronts show that the binding design trade changes with mission profile within a single mass class: energy storage dominates at high latitude, slope traction on loose highland regolith, and traverse range on mare and crater-rim missions. Notably, rigid four-wheel layouts Pareto-dominate the full modeled mass range under smooth-regolith range-mass-slope objectives, contrary to the expectation that six-wheel architectures become optimal at heavier masses; six-wheel rocker-bogie layouts enter the Pareto set only once missions impose an obstacle-navigation requirement. The evaluator performance is benchmarked using both component and system checks: the terramechanics kernel matches measured single-wheel drawbar pull within the literature model-form band on two independent datasets, the bottom-up mass model predicts published in-class (5-50 kg) rover masses to 13.3% median absolute error, and a rediscovery check places real micro-rovers near the optimizer's fronts. Propagating the measured terramechanics error through the optimizer leaves the qualitative design rules unchanged. The tool, data, validation artifacts, and figure-generation scripts are released openly.

Multi-agent systems (MAS) are increasingly used for open-ended idea generation, driven by the expectation that collective interaction will broaden the exploration diversity. However, when and why such collaboration truly expands the solution space remains unclear. We present a systematic empirical study of diversity in MAS-based ideation across three bottom-up levels: model intelligence, agent cognition, and system dynamics. At the model level, we identify a compute efficiency paradox, where stronger, highly aligned models yield diminishing marginal diversity despite higher per-sample quality. At the cognition level, authority-driven dynamics suppress semantic diversity compared to junior-dominated groups. At the system level, group-size scaling yields diminishing returns and dense communication topologies accelerate premature convergence. We characterize these outcomes as collective failures emerging from structural coupling, a process where interaction inadvertently contracts agent exploration and triggers diversity collapse. Our analysis shows that this collapse arises primarily from the interaction structure rather than inherent model insufficiency, highlighting the importance of preserving independence and disagreement when designing MAS for creative tasks. Our code is available at https://github.com/Xtra-Computing/MAS_Diversity.

The Orbital Hall effect, which originates from materials with weak spin-orbit coupling, has attracted considerable interest for spin-orbitronic applications. Here, we demonstrate the inverse effect of the orbital Hall effect and observe orbitronic terahertz emission in the Ti and Mn materials. Through spin-orbit transition in the ferromagnetic layer, the generated orbital current can be converted to charge current in the Ti and Mn layers via the inverse orbital Hall effect. Furthermore, the inserted W layer provides an additional conversion of the orbital-charge current in the Ti and Mn layers, significantly enhancing the orbitronic terahertz emission. Moreover, the orbitronic terahertz emission can be manipulated by cooperating with the inverse orbital Hall effect and the inverse spin Hall effect in the different sample configurations. Our results not only discover the physical mechanism of condensed matter physics but also pave the way for designing promising spin-orbitronic devices and terahertz emitters.

LLM-based agents mark a shift from passive question answering to active task completion: they perceive environments, invoke tools, maintain state, and act over extended horizons. As agent systems have evolved from prompt engineering to workflows and context engineering, harness engineering, and agent-native training with co-evolution, a central question has become increasingly important: where does the bottleneck in agent performance reside, in the foundation model, in the execution harness, or in the coupling between them? This survey examines LLM-based agents through a model-harness lens. We first clarify the functional definition of agents and the implementation view of an LLM-based agent as a foundation model coupled with an execution harness. We then analyze the limits of model-centric scaling, trace four paradigms of agent engineering, and decompose the execution harness into six coupled runtime responsibilities: observation, context, control, action, state, and verification. Using this decomposition, we map task properties and domain pressures to harness configurations, review benchmark and evaluation practices, and synthesize model-harness evidence on how runtime design affects long-horizon task completion, efficiency, and reliability. Finally, we identify open challenges in value-aware evaluation, safety, harness generalization, and model-harness co-evolution. Rather than treating agents as models with auxiliary tools, this survey argues that agent quality -- including success, efficiency, safety, and generalization -- emerges from the interaction between model capability, runtime infrastructure, task structure, and evaluation design. A collection of papers discussed in this survey is provided in https://github.com/ggjy/Awesome-Agent-Engineering.

Pre-trained vision-language (V-L) models such as CLIP have shown excellent generalization ability to downstream tasks. However, they are sensitive to the choice of input text prompts and require careful selection of prompt templates to perform well. Inspired by the Natural Language Processing (NLP) literature, recent CLIP adaptation approaches learn prompts as the textual inputs to fine-tune CLIP for downstream tasks. We note that using prompting to adapt representations in a single branch of CLIP (language or vision) is sub-optimal since it does not allow the flexibility to dynamically adjust both representation spaces on a downstream task. In this work, we propose Multi-modal Prompt Learning (MaPLe) for both vision and language branches to improve alignment between the vision and language representations. Our design promotes strong coupling between the vision-language prompts to ensure mutual synergy and discourages learning independent uni-modal solutions. Further, we learn separate prompts across different early stages to progressively model the stage-wise feature relationships to allow rich context learning. We evaluate the effectiveness of our approach on three representative tasks of generalization to novel classes, new target datasets and unseen domain shifts. Compared with the state-of-the-art method Co-CoOp, MaPLe exhibits favorable performance and achieves an absolute gain of 3.45% on novel classes and 2.72% on overall harmonic-mean, averaged over 11 diverse image recognition datasets. Our code and pre-trained models are available at https://github.com/muzairkhattak/multimodal-prompt-learning.

This paper explores higher-resolution video outpainting with extensive content generation. We point out common issues faced by existing methods when attempting to largely outpaint videos: the generation of low-quality content and limitations imposed by GPU memory. To address these challenges, we propose a diffusion-based method called Follow-Your-Canvas. It builds upon two core designs. First, instead of employing the common practice of "single-shot" outpainting, we distribute the task across spatial windows and seamlessly merge them. It allows us to outpaint videos of any size and resolution without being constrained by GPU memory. Second, the source video and its relative positional relation are injected into the generation process of each window. It makes the generated spatial layout within each window harmonize with the source video. Coupling with these two designs enables us to generate higher-resolution outpainting videos with rich content while keeping spatial and temporal consistency. Follow-Your-Canvas excels in large-scale video outpainting, e.g., from 512X512 to 1152X2048 (9X), while producing high-quality and aesthetically pleasing results. It achieves the best quantitative results across various resolution and scale setups. The code is released on https://github.com/mayuelala/FollowYourCanvas

Embedding polygonal mesh assets within photorealistic Neural Radience Fields (NeRF) volumes, such that they can be rendered and their dynamics simulated in a physically consistent manner with the NeRF, is under-explored from the system perspective of integrating NeRF into the traditional graphics pipeline. This paper designs a two-way coupling between mesh and NeRF during rendering and simulation. We first review the light transport equations for both mesh and NeRF, then distill them into an efficient algorithm for updating radiance and throughput along a cast ray with an arbitrary number of bounces. To resolve the discrepancy between the linear color space that the path tracer assumes and the sRGB color space that standard NeRF uses, we train NeRF with High Dynamic Range (HDR) images. We also present a strategy to estimate light sources and cast shadows on the NeRF. Finally, we consider how the hybrid surface-volumetric formulation can be efficiently integrated with a high-performance physics simulator that supports cloth, rigid and soft bodies. The full rendering and simulation system can be run on a GPU at interactive rates. We show that a hybrid system approach outperforms alternatives in visual realism for mesh insertion, because it allows realistic light transport from volumetric NeRF media onto surfaces, which affects the appearance of reflective/refractive surfaces and illumination of diffuse surfaces informed by the dynamic scene.

Most artificial life simulators either operate on abstract substrates disconnected from physical reality, or simulate physically grounded worlds that do not scale to the population sizes required for open-ended evolution. We present Microcosmos, a simulation engine in which artificial lifeforms are modeled as elastic filament chains inhabiting a two-dimensional viscous fluid world, designed from the ground up for modern GPU hardware and end-to-end differentiable simulation. We validate the engine through four experiments. Hand-designed locomotion strategies confirm that the fluid coupling respects known physical constraints. Gradient-based optimization of filament folding demonstrates both the full differentiability of the simulator and the expressivity of the filament encodings. Neuroevolution and quality-diversity search produce a wide range of swimming and chemotaxis behaviors automatically. Linear scaling with particle count confirms the engine supports large-scale simulation. Microcosmos is released as an open platform with the long-term goal of supporting large-scale open-ended evolutionary simulations, designed to be physically plausible and computationally scalable.

Current multimodal reflection mechanisms for long video understanding predominantly rely on closed-loop self-reflection within internal parameters. Lacking objective external evidence, models are frequently trapped in blind confidence and often fail to correct errors. Furthermore, applying reinforcement learning to multi-stage reflection pipelines introduces severe policy coupling, which is exacerbated by a critical scarcity of dedicated training data. To address these limitations, this work proposes Reflect-R1, the first Evidence-Driven self-correction framework for long video understanding. The framework constructs a three-stage pipeline consisting of intuition, verification, and arbitration. By dynamically retrieving objective visual evidence to verify initial intuitions and autonomously executing multiple temporal searches to resolve conflicts, it completely breaks the hallucination loop. To overcome policy coupling, we design a stage-decoupled reinforcement learning algorithm named SD-GRPO that independently computes advantage functions across different reasoning stages. Concurrently, we construct a dataset of 120K samples to bridge the training data gap. Extensive experiments on benchmarks such as VideoMME and LongVideoBench demonstrate that Reflect-R1 achieves state-of-the-art performance. Our method significantly improves the genuine rectification rate and enables authentic self-correction strictly grounded in objective evidence.

Image captioning has long been regarded as a fundamental task in visual understanding. Recently, however, few large vision-language model (LVLM) research discusses model's image captioning performance because of the outdated short-caption benchmarks and unreliable evaluation metrics. In this work, we propose to benchmark detail image caption task by curating high-quality evaluation datasets annotated by human experts, GPT-4V and Gemini-1.5-Pro. We also design a more reliable caption evaluation metric called CAPTURE (CAPtion evaluation by exTracting and coUpling coRE information). CAPTURE extracts visual elements, e.g., objects, attributes and relations from captions, and then matches these elements through three stages, achieving the highest consistency with expert judgements over other rule-based or model-based caption metrics. The proposed benchmark and metric provide reliable evaluation for LVLM's detailed image captioning ability. Guided by this evaluation, we further explore to unleash LVLM's detail caption capabilities by synthesizing high-quality data through a five-stage data construction pipeline. Our pipeline only uses a given LVLM itself and other open-source tools, without any human or GPT-4V annotation in the loop. Experiments show that the proposed data construction strategy significantly improves model-generated detail caption data quality for LVLMs with leading performance, and the data quality can be further improved in a self-looping paradigm. All code and dataset will be publicly available at https://github.com/foundation-multimodal-models/CAPTURE.

In the past, normalizing generative flows have emerged as a promising class of generative models for natural images. This type of model has many modeling advantages: the ability to efficiently compute log-likelihood of the input data, fast generation and simple overall structure. Normalizing flows remained a topic of active research but later fell out of favor, as visual quality of the samples was not competitive with other model classes, such as GANs, VQ-VAE-based approaches or diffusion models. In this paper we revisit the design of the coupling-based normalizing flow models by carefully ablating prior design choices and using computational blocks based on the Vision Transformer architecture, not convolutional neural networks. As a result, we achieve state-of-the-art quantitative and qualitative performance with a much simpler architecture. While the overall visual quality is still behind the current state-of-the-art models, we argue that strong normalizing flow models can help advancing research frontier by serving as building components of more powerful generative models.

Autoregressive mesh generation has gained attention by tokenizing meshes into sequences and training models in a language-modeling fashion. However, existing approaches suffer from two fundamental limitations: (i) low tokenization efficiency, which yields long token sequences and prevents scaling to high-poly meshes, and (ii) absence of geometry-aware guidance, as generation is conditioned only on global shape embeddings rather than local surface cues. We introduce MeshWeaver, an autoregressive framework that treats mesh generation as a surface weaving process by directly predicting the next vertex instead of independent coordinates. At its core is a multi-level sparse-voxel encoder that injects geometric context into the generative process in three complementary ways: providing voxel features as vertex representations, guiding token prediction via cross-attention to voxel features, and serving as a structural scaffold that constrains generation around the input surface. Our hierarchical design enables coarse-to-fine vertex prediction in a single decoding step, while tightly coupling the generative model with 3D geometry. Extensive experiments demonstrate that MeshWeaver achieves a state-of-the-art compression ratio of 18%, can generate meshes with up to 16K faces, and significantly improves geometric fidelity over prior approaches.

World Action Models (WAMs) present a promising paradigm for robotic control via video prediction. However, current WAMs suffer from fundamental spatial bottlenecks: standard text inputs introduce referential ambiguity in cluttered scenes, while unstructured RGB predictions lack semantic grounding and remain biased by task-irrelevant backgrounds. To overcome these limitations, we introduce MaskWAM, an object-centric world-action model. By jointly integrating masks as both explicit inputs and predictions via a unified Mixture of Transformers (MoT), MaskWAM unlocks robust policy generalization. This design provides two key benefits: (1) predicting future masks yields object-centric semantic supervision that suppresses visual noise, significantly enhancing even standard text-conditioned WAMs; and (2) coupling this predictive supervision with first-frame visual prompts, such as target object masks, establishes a precise spatial anchor that substantially reduces language ambiguity. Crucially, as WAMs are inherently vision-driven architectures, direct mask conditioning yields substantially stronger guidance than text alone, establishing a precise and robust paradigm for manipulating unseen objects. Evaluations on LIBERO, RoboTwin, and real-world tasks demonstrate that MaskWAM significantly outperforms baselines in both language-clear and language-ambiguous tasks.

Multi-agent policy optimization, exemplified by PPO-based methods, is a key branch of cooperative Multi-Agent Reinforcement Learning (MARL). A central design question is how many neighboring agentsIn this paper, "neighbors" refer not only to physical proximity but also to agents whose actions influence one another. to aggregate in order to effectively utilize global information for cooperation. This decision must be made along two dimensions: in the advantage (which agents' rewards contribute to the credit signal) and in the ratio (which agents' likelihood ratios form the clipped importance weight). Existing methods occupy scattered, underexplored points on these two axes: IPPO treats both separately; MAPPO pairs a team-level advantage with per-agent ratios; HAPPO employs sequential ratios with per-agent advantages; and single-agent reductions operating on factorized joint policies aggregate both into fully joint products. We formalize these two design choices as support matrices SA and SR, and prove a canonical structure: the expected multi-agent policy optimization objective depends on the pair (SA,SR) only through their matrix product tS=SRSA. This yields two key consequences: (i) Redundancy: the two support matrices are interchangeable with respect to the signal, meaning neither aggregation pattern is inherently superior.(ii) Variance Ordering: the advantage aggregates rewards as a sum (additive variance with an interior bias-variance optimum at the coupling neighborhood), whereas the ratio aggregates likelihood ratios as a product (multiplicative variance that grows exponentially with support size, with no accompanying bias reduction). The resulting design principle is unambiguous: aggregate neighbors in the advantage, sized to the coupling neighborhood, and keep the ratio per-agent.

Deep search requires LLM agents to decompose complex queries, search for evidence, and synthesize grounded answers, yet existing ReAct-style agents suffer from two limitations: role coupling, where one policy must handle planning, evidence use, and synthesis; and context accumulation, where growing search histories introduce noise and obscure useful information. To address these issues, we propose IterSynth, a role-decoupled and summary-based paradigm that alternates between a Planner for identifying information needs and a Synthesizer for integrating evidence into an evolving summary state. This design separates planning from synthesis while using the summary as the persistent state of search, reducing both capability coupling and context noise. To train IterSynth effectively, we further introduce Role-Decoupled Policy Optimization (RDPO) for reinforcement learning, which combines terminal outcome rewards with turn-level rubric evaluations and computes role-specific advantages for more precise credit assignment. Experiments on five long-horizon deep-search benchmarks such as BrowseComp and Xbench-DS show that IterSynth-8B achieves an average score of 50.7, surpassing the strongest prior leq8B agent by +4.2\%. Moreover, IterSynth serves as a model-agnostic prompting paradigm, delivering substantial zero-shot gains over ReAct and similar prompting paradigms on frontier proprietary models.

Multimodal Large Language Models (MLLMs) have demonstrated strong performance on vision-language tasks, yet their internal visual representations remain difficult to interpret. Sparse Autoencoders (SAEs) provide a scalable way to decompose dense model activations into sparse, interpretable features. However, existing SAE architectures primarily recover flat feature dictionaries and are less suited for explicit multi-level concept organization. In this paper, we introduce a cascaded sparse autoencoder architecture, dubbed SAE++, for learning hierarchical visual concepts in MLLMs. Rather than nesting or stacking SAE sparse activation codes, SAE++ trains a second-level SAE directly on the decoder weights of the first-level SAE, treating learned low-level feature directions as inputs for higher-level abstraction. This design enables SAE++ to learn "concepts of concepts" while avoiding drawbacks from the shared-prefix coupling of nesting, Matryoshka-style hierarchies and the bottlenecks of naively stacked SAEs. Experiments across Qwen3-VL, Gemma-3, and LLaVA on multiple visual datasets show that SAE++ improves interpretability in terms of hierarchical concept coherence over state-of-the-art SAE baselines. Results on concept steering further demonstrate that the learned concept groups support effective group-level interventions in MLLM outputs. Code is available at https://github.com/Wang-ML-Lab/sae-plus-plus.

In large-scale pretraining, the algorithm, architecture, and systems decisions are conventionally made in disconnected stages. A scaling law stage selects an architecture and training recipe, optimizing loss under compute constraints, and a separate systems stage then optimizes the implementation for hardware efficiency. In this work, we develop MOSAIC, which formulates model architecture and systems co-design as an optimization problem. MOSAIC couples a predictive scaling law with a calibrated performance model that estimates Model FLOPs Utilization (MFU), communication cost, memory footprint, and the best parallel layout. We instantiate the framework for sparse Mixture-of-Experts (MoE) language models, where expert count, routing sparsity, and other MoE layer dimensions affect both the loss and systems efficiency. We fit a scaling law on sparse MoE models trained on text data, whose scaling dimensions include the sparsity factor, which is the fraction of model parameters inactive per token in a forward pass. The scaling law sweeps in our work span active parameters from 104 million to 2.7 billion and total model sizes reaching 79 billion parameters. We show that, within the calibrated sparsity range, an efficiency-agnostic model-FLOPs budget admits no interior optimal sparsity. The fitted loss decreases monotonically with sparser models and the compute optimum lies at the upper boundary of the data support. An optimal sparsity in MoE models instead emerges under the cluster's systems constraints, as captured by MOSAIC. Our results argue for a shift towards unified architecture and systems co-design for frontier language model training.

Last year, multimodal architectures served up a revolution in AI-based approaches and solutions, extending the capabilities of large language models (LLM). We propose an OmniFusion model based on a pretrained LLM and adapters for visual modality. We evaluated and compared several architecture design principles for better text and visual data coupling: MLP and transformer adapters, various CLIP ViT-based encoders (SigLIP, InternVIT, etc.), and their fusing approach, image encoding method (whole image or tiles encoding) and two 7B LLMs (the proprietary one and open-source Mistral). Experiments on 8 visual-language benchmarks show the top score for the best OmniFusion setup in terms of different VQA tasks in comparison with open-source LLaVA-like solutions: VizWiz, Pope, MM-Vet, ScienceQA, MMBench, TextVQA, VQAv2, MMMU. We also propose a variety of situations, where OmniFusion provides highly-detailed answers in different domains: housekeeping, sightseeing, culture, medicine, handwritten and scanned equations recognition, etc. Mistral-based OmniFusion model is an open-source solution with weights, training and inference scripts available at https://github.com/AIRI-Institute/OmniFusion.

Vanilla Federated learning (FL) relies on the centralized global aggregation mechanism and assumes that all clients are honest. This makes it a challenge for FL to alleviate the single point of failure and dishonest clients. These impending challenges in the design philosophy of FL call for blockchain-based federated learning (BFL) due to the benefits of coupling FL and blockchain (e.g., democracy, incentive, and immutability). However, one problem in vanilla BFL is that its capabilities do not follow adopters' needs in a dynamic fashion. Besides, vanilla BFL relies on unverifiable clients' self-reported contributions like data size because checking clients' raw data is not allowed in FL for privacy concerns. We design and evaluate a novel BFL framework, and resolve the identified challenges in vanilla BFL with greater flexibility and incentive mechanism called FAIR-BFL. In contrast to existing works, FAIR-BFL offers unprecedented flexibility via the modular design, allowing adopters to adjust its capabilities following business demands in a dynamic fashion. Our design accounts for BFL's ability to quantify each client's contribution to the global learning process. Such quantification provides a rational metric for distributing the rewards among federated clients and helps discover malicious participants that may poison the global model.

Automated decision systems produce operational data across multiple infrastructure layers, yet no single logging format captures the complete governance-relevant record of how a decision was reached. Regulatory frameworks prescribe what must be recorded without specifying a data model for how to record it -- a gap this paper terms the Fragmented Trace Problem. Following a design science methodology, the paper presents the Decision Event Schema (DES), a JSON Schema specification that bridges four infrastructure layers -- ML inference, rule/policy evaluation, cross-system coupling, and governance metadata -- within a single per-decision event structure. The schema employs degradation-aware field design: each of six top-level field groups maps to a governance evidence property and the degradation type it must resist. DES defines ten required root-level fields and introduces a tiered evidence strategy (lightweight, sampled, full) that enables organizations to match evidence completeness to decision risk and throughput. A mechanism feasibility analysis demonstrates compatibility with the highest-throughput integrity mechanisms at production-scale decision rates. Evaluation against 25+ existing formats confirms that DES is the only specification covering all four layers simultaneously. The schema offers practitioners a reference adoptable directly or adaptable through namespace extensions, and regulators a mapping from requirements to minimum evidence tiers.

Therapeutic mRNA design requires coordinating multiple interacting sequence features across the full transcript, where codon usage, untranslated regions (UTRs), and their coupling jointly determine stability, translation efficiency, and protein expression. Here, we present mRNA generation via unrolled trajectories and informed latent updates (mRNAutilus), a framework for simultaneous codon optimization and de novo UTR design directly from sequence. mRNAutilus combines a masked discrete diffusion model trained on millions of full-length mRNAs with Monte Carlo Tree Guidance to generate Pareto-efficient sequences under multiple functional objectives, using lightweight regressors over model embeddings to predict half-life, translation efficiency, and protein abundance. Unlike recent methods that design coding sequences and UTRs separately or rely on post hoc assembly and screening, mRNAutilus generates complete transcripts in a single process optimized across properties. Across diverse targets, zero-shot mRNAs encoding P. pyralis luciferase achieve over 400-fold higher expression than wild-type and outperform commercial and machine learning-designed baselines, including zero-shot generative approaches. Zero-shot SARS-CoV-2 Spike mRNAs exceed clinically used and commercial constructs and match or surpass lab-optimized designs with improved durability. We further demonstrate generality in therapeutic settings, including prime editing (PEMax) and programmable proteome modulation, where mRNAutilus-designed constructs enhance expression of peptide-guided E3 ligases (uAbs) for beta-catenin degradation. These results establish a sequence-based, multi-objective framework for generating functional mRNAs tailored to diverse biological applications.

This paper studies communication-aware safe control for discrete-time linear multi-agent systems under limited information exchange. The main challenge lies in the coupling between remote-state estimation and safe controller design, since estimation errors affect the state evolution through the controller gains, while the controller design must account for the resulting observer-induced state perturbations to guarantee safety. To address this challenge, a distributed k-hop observer is developed to reconstruct unavailable remote states, and a uniform observer-error bound is derived. The effect of the observer-induced state perturbation on closed-loop safety is accounted for in both the construction of local εi-robust safe invariant (RSI) sets and the enforcement of pairwise relative-state safety constraints. The resulting safety conditions ensure that all agents remain within their local RSI sets while all pairwise relative-state safety constraints are satisfied. A linear matrix inequality (LMI)-based optimization method is developed to jointly synthesize the distributed observers, local controllers, and RSI sets. A case study illustrates the effectiveness of the proposed method.

Pan-sharpening aims to generate a high-resolution multispectral (HRMS) image by integrating the spectral information of a low-resolution multispectral (LRMS) image with the texture details of a high-resolution panchromatic (PAN) image. It essentially inherits the ill-posed nature of the super-resolution (SR) task that diverse HRMS images can degrade into an LRMS image. However, existing deep learning-based methods recover only one HRMS image from the LRMS image and PAN image using a deterministic mapping, thus ignoring the diversity of the HRMS image. In this paper, to alleviate this ill-posed issue, we propose a flow-based pan-sharpening network (PanFlowNet) to directly learn the conditional distribution of HRMS image given LRMS image and PAN image instead of learning a deterministic mapping. Specifically, we first transform this unknown conditional distribution into a given Gaussian distribution by an invertible network, and the conditional distribution can thus be explicitly defined. Then, we design an invertible Conditional Affine Coupling Block (CACB) and further build the architecture of PanFlowNet by stacking a series of CACBs. Finally, the PanFlowNet is trained by maximizing the log-likelihood of the conditional distribution given a training set and can then be used to predict diverse HRMS images. The experimental results verify that the proposed PanFlowNet can generate various HRMS images given an LRMS image and a PAN image. Additionally, the experimental results on different kinds of satellite datasets also demonstrate the superiority of our PanFlowNet compared with other state-of-the-art methods both visually and quantitatively.

As working with large datasets becomes standard, the task of accurately retrieving images containing objects of interest by an open set textual query gains practical importance. The current leading approach utilizes a pre-trained CLIP model without any adaptation to the target domain, balancing accuracy and efficiency through additional post-processing. In this work, we propose FOR: Finetuning for Object-centric Open-vocabulary Image Retrieval, which allows finetuning on a target dataset using closed-set labels while keeping the visual-language association crucial for open vocabulary retrieval. FOR is based on two design elements: a specialized decoder variant of the CLIP head customized for the intended task, and its coupling within a multi-objective training framework. Together, these design choices result in a significant increase in accuracy, showcasing improvements of up to 8 mAP@50 points over SoTA across three datasets. Additionally, we demonstrate that FOR is also effective in a semi-supervised setting, achieving impressive results even when only a small portion of the dataset is labeled.

Generative discovery in science requires coupling high-level scientific reasoning with the ability to generate samples respecting the structure of a design space. Yet these capabilities remain largely separated: foundation LLMs encode broad chemical and biological knowledge, while domain-specific flow- and diffusion-based generators capture the priors needed to produce valid sequences and geometries. We study how to align such scientific generators to high-level natural-language discovery goals without requiring an explicit proxy reward, which is often unavailable or poorly captured by learned predictors in experimental sciences. We introduce LLM-to-Flow Distillation (LFD), where a frozen LLM acts as an adaptive teacher for a domain-specific generator. Given a goal such as 'generate peptides with promising anticancer activity', the teacher constructs a curriculum of intermediate sub-goals aware of the flow's current capabilities, and progressively directs them toward the original discovery goal. At each round, the LLM judges sampled candidates under the current objective. These judgments induce preferences that are iteratively distilled into the generator through DPO. This procedure provides dense learning signals even when the initial model places negligible probability on designs satisfying the final goal, enabling adaptation toward poorly covered, out-of-distribution regions. Experiments on therapeutic peptides and small-molecule structure design demonstrate that LFD enables a new form of generative control: aligning arbitrary domain-specific scientific generators to scientific discovery tasks expressed via high-level natural-language goals.

Egocentric Interactive hand-object segmentation (EgoIHOS) requires the segmentation of hands and interacting objects in egocentric images, which is crucial for understanding human behavior in assistive systems. Previous methods typically recognize hands and interacting objects as distinct semantic categories based solely on visual features, or simply use hand predictions as auxiliary cues for object segmentation. Despite the promising progress achieved by these methods, they fail to adequately model the interactive relationships between hands and objects while ignoring the coupled physical relationships among object categories, ultimately constraining their segmentation performance. To make up for the shortcomings of existing methods, we propose a novel method called CaRe-Ego that achieves state-of-the-art performance by emphasizing the contact between hands and objects from two aspects. First, we introduce a Hand-guided Object Feature Enhancer (HOFE) to establish the hand-object interactive relationships to extract more contact-relevant and discriminative object features. Second, we design the Contact-centric Object Decoupling Strategy (CODS) to explicitly model and disentangle coupling relationships among object categories, thereby emphasizing contact-aware feature learning. Experiments on various in-domain and out-of-domain test sets show that Care-Ego significantly outperforms existing methods with robust generalization capability. Codes are publicly available at https://github.com/yuggiehk/CaRe-Ego/.

Scientific applications increasingly demand real-time surrogate models that can capture the behavior of strongly coupled multiphysics systems driven by multiple input functions, such as in thermo-mechanical and electro-thermal processes. While neural operator frameworks, such as Deep Operator Networks (DeepONets), have shown considerable success in single-physics settings, their extension to multiphysics problems remains poorly understood. In particular, the challenge of learning nonlinear interactions between tightly coupled physical fields has received little systematic attention. This study addresses a foundational question: should the architectural design of a neural operator reflect the strength of physical coupling it aims to model? To answer this, we present the first comprehensive, architecture-aware evaluation of DeepONet variants across three regimes: single-physics, weakly coupled, and strongly coupled multiphysics systems. We consider a reaction-diffusion equation with dual spatial inputs, a nonlinear thermo-electrical problem with bidirectional coupling through temperature-dependent conductivity, and a viscoplastic thermo-mechanical model of steel solidification governed by transient phase-driven interactions. Two operator-learning frameworks, the classical DeepONet and its sequential GRU-based extension, S-DeepONet, are benchmarked using both single-branch and multi-branch (MIONet-style) architectures. Our results demonstrate that architectural alignment with physical coupling is crucial: single-branch networks significantly outperform multi-branch counterparts in strongly coupled settings, whereas multi-branch encodings offer advantages for decoupled or single-physics problems. Once trained, these surrogates achieve full-field predictions up to 1.8e4 times faster than high-fidelity finite-element solvers, without compromising solution accuracy.

As large language models advance, AI agents are moving beyond isolated, domain-specific tasks toward long-horizon, cross-domain workflows. This transition exposes two challenges: increasing harness complexity makes manual design difficult to scale, while tighter coupling to specific domains limits the generality of a single harness. The central question thus shifts from how to engineer a stronger harness for one domain to how to autonomously construct specialized harnesses, improve them through experience, and orchestrate them across domains. We introduce Raven, The Harness of Harnesses, an open-source multi-agent ecosystem that automatically constructs and evolves modular harnesses for specific models and domains, treating each executable model--harness pair as a composable unit of intelligence. To support an All-Domain Collaboration Network, its Host Agent decomposes goals, matches subtasks to specialized agents, coordinates execution dependencies, and integrates results, while a host archive and EverOS preserve experience across tasks and Skill Forge makes that experience available as reusable procedures. Our theory establishes sufficient conditions for such composition to expand reliable task coverage beyond that of the available individual agents under a shared resource budget. On complex and long-horizon tasks, Raven significantly outperforms the state-of-the-art agent systems, pushing the frontier of composable agentic intelligence.

Unsupervised image-to-image translation methods learn to map images in a given class to an analogous image in a different class, drawing on unstructured (non-registered) datasets of images. While remarkably successful, current methods require access to many images in both source and destination classes at training time. We argue this greatly limits their use. Drawing inspiration from the human capability of picking up the essence of a novel object from a small number of examples and generalizing from there, we seek a few-shot, unsupervised image-to-image translation algorithm that works on previously unseen target classes that are specified, at test time, only by a few example images. Our model achieves this few-shot generation capability by coupling an adversarial training scheme with a novel network design. Through extensive experimental validation and comparisons to several baseline methods on benchmark datasets, we verify the effectiveness of the proposed framework. Our implementation and datasets are available at https://github.com/NVlabs/FUNIT .

3D policy learning promises superior generalization and cross-embodiment transfer, but progress has been hindered by training instabilities and severe overfitting, precluding the adoption of powerful 3D perception models. In this work, we systematically diagnose these failures, identifying the omission of 3D data augmentation and the adverse effects of Batch Normalization as primary causes. We propose a new architecture coupling a scalable transformer-based 3D encoder with a diffusion decoder, engineered specifically for stability at scale and designed to leverage large-scale pre-training. Our approach significantly outperforms state-of-the-art 3D baselines on challenging manipulation benchmarks, establishing a new and robust foundation for scalable 3D imitation learning. Project Page: https://r3d-policy.github.io/

Modern code generation has made significant strides in functional correctness and execution efficiency. However, these systems often overlook a critical dimension in real-world software development: maintainability. To handle dynamic requirements with minimal rework, we propose MaintainCoder as a pioneering solution. It integrates the Waterfall model, design patterns, and multi-agent collaboration to systematically enhance cohesion, reduce coupling, achieving clear responsibility boundaries and better maintainability. We also introduce MaintainCoder, a benchmark comprising requirement changes and novel dynamic metrics on maintenance efforts. Experiments demonstrate that existing code generation methods struggle to meet maintainability standards when requirements evolve. In contrast, MaintainCoder improves dynamic maintainability metrics by more than 60% with even higher correctness of initial codes. Furthermore, while static metrics fail to accurately reflect maintainability and even contradict each other, our proposed dynamic metrics exhibit high consistency. Our work not only provides the foundation for maintainable code generation, but also highlights the need for more realistic and comprehensive code generation research. Resources: https://github.com/IAAR-Shanghai/MaintainCoder.

As autonomous coding agents become capable of handling increasingly long-horizon tasks, they have gradually demonstrated the potential to complete end-to-end software development. Although existing benchmarks have recently evolved from localized code editing to from-scratch project generation, they remain confined to structurally simplified, single-stack applications. Consequently, they fail to capture the heterogeneous environments, full-stack orchestration, and system-level complexity of real enterprise Software as a Service (SaaS) systems, leaving a critical gap in assessing agents under realistic engineering constraints. To fill this gap, we introduce SaaSBench, the first benchmark designed to explore the boundaries of AI agents in enterprise SaaS engineering. Spanning 30 complex tasks across 6 SaaS domains with 5,370 validation nodes, it incorporates 8 programming languages, 6 databases, and 13 frameworks to meticulously mirror real-world software heterogeneity. Furthermore, we design a dependency-aware hybrid evaluation paradigm tailored for complex systems with long horizons and multi-component coupling, enabling fine-grained, reproducible assessment. Crucially, our extensive experiments reveal a striking insight: the primary bottleneck for state-of-the-art agents is not generating isolated code logic, but successfully configuring and integrating a multi-component system. Over 95\% of task failures occur before agents even reach deep business logic, with models often falling victim to overconfidence and prematurely halting during foundational system setup, or getting trapped in ineffective debugging loops. We hope SaaSBench serves as a practical and challenging testbed to drive the evolution of reliable, system-level coding agents. The code is available at https://github.com/ShadeCloak/SaaSbench.

The ongoing development of Lean 4's Mathlib has produced a macroscopic structural complexity that interweaves logical, mathematical, and infrastructural dependencies. We present a network analysis of this library, extracting its dependency structure into a multilayer graph of 308,129 declarations, 8.4 million edges, and 7,563 modules. By introducing graph decompositions that isolate explicit edges from those synthesized by the compiler or driven by proofs, we quantify the structural properties of formalized mathematics. Our analysis reveals three findings. First, taxonomies designed by humans diverge from logical structures, exhibiting a 50.9% coupling across namespaces. Second, developers utilize a median of 1.6% of the imported scope. Third, formalization compresses semantic hierarchies, with network centrality capturing language infrastructure rather than mathematical relevance.

3D Gaussian Splatting (3DGS) has emerged as a powerful technique for real-time novel view synthesis. As an explicit representation optimized through gradient propagation among primitives, optimization widely accepted in deep neural networks (DNNs) is actually adopted in 3DGS, such as synchronous weight updating and Adam with the adaptive gradient. However, considering the physical significance and specific design in 3DGS, there are two overlooked details in the optimization of 3DGS: (i) update step coupling, which induces optimizer state rescaling and costly attribute updates outside the viewpoints, and (ii) gradient coupling in the moment, which may lead to under- or over-effective regularization. Nevertheless, such a complex coupling is under-explored. After revisiting the optimization of 3DGS, we take a step to decouple it and recompose the process into: Sparse Adam, Re-State Regularization and Decoupled Attribute Regularization. Taking a large number of experiments under the 3DGS and 3DGS-MCMC frameworks, our work provides a deeper understanding of these components. Finally, based on the empirical analysis, we re-design the optimization and propose AdamW-GS by re-coupling the beneficial components, under which better optimization efficiency and representation effectiveness are achieved simultaneously.

Contrastive audio-language pretraining yields powerful joint representations, yet a persistent audio-text modality gap limits the benefits of coupling multimodal encoders with large language models (LLMs). We present Diffusion-Link, a diffusion-based modality-bridging module that generatively maps audio embeddings into the text-embedding distribution. The module is trained at the output embedding from the frozen multimodal encoder and implemented as a lightweight network with three residual MLP blocks. To assess the effect of Diffusion-Link on multimodal encoder-LLM coupling, we evaluate on Automatic Audio Captioning (AAC); to our knowledge, this is the first application of diffusion-based modality bridging to AAC. We report two results. (1) Modality-gap analysis: on similarity and geometric criteria, Diffusion-Link reduces the modality gap the most among prior diffusion-based methods and shows a collective migration of audio embeddings toward the text distribution. (2) Downstream AAC: attaching Diffusion-Link to the same multimodal LLM baseline achieves state-of-the-art on AudioCaps in both zero-shot and fully supervised captioning without external knowledge, with relative gains up to 52.5% and 7.5%, respectively. These findings show that closing the modality gap is pivotal for effective coupling between multimodal encoders and LLMs, and diffusion-based modality bridging offers a promising direction beyond knowledge-retrieval-centric designs. Code will be released upon acceptance https://github.com/DevKiHyun/Diffusion-Link

At a fraction the total cost of an equivalent orbital mission, scientific balloon-borne platforms, operating above 99.7% of the Earth's atmosphere, offer attractive, competitive, and effective observational capabilities -- namely space-like resolution, transmission, and backgrounds -- that are well suited for modern astronomy and cosmology. SuperBIT is a diffraction-limited, wide-field, 0.5 m telescope capable of exploiting these observing conditions in order to provide exquisite imaging throughout the near-IR to near-UV. It utilizes a robust active stabilization system that has consistently demonstrated a 1 sigma sky-fixed pointing stability at 48 milliarcseconds over multiple 1 hour observations at float. This is achieved by actively tracking compound pendulations via a three-axis gimballed platform, which provides sky-fixed telescope stability at < 500 milliarcseconds and corrects for field rotation, while employing high-bandwidth tip/tilt optics to remove residual disturbances across the science imaging focal plane. SuperBIT's performance during the 2019 commissioning flight benefited from a customized high-fidelity science-capable telescope designed with exceptional thermo- and opto-mechanical stability as well as tightly constrained static and dynamic coupling between high-rate sensors and telescope optics. At the currently demonstrated level of flight performance, SuperBIT capabilities now surpass the science requirements for a wide variety of experiments in cosmology, astrophysics and stellar dynamics.

Diffusion-based world models have shown strong potential for unified world simulation, but the iterative denoising remains too costly for interactive use and long-horizon rollouts. While feature caching can accelerate inference without training, we find that policies designed for single-modal diffusion transfer poorly to world models due to two world-model-specific obstacles: token heterogeneity from multi-modal coupling and spatial variation, and non-uniform temporal dynamics where a small set of hard tokens drives error growth, making uniform skipping either unstable or overly conservative. We propose WorldCache, a caching framework tailored to diffusion world models. We introduce Curvature-guided Heterogeneous Token Prediction, which uses a physics-grounded curvature score to estimate token predictability and applies a Hermite-guided damped predictor for chaotic tokens with abrupt direction changes. We also design Chaotic-prioritized Adaptive Skipping, which accumulates a curvature-normalized, dimensionless drift signal and recomputes only when bottleneck tokens begin to drift. Experiments on diffusion world models show that WorldCache delivers up to 3.7times end-to-end speedups while maintaining 98\% rollout quality, demonstrating the vast advantages and practicality of WorldCache in resource-constrained scenarios. Our code is released in https://github.com/FofGofx/WorldCache.

In this paper, we introduce WorldSense, the first benchmark to assess the multi-modal video understanding, that simultaneously encompasses visual, audio, and text inputs. In contrast to existing benchmarks, our WorldSense has several features: (i) collaboration of omni-modality, we design the evaluation tasks to feature a strong coupling of audio and video, requiring models to effectively utilize the synergistic perception of omni-modality; (ii) diversity of videos and tasks, WorldSense encompasses a diverse collection of 1,662 audio-visual synchronised videos, systematically categorized into 8 primary domains and 67 fine-grained subcategories to cover the broad scenarios, and 3,172 multi-choice QA pairs across 26 distinct tasks to enable the comprehensive evaluation; (iii) high-quality annotations, all the QA pairs are manually labeled by 80 expert annotators with multiple rounds of correction to ensure quality. Based on our WorldSense, we extensively evaluate various state-of-the-art models. The experimental results indicate that existing models face significant challenges in understanding real-world scenarios (48.0% best accuracy). We hope our WorldSense can provide a platform for evaluating the ability in constructing and understanding coherent contexts from omni-modality.

Few-step distillation accelerates diffusion models but must balance diversity and fidelity: trajectory-based distillation preserves mode coverage, while distribution matching sharpens samples but can reduce diversity. We show that this tension can be exploited in a noise-regime-dependent way: high-noise steps largely determine global modes, whereas low-noise steps refine local details. We propose CrossDistill, a trajectory-level hybrid distillation framework that splits the sampling trajectory at a crossover point, applies a trajectory-preserving objective on the high-noise interval and a distribution-matching objective on the low-noise interval, and couples the two stages through the crossover state. In contrast to loss-level mixing, and complementarily to training-time two-stage recipes, CrossDistill explicitly assigns complementary objectives along the noise axis, so that global branching is preserved before local statistics are sharpened. CrossDistill is a noise-level scheduling policy: PCM and DMD are plug-in instantiations, while the noise partition, crossover coupling, and objective ordering are the key design elements. Experiments on text-to-video diffusion models and qualitative image-to-video results show that CrossDistill expands the few-step quality-diversity frontier, retaining seed-level variation while achieving competitive visual fidelity.

Objective. Deformable image registration remains challenging because corresponding anatomy may exhibit different intensity relationships. Hand-crafted modality-robust descriptors such as Modality-Independent Neighborhood Descriptor with Self-Similarity Context (MIND-SSC) and features from pretrained vision encoders provide distinct representations for correspondence estimation, but how they should be combined remains unclear. We investigate whether tighter integration improves registration over a sequential, scale-separated design. Approach. We introduce FlexiMIND, a training-free and label-free two-stage framework in which frozen FlexiCT-2D encoder features establish contextual correspondence and MIND-SSC refines the deformation within ConvexAdam. Five alternative feature-coupling strategies were evaluated under a protocol across CT-CT (DIR-Lab 4DCT 4DCT, 10 cases), MR-MR (ACDC, 50 patients), and MR-CT (Learn2Reg Abdomen MR-CT, 8 pairs) registration. Performance was assessed using target registration error (TRE), Dice similarity coefficient (Dice), SDlogJ, and local folding. Main results. FlexiMIND achieved a TRE of 1.27 mm on DIR-Lab 4DCT, a DSC of 0.807 on ACDC, and an organ-averaged DSC of 0.825 on Abdomen MR-CT. Across 15 coupling-strategy dataset comparisons, only four outperformed the reference method, with a maximum absolute improvement of 0.0043 in Dice, whereas degradation reached 20.6 % in TRE and 37.9 % in Dice. Changes in registration accuracy were closely associated with changes in deformation-field regularity, and strategies that better preserved regularity generally remained closest to the reference performance. Landmark-level analysis showed that the pretrained encoder stage primarily reduced large correspondence errors rather than uniformly improving local precision. Code is available upon acceptance at https://github.com/mosaf/FlexiMIND.

Modern climate projections lack adequate spatial and temporal resolution due to computational constraints. A consequence is inaccurate and imprecise predictions of critical processes such as storms. Hybrid methods that combine physics with machine learning (ML) have introduced a new generation of higher fidelity climate simulators that can sidestep Moore's Law by outsourcing compute-hungry, short, high-resolution simulations to ML emulators. However, this hybrid ML-physics simulation approach requires domain-specific treatment and has been inaccessible to ML experts because of lack of training data and relevant, easy-to-use workflows. We present ClimSim, the largest-ever dataset designed for hybrid ML-physics research. It comprises multi-scale climate simulations, developed by a consortium of climate scientists and ML researchers. It consists of 5.7 billion pairs of multivariate input and output vectors that isolate the influence of locally-nested, high-resolution, high-fidelity physics on a host climate simulator's macro-scale physical state. The dataset is global in coverage, spans multiple years at high sampling frequency, and is designed such that resulting emulators are compatible with downstream coupling into operational climate simulators. We implement a range of deterministic and stochastic regression baselines to highlight the ML challenges and their scoring. The data (https://huggingface.co/datasets/LEAP/ClimSim_high-res, https://huggingface.co/datasets/LEAP/ClimSim_low-res, and https://huggingface.co/datasets/LEAP/ClimSim_low-res_aqua-planet) and code (https://leap-stc.github.io/ClimSim) are released openly to support the development of hybrid ML-physics and high-fidelity climate simulations for the benefit of science and society.

In recent years, notable advancements have been made in the domain of visual document understanding, with the prevailing architecture comprising a cascade of vision and language models. The text component can either be extracted explicitly with the use of external OCR models in OCR-based approaches, or alternatively, the vision model can be endowed with reading capabilities in OCR-free approaches. Typically, the queries to the model are input exclusively to the language component, necessitating the visual features to encompass the entire document. In this paper, we present VisFocus, an OCR-free method designed to better exploit the vision encoder's capacity by coupling it directly with the language prompt. To do so, we replace the down-sampling layers with layers that receive the input prompt and allow highlighting relevant parts of the document, while disregarding others. We pair the architecture enhancements with a novel pre-training task, using language masking on a snippet of the document text fed to the visual encoder in place of the prompt, to empower the model with focusing capabilities. Consequently, VisFocus learns to allocate its attention to text patches pertinent to the provided prompt. Our experiments demonstrate that this prompt-guided visual encoding approach significantly improves performance, achieving state-of-the-art results on various benchmarks.

We tackle the problem of generating a complete vector map representation from aerial imagery in a single run: producing polygons for all land-cover classes with shared boundaries and without gaps or overlaps. Existing polygonization methods are typically class-specific; extending them to multiple classes via per-class runs commonly leads to topological inconsistencies, such as duplicated edges, gaps, and overlaps. We formalize this new task as All-Class Polygonal Vectorization (ACPV) and release the first public benchmark, Deventer-512, with standardized metrics jointly evaluating semantic fidelity, geometric accuracy, vertex efficiency, per-class topological fidelity and global topological consistency. To realize ACPV, we propose ACPV-Net, a unified framework introducing a novel Semantically Supervised Conditioning (SSC) mechanism coupling semantic perception with geometric primitive generation, along with a topological reconstruction that enforces shared-edge consistency by design. While enforcing such strict topological constraints, ACPV-Net surpasses all class-specific baselines in polygon quality across classes on Deventer-512. It also applies to single-class polygonal vectorization without any architectural modification, achieving the best-reported results on WHU-Building. Data, code, and models will be released at: https://github.com/HeinzJiao/ACPV-Net.

Relational graph neural networks (RGNNs) are graph neural networks (GNNs) with dedicated structures for modeling the different types of nodes and/or edges in heterogeneous graphs. While RGNNs have been increasingly adopted in many real-world applications due to their versatility and accuracy, they pose performance and system design challenges due to their inherent computation patterns, gap between the programming interface and kernel APIs, and heavy programming efforts in optimizing kernels caused by their coupling with data layout and heterogeneity. To systematically address these challenges, we propose Pigeon, a novel two-level intermediate representation (IR) and its code generator framework, that (a) represents the key properties of the RGNN models to bridge the gap between the programming interface and kernel APIs, (b) decouples model semantics, data layout, and operators-specific optimization from each other to reduce programming efforts, (c) expresses and leverages optimization opportunities in inter-operator transforms, data layout, and operator-specific schedules. By building on one general matrix multiply (GEMM) template and a node/edge traversal template, Pigeon achieves up to 7.8x speed-up in inference and 5.6x speed-up in training compared with the state-of-the-art public systems in select models, i.e., RGCN, RGAT, HGT, when running heterogeneous graphs provided by Deep Graph Library (DGL) and Open Graph Benchmark (OGB). Pigeon also triggers fewer out-of-memory (OOM) errors. In addition, we propose linear operator fusion and compact materialization to further accelerate the system by up to 2.2x.

Inverse design, where we seek to design input variables in order to optimize an underlying objective function, is an important problem that arises across fields such as mechanical engineering to aerospace engineering. Inverse design is typically formulated as an optimization problem, with recent works leveraging optimization across learned dynamics models. However, as models are optimized they tend to fall into adversarial modes, preventing effective sampling. We illustrate that by instead optimizing over the learned energy function captured by the diffusion model, we can avoid such adversarial examples and significantly improve design performance. We further illustrate how such a design system is compositional, enabling us to combine multiple different diffusion models representing subcomponents of our desired system to design systems with every specified component. In an N-body interaction task and a challenging 2D multi-airfoil design task, we demonstrate that by composing the learned diffusion model at test time, our method allows us to design initial states and boundary shapes that are more complex than those in the training data. Our method generalizes to more objects for N-body dataset and discovers formation flying to minimize drag in the multi-airfoil design task. Project website and code can be found at https://github.com/AI4Science-WestlakeU/cindm.

Structural vibrations are a source of unwanted noise in engineering systems like cars, trains or airplanes. Minimizing these vibrations is crucial for improving passenger comfort. This work presents a novel design optimization approach based on guided flow matching for reducing vibrations by placing beadings (indentations) in plate-like structures. Our method integrates a generative flow matching model and a surrogate model trained to predict structural vibrations. During the generation process, the flow matching model pushes towards manufacturability while the surrogate model pushes to low-vibration solutions. The flow matching model and its training data implicitly define the design space, enabling a broader exploration of potential solutions as no optimization of manually-defined design parameters is required. We apply our method to a range of differentiable optimization objectives, including direct optimization of specific eigenfrequencies through careful construction of the objective function. Results demonstrate that our method generates diverse and manufacturable plate designs with reduced structural vibrations compared to designs from random search, a criterion-based design heuristic and genetic optimization. The code and data are available from https://github.com/ecker-lab/Optimizing_Vibrating_Plates.

A central challenge in scaling flow models is maintaining stability in training and integration. In flow matching, this stability depends critically on how source samples are paired with data. Independent random pairing introduces substantial stochasticity, motivating minibatch optimal transport (OT) to construct online source-target couplings that reduce this randomness (Tong et al., 2024). However, as applications extend to larger and higher-dimensional datasets, small minibatches can limit these benefits, while scaling the coupling to substantially larger minibatches at every iteration is computationally prohibitive. Moreover, how OT coupling affects the full stochastic gradient and integration remains theoretically unresolved. In this work, we develop a scalable online entropic OT approximation that enables substantially larger source-target couplings while preserving the benefits of OT. We close the theoretical gap for both unregularized and entropic OT by proving strict reductions in full stochastic-gradient variance and integration error relative to independent pairing, and further characterize how these improvements strengthen as the online coupling minibatch grows. Experiments on single-cell gene interpolation-flow and image-flow training validate these predictions, showing that larger online couplings consistently improve training stability and final generation performance.

We introduce Topological Neural Operators (TNOs), a principled framework for operator learning on cell complexes that lifts neural operators (NOs) from functions on points and/or edges to topological domains. TNOs represent data as features defined on cells of varying dimension and model their interactions through Discrete Exterior Calculus, enabling explicit cross-dimensional coupling via gradient-, curl-, and divergence-type operators. The key design principle is to decouple where information flows, as governed by fixed topological operators, from how it is transformed (which is learned), yielding models that respect the geometric support of physical quantities and expose conservation and compatibility structure. We further propose Hierarchical TNOs (HTNOs), which incorporate learned coarse complexes to propagate long-range and topology-dependent information. Our framework subsumes existing NOs as a special case, providing a unified perspective on operator learning across discretizations. Across a range of PDE benchmarks, including irregular-geometry flow problems, TNOs and HTNOs improve accuracy; controlled studies further isolate the benefits of native higher-rank and topological structure. Project page: https://circle-group.github.io/research/TNO

Scaling laws predict loss from compute but not how capabilities interact. We measure the coupling between reasoning and truthfulness across 63 base models from 16 families and find a regime change invisible to loss curves: below a family-dependent critical scale N_c, capabilities anticorrelate; above it, they cooperate. N_c approx 3.5B parameters [2.9B, 13.4B] (bootstrap 95% CI), but model size is not the only variable that determines phase. Architecture, data curation, and training recipe each shift N_c independently: curated training eliminated the coupling dip between Qwen generations (0.025 to 0.830 at matched scale), Gemma-4 at 4B achieves coupling 0.871, characteristic of 13B+ standard-trained models, through distillation and architectural innovation, and Phi at 1B matches web-trained coupling at 10B through data curation alone. Width normalization eliminates the anticorrelation across all tested families, supporting an output-projection bottleneck. Internally, 38 of 40 models show zero competing attention heads. A sparse-regression ODE cross-predicts held-out Llama-2 at 5.6% error. The diagnostic requires no model internals -- only public benchmark scores across a model family. The cooperative regime extends to the frontier (r = +0.72, 34 models, 10 labs). Code, data, and an open-source activation-steering tool for any open-weight model are released alongside an interactive dashboard that diagnoses any model's coupling phase, suggests concrete interventions (data curation, width, benchmark rotation), and provides ODE scaling predictions, frontier diagnostics, and eigenstructure analysis: https://zehenlabs.com/cape/.

Concept Design structures software systems around concepts: user-facing, self-contained units of functionality with a focused purpose. Concepts are composed into applications using synchronization rules called reactions, which specify how actions in one concept trigger actions in others. This paper first gives a formal semantics for concepts and reactions, enabling automatic verification of safety invariants in applications developed with this methodology. It then presents a CEGIS-style, LLM-driven synthesis procedure for generating reaction designs that satisfy such invariants. Because many different designs can satisfy the same invariant, we study two ways of steering synthesis toward the user's intended design: natural-language prompts and positive/negative scenarios. We also propose an LLM-driven scenario elicitation technique to support early design exploration. In an evaluation on three applications and twelve design variants using one LLM configuration, invariant-only synthesis reached verified designs quickly but often produced inconsistent designs across runs, some of which were implausible, showing that invariants alone underconstrain the design task. Scenario-guided synthesis recovered intended designs more consistently than natural-language prompting, although minimal scenarios can lead to overfitting. LLM-driven scenario elicitation, where the user classifies proposed scenarios rather than authoring them from scratch, recovered the intended designs in most variants when enough scenarios were elicited, but missed behaviors and non-determinism prevented reliable coverage in all cases.

Optical multilayer thin film structures have been widely used in numerous photonic applications. However, existing inverse design methods have many drawbacks because they either fail to quickly adapt to different design targets, or are difficult to suit for different types of structures, e.g., designing for different materials at each layer. These methods also cannot accommodate versatile design situations under different angles and polarizations. In addition, how to benefit practical fabrications and manufacturing has not been extensively considered yet. In this work, we introduce OptoGPT (Opto Generative Pretrained Transformer), a decoder-only transformer, to solve all these drawbacks and issues simultaneously.

Multimodal data is a precious asset enabling a variety of downstream tasks in machine learning. However, real-world data collected across different modalities is often not paired, which is a significant challenge to learn a joint distribution. A prominent approach to address the modality coupling problem is Minimum Entropy Coupling (MEC), which seeks to minimize the joint Entropy, while satisfying constraints on the marginals. Existing approaches to the MEC problem focus on finite, discrete distributions, limiting their application for cases involving continuous data. In this work, we propose a novel method to solve the continuous MEC problem, using well-known generative diffusion models that learn to approximate and minimize the joint Entropy through a cooperative scheme, while satisfying a relaxed version of the marginal constraints. We empirically demonstrate that our method, DDMEC, is general and can be easily used to address challenging tasks, including unsupervised single-cell multi-omics data alignment and unpaired image translation, outperforming specialized methods.

We investigate solutions to a coupled system of partial differential equations that describe a multilayered filtration system. Namely, we study the interaction of a viscous incompressible flow with bulk poroelasticity, via a poroelastic interface. The configuration consists of two 3D toroidal subdomains connected via a plate interface, which permits elastic deformation and perfusive fluid dynamics. The governing dynamics comprise Stokes equations in the bulk fluid region, Biot's equations in the bulk poroelastic region, and the recent poroplate of Mikelić at the interface. Coupling occurs on the top and lower surfaces of the plate, and involves conservation of mass, stress balance, and a certain slip condition for the fluid free-flow. We seek strong (and mild) solutions in the Hilbert space framework via the Lumer-Phillips theorem. The resolvent analysis employs a nonstandard mixed variational formulation which captures the complex, multi-physics coupling at the interface. We explicitly characterize the infinitesimal generator associated to the linear Cauchy problem and establish the generation of a C_0-semigroup on a suitably chosen finite-energy space. With the semigroup in hand, we may treat elastic nonlinearities for plate displacements through perturbation theory. These result parallel those for Biot-Stokes filtration systems, and complement the recently established weak solution theory for multilayer filtrations. The agency of the semigroup straightforwardly admits structural (plate) nonlinearity into the dynamics. Future stability and regularity analyses for multilayer filtrations are also made possible by these results, as well as a comparison of spectral and regularity properties between filtration configurations, and the elucidation of the mitigating poroplate dynamics as possibly regularizing and stabilizing.

Inverse design refers to the problem of optimizing the input of an objective function in order to enact a target outcome. For many real-world engineering problems, the objective function takes the form of a simulator that predicts how the system state will evolve over time, and the design challenge is to optimize the initial conditions that lead to a target outcome. Recent developments in learned simulation have shown that graph neural networks (GNNs) can be used for accurate, efficient, differentiable estimation of simulator dynamics, and support high-quality design optimization with gradient- or sampling-based optimization procedures. However, optimizing designs from scratch requires many expensive model queries, and these procedures exhibit basic failures on either non-convex or high-dimensional problems.In this work, we show how denoising diffusion models (DDMs) can be used to solve inverse design problems efficiently and propose a particle sampling algorithm for further improving their efficiency. We perform experiments on a number of fluid dynamics design challenges, and find that our approach substantially reduces the number of calls to the simulator compared to standard techniques.

Normalizing flows are an essential alternative to GANs for generative modelling, which can be optimized directly on the maximum likelihood of the dataset. They also allow computation of the exact latent vector corresponding to an image since they are composed of invertible transformations. However, the requirement of invertibility of the transformation prevents standard and expressive neural network models such as CNNs from being directly used. Emergent convolutions were proposed to construct an invertible 3times3 CNN layer using a pair of masked CNN layers, making them inefficient. We study conditions such that 3times3 CNNs are invertible, allowing them to construct expressive normalizing flows. We derive necessary and sufficient conditions on a padded CNN for it to be invertible. Our conditions for invertibility are simple, can easily be maintained during the training process. Since we require only a single CNN layer for every effective invertible CNN layer, our approach is more efficient than emerging convolutions. We also proposed a coupling method, Quad-coupling. We benchmark our approach and show similar performance results to emergent convolutions while improving the model's efficiency.

Boundary representation (B-Rep) generation is a fundamental task in computer-aided design, yet the direct synthesis of high-fidelity and structurally valid B-Reps remains a major challenge. Existing deep generative methods suffer from two forms of brittleness: representation brittleness, caused by padding noise and feature contamination in the latent space, and generation brittleness, stemming from sequential error propagation and a train-inference mismatch due to non-differentiable validity enforcement. We propose HiFi-BRep, a novel framework that addresses these limitations through two synergistic contributions. First, a topology-aware encoder constructs a high-fidelity latent representation by eliminating padding via learnable queries and preventing feature contamination with topology-guided attention. Second, a single-stage decoder jointly predicts geometry and topology in parallel, embedding core manifold constraints as a differentiable learning objective. This design ensures mutual guidance between geometry and topology while avoiding cascaded errors. Extensive experiments show that HiFi-BRep significantly outperforms state-of-the-art methods in both structural validity and geometric fidelity, providing a robust solution for high-quality B-Rep synthesis. Code and models are publicly available at https://github.com/1nnoh/HiFi-BRep.

Models of physical phenomena that use nonlocal operators are better suited for some applications than their classical counterparts that employ partial differential operators. However, the numerical solution of these nonlocal problems can be quite expensive. Therefore, Local-to-Nonlocal couplings have emerged that combine partial differential operators with nonlocal operators. In this work, we make use of an energy-based Local-to-Nonlocal coupling that serves as a constraint for an interface identification problem.

Modifications to test-time sampling have emerged as an important extension to diffusion algorithms, with the goal of biasing the generative process to achieve a given objective without having to retrain the entire diffusion model. However, generating jointly correlated samples from multiple pre-trained diffusion models while simultaneously enforcing task-specific constraints without costly retraining has remained challenging. To this end, we propose Projected Coupled Diffusion (PCD), a novel test-time framework for constrained joint generation. PCD introduces a coupled guidance term into the generative dynamics to encourage coordination between diffusion models and incorporates a projection step at each diffusion step to enforce hard constraints. Empirically, we demonstrate the effectiveness of PCD in application scenarios of image-pair generation, object manipulation, and multi-robot motion planning. Our results show improved coupling effects and guaranteed constraint satisfaction without incurring excessive computational costs.

Engineering design optimization seeks to automatically determine the shapes, topologies, or parameters of components that maximize performance under given conditions. This process often depends on physics-based simulations, which are difficult to install, computationally expensive, and require domain-specific expertise. To mitigate these challenges, we introduce EngiBench, the first open-source library and datasets spanning diverse domains for data-driven engineering design. EngiBench provides a unified API and a curated set of benchmarks -- covering aeronautics, heat conduction, photonics, and more -- that enable fair, reproducible comparisons of optimization and machine learning algorithms, such as generative or surrogate models. We also release EngiOpt, a companion library offering a collection of such algorithms compatible with the EngiBench interface. Both libraries are modular, letting users plug in novel algorithms or problems, automate end-to-end experiment workflows, and leverage built-in utilities for visualization, dataset generation, feasibility checks, and performance analysis. We demonstrate their versatility through experiments comparing state-of-the-art techniques across multiple engineering design problems, an undertaking that was previously prohibitively time-consuming to perform. Finally, we show that these problems pose significant challenges for standard machine learning methods due to highly sensitive and constrained design manifolds.

We introduce a platform to achieve ultra-strong coupling (USC) between light and matter using widely available materials. USC is a light-matter interaction regime characterized by coupling strengths exceeding 10% of the ground state energy. It gives rise to novel physical phenomena, such as efficient single-photon coupling and quantum gates, with applications in quantum sensing, nonlinear optics, and low-threshold lasing. Although early demonstrations in plasmonic systems have been realized, achieving USC in dielectric platforms, which offer lower losses and high Q-factors, remains challenging due to typically low mode overlap between the photonic field and the material resonance. Here we leverage dielectric dual gradient metasurfaces supporting quasi-bound states in the continuum to spatially encode both the spectral and coupling parameter space and demonstrate USC to an epsilon-near-zero (ENZ) mode in an ultra-thin SiO2 layer. The strong out-of-plane electric fields in our tapered bar structure overlap exceptionally well with those of the ENZ mode, resulting in a normalized coupling strength of 0.101 and a mode splitting equivalent to 20% of the ENZ mode energy; a four- to five-fold increase compared to previous approaches. The strong field confinement of our approach opens new possibilities for compact and scalable polaritonic devices, such as tunable frequency converters and low-energy optical modulators.

Artificial transmission lines built with lumped-element inductors and capacitors form the backbone of broadband, nearly quantum-limited traveling-wave parametric amplifiers (TWPAs). However, systematic design methods for TWPAs, and more generally artificial transmission lines, are lacking. Here, I develop a general synthesis framework for lossless artificial transmission lines by borrowing from periodic structure theory and passive network synthesis. These complementary approaches divide the design space: periodic loading synthesis employs spatial modulation of frequency-independent components, while filter synthesis employs frequency-dependent responses in spatially-uniform components. When tailoring transmission lines for parametric processes, nonlinear elements are added, typically nonlinear inductances in superconducting circuits, while ensuring energy and momentum conservation between interacting tones. Applying this framework, I design a kinetic inductance TWPA with a novel phase-matching architecture, and a backward-pumped Josephson TWPA exploiting an ambidextrous i.e., right-left-handed transmission line.

We consider the scattering of acoustic perturbations in a presence of a flow. We suppose that the space can be split into a zone where the flow is uniform and a zone where the flow is potential. In the first zone, we apply a Prandtl-Glauert transformation to recover the Helmholtz equation. The well-known setting of boundary element method for the Helmholtz equation is available. In the second zone, the flow quantities are space dependent, we have to consider a local resolution, namely the finite element method. Herein, we carry out the coupling of these two methods and present various applications and validation test cases. The source term is given through the decomposition of an incident acoustic field on a section of the computational domain's boundary.

Diffusion models often yield highly curved trajectories and noisy score targets due to an uninformative, memoryless forward process that induces independent data-noise coupling. We propose Adjoint Schrödinger Bridge Matching (ASBM), a generative modeling framework that recovers optimal trajectories in high dimensions via two stages. First, we view the Schrödinger Bridge (SB) forward dynamic as a coupling construction problem and learn it through a data-to-energy sampling perspective that transports data to an energy-defined prior. Then, we learn the backward generative dynamic with a simple matching loss supervised by the induced optimal coupling. By operating in a non-memoryless regime, ASBM produces significantly straighter and more efficient sampling paths. Compared to prior works, ASBM scales to high-dimensional data with notably improved stability and efficiency. Extensive experiments on image generation show that ASBM improves fidelity with fewer sampling steps. We further showcase the effectiveness of our optimal trajectory via distillation to a one-step generator.

Dynamic multi-objective optimization requires continuous tracking of moving Pareto fronts. Existing methods struggle with irregular mutations and data sparsity, primarily facing three challenges: the non-linear coupling of dynamic modes, negative transfer from outdated historical data, and the cold-start problem during environmental switches. To address these issues, this paper proposes a decoupled basis-vector-driven generative framework (DB-GEN). First, to resolve non-linear coupling, the framework employs the discrete wavelet transform to separate evolutionary trajectories into low-frequency trends and high-frequency details. Second, to mitigate negative transfer, it learns transferable basis vectors via sparse dictionary learning rather than directly memorizing historical instances. Recomposing these bases under a topology-aware contrastive constraint constructs a structured latent manifold. Finally, to overcome the cold-start problem, a surrogate-assisted search paradigm samples initial populations from this manifold. Pre-trained on 120 million solutions, DB-GEN performs direct online inference without retraining or fine-tuning. This zero-shot generation process executes in milliseconds, requiring approximately 0.2 seconds per environmental change. Experimental results demonstrate that DB-GEN improves tracking accuracy across various dynamic benchmarks compared to existing algorithms.

We present a flow-based approach to the optimal transport (OT) problem between two continuous distributions pi_0,pi_1 on R^d, of minimizing a transport cost E[c(X_1-X_0)] in the set of couplings (X_0,X_1) whose marginal distributions on X_0,X_1 equals pi_0,pi_1, respectively, where c is a cost function. Our method iteratively constructs a sequence of neural ordinary differentiable equations (ODE), each learned by solving a simple unconstrained regression problem, which monotonically reduce the transport cost while automatically preserving the marginal constraints. This yields a monotonic interior approach that traverses inside the set of valid couplings to decrease the transport cost, which distinguishes itself from most existing approaches that enforce the coupling constraints from the outside. The main idea of the method draws from rectified flow, a recent approach that simultaneously decreases the whole family of transport costs induced by convex functions c (and is hence multi-objective in nature), but is not tailored to minimize a specific transport cost. Our method is a single-object variant of rectified flow that guarantees to solve the OT problem for a fixed, user-specified convex cost function c.

Transforming multimodal sources into condensed and structured media outputs can be fundamentally conceptualized as a long-horizon agentic process centered on a model-harness system. While an ideal harness system should align with human design priors and accumulate reusable experience through empirical exploration to drive recursive self-improvement, existing paradigms remain static and fall short of this capability. In this paper, we present AutoDesign, a framework that aligns with human design priors, where a meta-harness optimizer guides a code agent to recursively improve harness based on rollout feedback. To instantiate and evaluate this framework, we focus on the academic paper-to-poster generation task and introduce PosterBench, comprising a 100-paper Main Track spanning five disciplines and PosterBench-mini, a shared 10-paper subset for controlled evaluation. On the PosterBench Main Track, AutoDesign achieves the highest score of 78.32, surpassing the closed-source commercial system Claude Design by 7.45 points. Across seven controlled code-agent-model configurations, integrating the learned DesignHarness consistently improves performance, increasing the average PosterBench Score from 54.99 to 67.39 (+12.4%). In a fully autonomous long-horizon loop, it executes 253 tool calls and 11 editing turns within 40 minutes for under $3, reaching average conference-poster quality in human evaluation. A system-blind human study further demonstrates that AutoDesign achieves the highest human preference among evaluated systems.

Structural topology optimization (TO) is central to engineering design but remains computationally intensive due to complex physics and hard constraints. Existing deep-learning methods are limited to fixed square grids, a few hand-coded boundary conditions, and post-hoc optimization, preventing general deployment. We introduce Optimize Any Topology (OAT), a foundation-model framework that directly predicts minimum-compliance layouts for arbitrary aspect ratios, resolutions, volume fractions, loads, and fixtures. OAT combines a resolution- and shape-agnostic autoencoder with an implicit neural-field decoder and a conditional latent-diffusion model trained on OpenTO, a new corpus of 2.2 million optimized structures covering 2 million unique boundary-condition configurations. On four public benchmarks and two challenging unseen tests, OAT lowers mean compliance up to 90% relative to the best prior models and delivers sub-1 second inference on a single GPU across resolutions from 64 x 64 to 256 x 256 and aspect ratios as high as 10:1. These results establish OAT as a general, fast, and resolution-free framework for physics-aware topology optimization and provide a large-scale dataset to spur further research in generative modeling for inverse design. Code & data can be found at https://github.com/ahnobari/OptimizeAnyTopology.

We introduce Flux Matching, a new paradigm for generative modeling that generalizes existing score-based models to a broader family of vector fields that need not be conservative. Rather than requiring the model to equal the data score, the Flux Matching objective imposes a weaker condition that admits infinitely many vector fields whose stationary distribution is the data. This flexibility enables a class of generative models that cannot be learned under score matching, in which inductive biases, structural priors, and properties of the dynamics can be directly imposed or optimized. We show that Flux Matching performs strongly on high-dimensional image datasets and, more importantly, that our added freedom unlocks a range of applications including faster sampling, interpretable and mechanistic models, and dynamics that encode directed dependencies between variables. More broadly, Flux Matching opens a new dimension in generative modeling by turning the vector field itself into a design choice rather than a fixed target. Code is available at https://github.com/peterpaohuang/flux_matching.

While LLM agents can generate visually plausible CAD assemblies, these designs often fail to fulfill their intended physical functions. We study functional CAD design, a setting where agents interpret underspecified requests to construct and iteratively revise mechanisms that satisfy functional requirements in physical simulation. Verifying these requirements is nontrivial: different candidate mechanisms may realize the same function through entirely different components, controls, and operating sequences. To bridge this gap, we propose FunCAD-Harness, a framework that translates abstract requirements into candidate-specific physical tests and uses simulation feedback to guide design revisions. To systematically evaluate this capability, we introduce FunCADBench, a benchmark spanning 46 mechanism families with interdependent and multi-step operations. Experiments across frontier LLM agents show that FunCAD-Harness exposes subtle mechanical failures invisible to visual inspection, substantially improving functional success rates over standard simulation-augmented baselines. Ultimately, our work marks a step toward CAD agents capable of translating human intent into working mechanisms.

Protein design, a grand challenge of the day, involves optimization on a fitness landscape, and leading methods adopt a model-based approach where a model is trained on a training set (protein sequences and fitness) and proposes candidates to explore next. These methods are challenged by sparsity of high-fitness samples in the training set, a problem that has been in the literature. A less recognized but equally important problem stems from the distribution of training samples in the design space: leading methods are not designed for scenarios where the desired optimum is in a region that is not only poorly represented in training data, but also relatively far from the highly represented low-fitness regions. We show that this problem of "separation" in the design space is a significant bottleneck in existing model-based optimization tools and propose a new approach that uses a novel VAE as its search model to overcome the problem. We demonstrate its advantage over prior methods in robustly finding improved samples, regardless of the imbalance and separation between low- and high-fitness training samples. Our comprehensive benchmark on real and semi-synthetic protein datasets as well as solution design for physics-informed neural networks, showcases the generality of our approach in discrete and continuous design spaces. Our implementation is available at https://github.com/sabagh1994/PGVAE.

The transition of an impulsively excited kink oscillation of a solar coronal loop to an oscillation with a stationary amplitude, i.e., the damping pattern, is determined using the low-dimensional self-oscillation model. In the model, the decayless kink oscillations are sustained by the interaction of the oscillating loop with an external quasi-steady flow. The analytical solution is based on the assumption that the combined effect of the effective dissipation, for example, by resonant absorption, and interaction with an external flow, is weak. The effect is characterised by a dimensionless coupling parameter. The damping pattern is found to depend upon the initial amplitude and the coupling parameter. The approximate expression shows a good agreement with a numerical solution of the self-oscillation equation. The plausibility of the established damping pattern is demonstrated by an observational example. Notably, the damping pattern is not exponential, and the characteristic decay time is different from the time determined by the traditionally used exponential damping fit. Implications of this finding for seismology of the solar coronal plasmas are discussed. In particular, it is suggested that a very rapid, in less than the oscillation period, decay of the oscillation to the stationary level, achieved for larger values of the coupling parameter, can explain the relative rareness of the kink oscillation events.

We model and study the processes of excitation, absorption, and transfer in various networks. The model consists of a harmonic oscillator representing a single-mode radiation field, a qubit acting as an antenna, a network through which the excitation propagates, and a qubit at the end serving as a sink. We investigate how off-resonant excitations can be optimally absorbed and transmitted through the network. Three strategies are considered: optimising network energies, adjusting the couplings between the radiation field, the antenna, and the network, or introducing and optimising driving fields at the start and end of the network. These strategies are tested on three different types of network with increasing complexity: nearest-neighbour and star configurations, and one associated with the Fenna-Matthews-Olson complex. The results show that, among the various strategies, the introduction of driving fields is the most effective, leading to a significant increase in the probability of reaching the sink in a given time. This result remains stable across networks of varying dimensionalities and types, and the driving process requires only a few parameters to be effective.

Recent works exploring deep learning application to dynamical systems modeling have demonstrated that embedding physical priors into neural networks can yield more effective, physically-realistic, and data-efficient models. However, in the absence of complete prior knowledge of a dynamical system's physical characteristics, determining the optimal structure and optimization strategy for these models can be difficult. In this work, we explore methods for discovering neural state space dynamics models for system identification. Starting with a design space of block-oriented state space models and structured linear maps with strong physical priors, we encode these components into a model genome alongside network structure, penalty constraints, and optimization hyperparameters. Demonstrating the overall utility of the design space, we employ an asynchronous genetic search algorithm that alternates between model selection and optimization and obtains accurate physically consistent models of three physical systems: an aerodynamics body, a continuous stirred tank reactor, and a two tank interacting system.

Bayesian optimization (BO) is a sample-efficient, surrogate-based approach to black-box optimization (BBO), but its evaluation remains dominated by synthetic functions and hyperparameter optimization (HPO) tasks that are typically low-dimensional and single-objective. Engineering design poses a substantially different regime: problems are physics-based, often high-dimensional, constrained by requirements such as cost and manufacturability, and may involve multiple objectives or mixed variables. To close this benchmarking gap, we introduce BOCoDe, an open-source, PyTorch-native benchmark comprising 307 BBO problems, including 159 engineering design tasks and widely used synthetic and HPO benchmarks. Each problem includes cited provenance and machine-readable metadata that supports programmatic discovery, including by LLM-based agents, and all tasks are exposed through a unified API compatible with open-source BO libraries. We evaluate 31 BO and evolutionary algorithms across five problem classes spanning single- and multi-objective optimization, constrained and unconstrained settings, and mixed-variable search spaces. Analyses of problem structure show that engineering tasks uniquely span constrained and multi-objective settings that synthetic and HPO suites rarely cover, while embeddings from a tabular foundation model separate them most clearly from HPO tasks. Algorithm rankings also vary substantially across domains; in several problem classes, rankings obtained on standard benchmarks do not transfer to engineering tasks. BOCoDe establishes a reproducible and extensible foundation for developing and evaluating BO methods that better reflect the demands of engineering design. Code & data can be found at https://github.com/rosenyu304/BOCoDe

Counterfactual generation seeks to sample outcomes under a hypothetical intervention or decision using observational data collected under the factual assignment mechanism. We develop a flow-matching approach that combines a sample-split, doubly robust training objective with a learned coupling between observed source outcomes and target outcomes drawn from a fitted conditional outcome model. To enable finite-step generation, we leverage a score-corrected stochastic sampler based on a Gaussian-smoothed interpolation. Our main theoretical contribution is a coupling-sensitive KL bound for constant-step Euler discretization: the error is controlled by moments of the source--target displacement under the chosen coupling, rather than by global uniform regularity of the velocity field, and has near-linear dependence on the ambient dimension. We also establish finite-sample non-parametric guarantees for the learned velocity and score fields when both the conditional outcome model and the source-target coupling are estimated from data. These bounds separate approximation, coupling-replacement, nuisance-estimation, generalization, and Monte Carlo errors and, combined with the sampler analysis, yield an end-to-end guarantee for counterfactual generation. Experiments on synthetic and semi-synthetic image benchmarks support the coupling-dependent theory and show that, at finite discretization budgets, the stochastic sampler can outperform the corresponding deterministic ODE sampler.

Modern engineering, spanning electrical, mechanical, aerospace, civil, and computer disciplines, stands as a cornerstone of human civilization and the foundation of our society. However, engineering design poses a fundamentally different challenge for large language models (LLMs) compared with traditional textbook-style problem solving or factual question answering. Although existing benchmarks have driven progress in areas such as language understanding, code synthesis, and scientific problem solving, real-world engineering design demands the synthesis of domain knowledge, navigation of complex trade-offs, and management of the tedious processes that consume much of practicing engineers' time. Despite these shared challenges across engineering disciplines, no benchmark currently captures the unique demands of engineering design work. In this work, we introduce EngDesign, an Engineering Design benchmark that evaluates LLMs' abilities to perform practical design tasks across nine engineering domains. Unlike existing benchmarks that focus on factual recall or question answering, EngDesign uniquely emphasizes LLMs' ability to synthesize domain knowledge, reason under constraints, and generate functional, objective-oriented engineering designs. Each task in EngDesign represents a real-world engineering design problem, accompanied by a detailed task description specifying design goals, constraints, and performance requirements. EngDesign pioneers a simulation-based evaluation paradigm that moves beyond textbook knowledge to assess genuine engineering design capabilities and shifts evaluation from static answer checking to dynamic, simulation-driven functional verification, marking a crucial step toward realizing the vision of engineering Artificial General Intelligence (AGI).

Graphic design is essential for visual communication with layouts being fundamental to composing attractive designs. Layout generation differs from pixel-level image synthesis and is unique in terms of the requirement of mutual relations among the desired components. We propose a method for design layout generation that can satisfy user-specified constraints. The proposed neural design network (NDN) consists of three modules. The first module predicts a graph with complete relations from a graph with user-specified relations. The second module generates a layout from the predicted graph. Finally, the third module fine-tunes the predicted layout. Quantitative and qualitative experiments demonstrate that the generated layouts are visually similar to real design layouts. We also construct real designs based on predicted layouts for a better understanding of the visual quality. Finally, we demonstrate a practical application on layout recommendation.

We propose a two-stage deep learning framework for the inverse design of rectangular patch antennas. Our approach leverages generative modeling to learn a latent representation of antenna frequency response curves and conditions a subsequent generative model on these responses to produce feasible antenna geometries. We further demonstrate that leveraging search and optimization techniques at test-time improves the accuracy of the generated designs and enables consideration of auxiliary objectives such as manufacturability. Our approach generalizes naturally to different design criteria, and can be easily adapted to more complex geometric design spaces.

We introduce Multi-Objective Counterfactuals for Design (MCD), a novel method for counterfactual optimization in design problems. Counterfactuals are hypothetical situations that can lead to a different decision or choice. In this paper, the authors frame the counterfactual search problem as a design recommendation tool that can help identify modifications to a design, leading to better functional performance. MCD improves upon existing counterfactual search methods by supporting multi-objective queries, which are crucial in design problems, and by decoupling the counterfactual search and sampling processes, thus enhancing efficiency and facilitating objective tradeoff visualization. The paper demonstrates MCD's core functionality using a two-dimensional test case, followed by three case studies of bicycle design that showcase MCD's effectiveness in real-world design problems. In the first case study, MCD excels at recommending modifications to query designs that can significantly enhance functional performance, such as weight savings and improvements to the structural safety factor. The second case study demonstrates that MCD can work with a pre-trained language model to suggest design changes based on a subjective text prompt effectively. Lastly, the authors task MCD with increasing a query design's similarity to a target image and text prompt while simultaneously reducing weight and improving structural performance, demonstrating MCD's performance on a complex multimodal query. Overall, MCD has the potential to provide valuable recommendations for practitioners and design automation researchers looking for answers to their ``What if'' questions by exploring hypothetical design modifications and their impact on multiple design objectives. The code, test problems, and datasets used in the paper are available to the public at decode.mit.edu/projects/counterfactuals/.

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.

As multimodal resources are transformed into media outputs, agentic AI is expected to stay aligned with design intent over long horizons. Designers follow briefs specifying goals, constraints, and deliverables, with later work building on earlier decisions. Recent work reuses design experience across tasks, yet alignment among artifacts within one project remains challenging. Agents therefore need to preserve and apply this intent across domains and as projects grow. We introduce Design Anything, a graph-based harness that preserves design intent outside the model and binds deliverables to the workflow steps that produce them through an intent-execution graph. A task contract retains constraints and decisions, selected designs become explicit inputs to later generations, and a deterministic controller uses bindings and execution records to check output types and counts, identify outstanding deliverables, and guide subsequent turns. We also introduce DesignAnything-Bench, with 228 tasks across 19 design domains, including 38 project families at scales of 6, 14, and 24 artifacts. With the LLM held fixed, Design Anything satisfies 85.0% and 92.5% of the brief's factual constraints with DeepSeek V4.1 Flash High and GPT-5.6 Sol High, respectively, exceeding the strongest same-model baselines by 15.4% and 14.4%. These gains reach 25.1% and 23.0% on 24-artifact tasks. Under each model, Design Anything leads or ties in constraint satisfaction in 18 of 19 domains. Professional designers also prefer its complete deliverable sets over those of same-model baselines in a blind evaluation.

Metamaterials with functional responses can exhibit varying properties under different conditions (e.g., wave-based responses or deformation-induced property variation). This work addresses the rapid inverse design of such metamaterials to meet target qualitative functional behaviors, a challenge due to its intractability and non-unique solutions. Unlike data-intensive and non-interpretable deep-learning-based methods, we propose the Random-forest-based Interpretable Generative Inverse Design (RIGID), a single-shot inverse design method for fast generation of metamaterial designs with on-demand functional behaviors. RIGID leverages the interpretability of a random forest-based "designrightarrowresponse" forward model, eliminating the need for a more complex "responserightarrowdesign" inverse model. Based on the likelihood of target satisfaction derived from the trained random forest, one can sample a desired number of design solutions using Markov chain Monte Carlo methods. We validate RIGID on acoustic and optical metamaterial design problems, each with fewer than 250 training samples. Compared to the genetic algorithm-based design generation approach, RIGID generates satisfactory solutions that cover a broader range of the design space, allowing for better consideration of additional figures of merit beyond target satisfaction. This work offers a new perspective on solving on-demand inverse design problems, showcasing the potential for incorporating interpretable machine learning into generative design under small data constraints.

AI coding agents select frameworks, scaffold infrastructure, and wire integrations, often in seconds. These are architectural decisions, yet almost no one reviews them as such. We identify five mechanisms by which agents make implicit architectural choices and propose six prompt-architecture coupling patterns that map natural-language prompt features to the infrastructure they require. The patterns range from contingent couplings (structured output validation) that may weaken as models improve to fundamental ones (tool-call orchestration) that persist regardless of model capability. An illustrative demonstration confirms that prompt wording alone produces structurally different systems for the same task. We term the phenomenon vibe architecting, architecture shaped by prompts rather than deliberate design, and outline review practices, decision records, and tooling to bring these hidden decisions under governance.

We introduce a novel method for solving density-based topology optimization problems: Sigmoidal Mirror descent with a Projected Latent variable (SiMPL). The SiMPL method (pronounced as ``the simple method'') optimizes a design using only first-order derivative information of the objective function. The bound constraints on the density field are enforced with the help of the (negative) Fermi--Dirac entropy, which is also used to define a non-symmetric distance function called a Bregman divergence on the set of admissible designs. This Bregman divergence leads to a simple update rule that is further simplified with the help of a so-called latent variable. Because the SiMPL method involves discretizing the latent variable, it produces a sequence of pointwise-feasible iterates, even when high-order finite elements are used in the discretization. Numerical experiments demonstrate that the method outperforms other popular first-order optimization algorithms. To outline the general applicability of the technique, we include examples with (self-load) compliance minimization and compliant mechanism optimization problems.

A common assumption holds that enough observational and interventional data, given to a strong enough predictor, suffices. We report a failure mode that contradicts it. Across hundreds of structural causal models, on identified quantities a strong predictor and a Bayesian baseline both succeed, but on unidentified quantities (the couplings between counterfactual worlds) the predictor collapses to a point, on 28% of models to one no valid model can produce, while the truth is an admissible interval more data never narrows. The gap is structural: prediction cannot represent uncertainty over counterfactual couplings. We cast a world model as a single positive semidefinite coupling kernel K(T,T') over admissible worlds, whose diagonal is the ordinary posterior (what a predictor recovers) and whose off-diagonal is the cross-world coupling it cannot, which every counterfactual reads. The paper is the theory of that off-diagonal. It is real: two states with identical posteriors differ on a cross-world query, and the off-diagonal is the coupling that fixes counterfactuals. It can be bounded: positive semidefiniteness is partial-identifying information the marginals lack, and enforcing it bounds counterfactuals in polynomial time where the exact response-type program is intractable. Logical structure sharpens it: ontology axioms tighten the bound by up to a third, propagating to couplings they never touch. It can be acquired: targeted scars, constraints learned from encountered infeasibilities, close the gap several times faster than untargeted ones. Its full reconstruction is approximate counting of the admissible worlds, tractable below the Sly-Sun threshold and inapproximable above; we do not claim to beat the worst case.

This paper presents a data-driven, task-specific paradigm for experimental design, to shorten acquisition time, reduce costs, and accelerate the deployment of imaging devices. Current approaches in experimental design focus on model-parameter estimation and require specification of a particular model, whereas in imaging, other tasks may drive the design. Furthermore, such approaches often lead to intractable optimization problems in real-world imaging applications. Here we present a new paradigm for experimental design that simultaneously optimizes the design (set of image channels) and trains a machine-learning model to execute a user-specified image-analysis task. The approach obtains data densely-sampled over the measurement space (many image channels) for a small number of acquisitions, then identifies a subset of channels of prespecified size that best supports the task. We propose a method: TADRED for TAsk-DRiven Experimental Design in imaging, to identify the most informative channel-subset whilst simultaneously training a network to execute the task given the subset. Experiments demonstrate the potential of TADRED in diverse imaging applications: several clinically-relevant tasks in magnetic resonance imaging; and remote sensing and physiological applications of hyperspectral imaging. Results show substantial improvement over classical experimental design, two recent application-specific methods within the new paradigm, and state-of-the-art approaches in supervised feature selection. We anticipate further applications of our approach. Code is available: https://github.com/sbb-gh/experimental-design-multichannel

Generative models have had a profound impact on vision and language, paving the way for a new era of multimodal generative applications. While these successes have inspired researchers to explore using generative models in science and engineering to accelerate the design process and reduce the reliance on iterative optimization, challenges remain. Specifically, engineering optimization methods based on physics still outperform generative models when dealing with constrained environments where data is scarce and precision is paramount. To address these challenges, we introduce Diffusion Optimization Models (DOM) and Trajectory Alignment (TA), a learning framework that demonstrates the efficacy of aligning the sampling trajectory of diffusion models with the optimization trajectory derived from traditional physics-based methods. This alignment ensures that the sampling process remains grounded in the underlying physical principles. Our method allows for generating feasible and high-performance designs in as few as two steps without the need for expensive preprocessing, external surrogate models, or additional labeled data. We apply our framework to structural topology optimization, a fundamental problem in mechanical design, evaluating its performance on in- and out-of-distribution configurations. Our results demonstrate that TA outperforms state-of-the-art deep generative models on in-distribution configurations and halves the inference computational cost. When coupled with a few steps of optimization, it also improves manufacturability for out-of-distribution conditions. By significantly improving performance and inference efficiency, DOM enables us to generate high-quality designs in just a few steps and guide them toward regions of high performance and manufacturability, paving the way for the widespread application of generative models in large-scale data-driven design.

Bayesian Optimal Experimental Design (BOED) is a powerful tool to reduce the cost of running a sequence of experiments. When based on the Expected Information Gain (EIG), design optimization corresponds to the maximization of some intractable expected contrast between prior and posterior distributions. Scaling this maximization to high dimensional and complex settings has been an issue due to BOED inherent computational complexity. In this work, we introduce a pooled posterior distribution with cost-effective sampling properties and provide a tractable access to the EIG contrast maximization via a new EIG gradient expression. Diffusion-based samplers are used to compute the dynamics of the pooled posterior and ideas from bi-level optimization are leveraged to derive an efficient joint sampling-optimization loop. The resulting efficiency gain allows to extend BOED to the well-tested generative capabilities of diffusion models. By incorporating generative models into the BOED framework, we expand its scope and its use in scenarios that were previously impractical. Numerical experiments and comparison with state-of-the-art methods show the potential of the approach.

Generative models inspired by dynamical transport of measure -- such as flows and diffusions -- construct a continuous-time map between two probability densities. Conventionally, one of these is the target density, only accessible through samples, while the other is taken as a simple base density that is data-agnostic. In this work, using the framework of stochastic interpolants, we formalize how to couple the base and the target densities. This enables us to incorporate information about class labels or continuous embeddings to construct dynamical transport maps that serve as conditional generative models. We show that these transport maps can be learned by solving a simple square loss regression problem analogous to the standard independent setting. We demonstrate the usefulness of constructing dependent couplings in practice through experiments in super-resolution and in-painting.

Research and practice in Intelligent Design (ID) have significantly enhanced engineering innovation, efficiency, quality, and productivity over recent decades, fundamentally reshaping how engineering designers think, behave, and interact with design processes. The recent emergence of Foundation Models (FMs), particularly Large Language Models (LLMs), has demonstrated general knowledge-based reasoning capabilities, and open new paths and avenues for further transformation in engineering design. In this context, this paper introduces Intelligent Design 4.0 (ID 4.0) as an emerging paradigm empowered by agentic AI systems. We review the historical evolution of ID across four distinct stages: rule-based expert systems, task-specific machine learning models, large-scale foundation AI models, and the recent emerging paradigm of multi-agent collaboration. We propose a conceptual framework for ID 4.0 and discuss its potential to support end-to-end automation of engineering design processes through coordinated, autonomous multi-agent-based systems. Furthermore, we discuss future perspectives to enhance and fully realize ID 4.0's potential, including more complex design scenarios, more practical design implementations, novel agent coordination mechanisms, and autonomous design goal-setting with better human value alignment. In sum, these insights lay a foundation for advancing Intelligent Design toward greater adaptivity, autonomy, and effectiveness in addressing increasingly complex design challenges.