Daily Papers

Resided at the intersection of multi-fidelity optimization (MFO) and Bayesian optimization (BO), MF BO has found a niche in solving expensive engineering design optimization problems, thanks to its advantages in incorporating physical and mathematical understandings of the problems, saving resources, addressing exploitation-exploration trade-off, considering uncertainty, and processing parallel computing. The increasing number of works dedicated to MF BO suggests the need for a comprehensive review of this advanced optimization technique. In this paper, we survey recent developments of two essential ingredients of MF BO: Gaussian process (GP) based MF surrogates and acquisition functions. We first categorize the existing MF modeling methods and MFO strategies to locate MF BO in a large family of surrogate-based optimization and MFO algorithms. We then exploit the common properties shared between the methods from each ingredient of MF BO to describe important GP-based MF surrogate models and review various acquisition functions. By doing so, we expect to provide a structured understanding of MF BO. Finally, we attempt to reveal important aspects that require further research for applications of MF BO in solving intricate yet important design optimization problems, including constrained optimization, high-dimensional optimization, optimization under uncertainty, and multi-objective optimization.

While early AutoML frameworks focused on optimizing traditional ML pipelines and their hyperparameters, a recent trend in AutoML is to focus on neural architecture search. In this paper, we introduce Auto-PyTorch, which brings the best of these two worlds together by jointly and robustly optimizing the architecture of networks and the training hyperparameters to enable fully automated deep learning (AutoDL). Auto-PyTorch achieves state-of-the-art performance on several tabular benchmarks by combining multi-fidelity optimization with portfolio construction for warmstarting and ensembling of deep neural networks (DNNs) and common baselines for tabular data. To thoroughly study our assumptions on how to design such an AutoDL system, we additionally introduce a new benchmark on learning curves for DNNs, dubbed LCBench, and run extensive ablation studies of the full Auto-PyTorch on typical AutoML benchmarks, eventually showing that Auto-PyTorch performs better than several state-of-the-art competitors on average.

Hyperparameter optimization (HPO) is crucial for fine-tuning machine learning models but can be computationally expensive. To reduce costs, Multi-fidelity HPO (MF-HPO) leverages intermediate accuracy levels in the learning process and discards low-performing models early on. We compared various representative MF-HPO methods against a simple baseline on classical benchmark data. The baseline involved discarding all models except the Top-K after training for only one epoch, followed by further training to select the best model. Surprisingly, this baseline achieved similar results to its counterparts, while requiring an order of magnitude less computation. Upon analyzing the learning curves of the benchmark data, we observed a few dominant learning curves, which explained the success of our baseline. This suggests that researchers should (1) always use the suggested baseline in benchmarks and (2) broaden the diversity of MF-HPO benchmarks to include more complex cases.

High-speed online trajectory planning for UAVs poses a significant challenge due to the need for precise modeling of complex dynamics while also being constrained by computational limitations. This paper presents a multi-fidelity reinforcement learning method (MFRL) that aims to effectively create a realistic dynamics model and simultaneously train a planning policy that can be readily deployed in real-time applications. The proposed method involves the co-training of a planning policy and a reward estimator; the latter predicts the performance of the policy's output and is trained efficiently through multi-fidelity Bayesian optimization. This optimization approach models the correlation between different fidelity levels, thereby constructing a high-fidelity model based on a low-fidelity foundation, which enables the accurate development of the reward model with limited high-fidelity experiments. The framework is further extended to include real-world flight experiments in reinforcement learning training, allowing the reward model to precisely reflect real-world constraints and broadening the policy's applicability to real-world scenarios. We present rigorous evaluations by training and testing the planning policy in both simulated and real-world environments. The resulting trained policy not only generates faster and more reliable trajectories compared to the baseline snap minimization method, but it also achieves trajectory updates in 2 ms on average, while the baseline method takes several minutes.

Determining the optimal data mixture for large language model training remains a challenging problem with an outsized impact on performance. In practice, language model developers continue to rely on heuristic exploration since no learning-based approach has emerged as a reliable solution. In this work, we propose to view the selection of training data mixtures as a black-box hyperparameter optimization problem, for which Bayesian Optimization is a well-established class of appropriate algorithms. Firstly, we cast data mixture learning as a sequential decision-making problem, in which we aim to find a suitable trade-off between the computational cost of training exploratory (proxy-) models and final mixture performance. Secondly, we systematically explore the properties of transferring mixtures learned at a small scale to larger-scale experiments, providing insights and highlighting opportunities for research at a modest scale. By proposing Multi-fidelity Bayesian Optimization as a suitable method in this common scenario, we introduce a natural framework to balance experiment cost with model fit, avoiding the risks of overfitting to smaller scales while minimizing the number of experiments at high cost. We present results for pre-training and instruction finetuning across models ranging from 1 million to 7 billion parameters, varying from simple architectures to state-of-the-art models and benchmarks spanning dozens of datasets. We demonstrate consistently strong results relative to a wide range of baselines, resulting inspeed-ups of over 500% in determining the best data mixture on our largest experiments. In addition, we broaden access to research by sharing ADMIRE IFT Runs, a dataset of 460 full training & evaluation runs worth over 13,000 GPU hours, greatly reducing the cost of conducting research in this area.

Bayesian optimization is an approach to optimizing objective functions that take a long time (minutes or hours) to evaluate. It is best-suited for optimization over continuous domains of less than 20 dimensions, and tolerates stochastic noise in function evaluations. It builds a surrogate for the objective and quantifies the uncertainty in that surrogate using a Bayesian machine learning technique, Gaussian process regression, and then uses an acquisition function defined from this surrogate to decide where to sample. In this tutorial, we describe how Bayesian optimization works, including Gaussian process regression and three common acquisition functions: expected improvement, entropy search, and knowledge gradient. We then discuss more advanced techniques, including running multiple function evaluations in parallel, multi-fidelity and multi-information source optimization, expensive-to-evaluate constraints, random environmental conditions, multi-task Bayesian optimization, and the inclusion of derivative information. We conclude with a discussion of Bayesian optimization software and future research directions in the field. Within our tutorial material we provide a generalization of expected improvement to noisy evaluations, beyond the noise-free setting where it is more commonly applied. This generalization is justified by a formal decision-theoretic argument, standing in contrast to previous ad hoc modifications.

We introduce a model-based asynchronous multi-fidelity method for hyperparameter and neural architecture search that combines the strengths of asynchronous Hyperband and Gaussian process-based Bayesian optimization. At the heart of our method is a probabilistic model that can simultaneously reason across hyperparameters and resource levels, and supports decision-making in the presence of pending evaluations. We demonstrate the effectiveness of our method on a wide range of challenging benchmarks, for tabular data, image classification and language modelling, and report substantial speed-ups over current state-of-the-art methods. Our new methods, along with asynchronous baselines, are implemented in a distributed framework which will be open sourced along with this publication.

Many state-of-the-art hyperparameter optimization (HPO) algorithms rely on model-based optimizers that learn surrogate models of the target function to guide the search. Gaussian processes are the de facto surrogate model due to their ability to capture uncertainty but they make strong assumptions about the observation noise, which might not be warranted in practice. In this work, we propose to leverage conformalized quantile regression which makes minimal assumptions about the observation noise and, as a result, models the target function in a more realistic and robust fashion which translates to quicker HPO convergence on empirical benchmarks. To apply our method in a multi-fidelity setting, we propose a simple, yet effective, technique that aggregates observed results across different resource levels and outperforms conventional methods across many empirical tasks.

As multi-agent systems (MAS) become increasingly prevalent in autonomous systems, distributed control, and edge intelligence, efficient communication under resource constraints has emerged as a critical challenge. Traditional communication paradigms often emphasize message fidelity or bandwidth optimization, overlooking the task relevance of the exchanged information. In contrast, goal-oriented communication prioritizes the importance of information with respect to the agents' shared objectives. This review provides a comprehensive survey of goal-oriented communication in MAS, bridging perspectives from information theory, communication theory, and machine learning. We examine foundational concepts alongside learning-based approaches and emergent protocols. Special attention is given to coordination under communication constraints, as well as applications in domains such as swarm robotics, federated learning, and edge computing. The paper concludes with a discussion of open challenges and future research directions at the intersection of communication theory, machine learning, and multi-agent decision making.

Recent advancements in multi-view 3D reconstruction and novel-view synthesis, particularly through Neural Radiance Fields (NeRF) and 3D Gaussian Splatting (3DGS), have greatly enhanced the fidelity and efficiency of 3D content creation. However, inpainting 3D scenes remains a challenging task due to the inherent irregularity of 3D structures and the critical need for maintaining multi-view consistency. In this work, we propose a novel 3D Gaussian inpainting framework that reconstructs complete 3D scenes by leveraging sparse inpainted views. Our framework incorporates an automatic Mask Refinement Process and region-wise Uncertainty-guided Optimization. Specifically, we refine the inpainting mask using a series of operations, including Gaussian scene filtering and back-projection, enabling more accurate localization of occluded regions and realistic boundary restoration. Furthermore, our Uncertainty-guided Fine-grained Optimization strategy, which estimates the importance of each region across multi-view images during training, alleviates multi-view inconsistencies and enhances the fidelity of fine details in the inpainted results. Comprehensive experiments conducted on diverse datasets demonstrate that our approach outperforms existing state-of-the-art methods in both visual quality and view consistency.

Multi-subject personalized image generation aims to synthesize customized images containing multiple specified subjects without requiring test-time optimization. However, achieving fine-grained independent control over multiple subjects remains challenging due to difficulties in preserving subject fidelity and preventing cross-subject attribute leakage. We present FocusDPO, a framework that adaptively identifies focus regions based on dynamic semantic correspondence and supervision image complexity. During training, our method progressively adjusts these focal areas across noise timesteps, implementing a weighted strategy that rewards information-rich patches while penalizing regions with low prediction confidence. The framework dynamically adjusts focus allocation during the DPO process according to the semantic complexity of reference images and establishes robust correspondence mappings between generated and reference subjects. Extensive experiments demonstrate that our method substantially enhances the performance of existing pre-trained personalized generation models, achieving state-of-the-art results on both single-subject and multi-subject personalized image synthesis benchmarks. Our method effectively mitigates attribute leakage while preserving superior subject fidelity across diverse generation scenarios, advancing the frontier of controllable multi-subject image synthesis.

Precise alignment in Text-to-Image (T2I) systems is crucial to ensure that generated visuals not only accurately encapsulate user intents but also conform to stringent ethical and aesthetic benchmarks. Incidents like the Google Gemini fiasco, where misaligned outputs triggered significant public backlash, underscore the critical need for robust alignment mechanisms. In contrast, Large Language Models (LLMs) have achieved notable success in alignment. Building on these advancements, researchers are eager to apply similar alignment techniques, such as Direct Preference Optimization (DPO), to T2I systems to enhance image generation fidelity and reliability. We present YinYangAlign, an advanced benchmarking framework that systematically quantifies the alignment fidelity of T2I systems, addressing six fundamental and inherently contradictory design objectives. Each pair represents fundamental tensions in image generation, such as balancing adherence to user prompts with creative modifications or maintaining diversity alongside visual coherence. YinYangAlign includes detailed axiom datasets featuring human prompts, aligned (chosen) responses, misaligned (rejected) AI-generated outputs, and explanations of the underlying contradictions.

With the advancements in denoising diffusion probabilistic models (DDPMs), image inpainting has significantly evolved from merely filling information based on nearby regions to generating content conditioned on various prompts such as text, exemplar images, and sketches. However, existing methods, such as model fine-tuning and simple concatenation of latent vectors, often result in generation failures due to overfitting and inconsistency between the inpainted region and the background. In this paper, we argue that the current large diffusion models are sufficiently powerful to generate realistic images without further tuning. Hence, we introduce PILOT (inPainting vIa Latent OpTimization), an optimization approach grounded on a novel semantic centralization and background preservation loss. Our method searches latent spaces capable of generating inpainted regions that exhibit high fidelity to user-provided prompts while maintaining coherence with the background. Furthermore, we propose a strategy to balance optimization expense and image quality, significantly enhancing generation efficiency. Our method seamlessly integrates with any pre-trained model, including ControlNet and DreamBooth, making it suitable for deployment in multi-modal editing tools. Our qualitative and quantitative evaluations demonstrate that PILOT outperforms existing approaches by generating more coherent, diverse, and faithful inpainted regions in response to provided prompts.

We propose a lightweight end-to-end text-to-speech model using multi-band generation and inverse short-time Fourier transform. Our model is based on VITS, a high-quality end-to-end text-to-speech model, but adopts two changes for more efficient inference: 1) the most computationally expensive component is partially replaced with a simple inverse short-time Fourier transform, and 2) multi-band generation, with fixed or trainable synthesis filters, is used to generate waveforms. Unlike conventional lightweight models, which employ optimization or knowledge distillation separately to train two cascaded components, our method enjoys the full benefits of end-to-end optimization. Experimental results show that our model synthesized speech as natural as that synthesized by VITS, while achieving a real-time factor of 0.066 on an Intel Core i7 CPU, 4.1 times faster than VITS. Moreover, a smaller version of the model significantly outperformed a lightweight baseline model with respect to both naturalness and inference speed. Code and audio samples are available from https://github.com/MasayaKawamura/MB-iSTFT-VITS.

We introduce Tinker, a versatile framework for high-fidelity 3D editing that operates in both one-shot and few-shot regimes without any per-scene finetuning. Unlike prior techniques that demand extensive per-scene optimization to ensure multi-view consistency or to produce dozens of consistent edited input views, Tinker delivers robust, multi-view consistent edits from as few as one or two images. This capability stems from repurposing pretrained diffusion models, which unlocks their latent 3D awareness. To drive research in this space, we curate the first large-scale multi-view editing dataset and data pipeline, spanning diverse scenes and styles. Building on this dataset, we develop our framework capable of generating multi-view consistent edited views without per-scene training, which consists of two novel components: (1) Referring multi-view editor: Enables precise, reference-driven edits that remain coherent across all viewpoints. (2) Any-view-to-video synthesizer: Leverages spatial-temporal priors from video diffusion to perform high-quality scene completion and novel-view generation even from sparse inputs. Through extensive experiments, Tinker significantly reduces the barrier to generalizable 3D content creation, achieving state-of-the-art performance on editing, novel-view synthesis, and rendering enhancement tasks. We believe that Tinker represents a key step towards truly scalable, zero-shot 3D editing. Project webpage: https://aim-uofa.github.io/Tinker

We present MatDecompSDF, a novel framework for recovering high-fidelity 3D shapes and decomposing their physically-based material properties from multi-view images. The core challenge of inverse rendering lies in the ill-posed disentanglement of geometry, materials, and illumination from 2D observations. Our method addresses this by jointly optimizing three neural components: a neural Signed Distance Function (SDF) to represent complex geometry, a spatially-varying neural field for predicting PBR material parameters (albedo, roughness, metallic), and an MLP-based model for capturing unknown environmental lighting. The key to our approach is a physically-based differentiable rendering layer that connects these 3D properties to the input images, allowing for end-to-end optimization. We introduce a set of carefully designed physical priors and geometric regularizations, including a material smoothness loss and an Eikonal loss, to effectively constrain the problem and achieve robust decomposition. Extensive experiments on both synthetic and real-world datasets (e.g., DTU) demonstrate that MatDecompSDF surpasses state-of-the-art methods in geometric accuracy, material fidelity, and novel view synthesis. Crucially, our method produces editable and relightable assets that can be seamlessly integrated into standard graphics pipelines, validating its practical utility for digital content creation.

Automatic text-to-3D synthesis has achieved remarkable advancements through the optimization of 3D models. Existing methods commonly rely on pre-trained text-to-image generative models, such as diffusion models, providing scores for 2D renderings of Neural Radiance Fields (NeRFs) and being utilized for optimizing NeRFs. However, these methods often encounter artifacts and inconsistencies across multiple views due to their limited understanding of 3D geometry. To address these limitations, we propose a reformulation of the optimization loss using the diffusion prior. Furthermore, we introduce a novel training approach that unlocks the potential of the diffusion prior. To improve 3D geometry representation, we apply auxiliary depth supervision for NeRF-rendered images and regularize the density field of NeRFs. Extensive experiments demonstrate the superiority of our method over prior works, resulting in advanced photo-realism and improved multi-view consistency.

We present a novel training-free framework, PosterForest, for automated scientific poster generation. Unlike prior approaches, which largely neglect the hierarchical structure of scientific documents and the semantic integration of textual and visual elements, our method addresses both challenges directly. We introduce the Poster Tree, a hierarchical intermediate representation that jointly encodes document structure and visual-textual relationships at multiple levels. Our framework employs a multi-agent collaboration strategy, where agents specializing in content summarization and layout planning iteratively coordinate and provide mutual feedback. This approach enables the joint optimization of logical consistency, content fidelity, and visual coherence. Extensive experiments on multiple academic domains show that our method outperforms existing baselines in both qualitative and quantitative evaluations. The resulting posters achieve quality closest to expert-designed ground truth and deliver superior information preservation, structural clarity, and user preference.

Creating dynamic, view-consistent videos of customized subjects is highly sought after for a wide range of emerging applications, including immersive VR/AR, virtual production, and next-generation e-commerce. However, despite rapid progress in subject-driven video generation, existing methods predominantly treat subjects as 2D entities, focusing on transferring identity through single-view visual features or textual prompts. Because real-world subjects are inherently 3D, applying these 2D-centric approaches to 3D object customization reveals a fundamental limitation: they lack the comprehensive spatial priors necessary to reconstruct the 3D geometry. Consequently, when synthesizing novel views, they must rely on generating plausible but arbitrary details for unseen regions, rather than preserving the true 3D identity. Achieving genuine 3D-aware customization remains challenging due to the scarcity of multi-view video datasets. While one might attempt to fine-tune models on limited video sequences, this often leads to temporal overfitting. To resolve these issues, we introduce a novel framework for 3D-aware video customization, comprising 3DreamBooth and 3Dapter. 3DreamBooth decouples spatial geometry from temporal motion through a 1-frame optimization paradigm. By restricting updates to spatial representations, it effectively bakes a robust 3D prior into the model without the need for exhaustive video-based training. To enhance fine-grained textures and accelerate convergence, we incorporate 3Dapter, a visual conditioning module. Following single-view pre-training, 3Dapter undergoes multi-view joint optimization with the main generation branch via an asymmetrical conditioning strategy. This design allows the module to act as a dynamic selective router, querying view-specific geometric hints from a minimal reference set. Project page: https://ko-lani.github.io/3DreamBooth/

Generating full-length, high-quality songs is challenging, as it requires maintaining long-term coherence both across text and music modalities and within the music modality itself. Existing non-autoregressive (NAR) frameworks, while capable of producing high-quality songs, often struggle with the alignment between lyrics and vocal. Concurrently, catering to diverse musical preferences necessitates reinforcement learning from human feedback (RLHF). However, existing methods often rely on merging multiple models during multi-preference optimization, which results in significant performance degradation. To address these challenges, we introduce DiffRhythm 2, an end-to-end framework designed for high-fidelity, controllable song generation. To tackle the lyric alignment problem, DiffRhythm 2 employs a semi-autoregressive architecture based on block flow matching. This design enables faithful alignment of lyrics to singing vocals without relying on external labels and constraints, all while preserving the high generation quality and efficiency of NAR models. To make this framework computationally tractable for long sequences, we implement a music variational autoencoder (VAE) that achieves a low frame rate of 5 Hz while still enabling high-fidelity audio reconstruction. In addition, to overcome the limitations of multi-preference optimization in RLHF, we propose cross-pair preference optimization. This method effectively mitigates the performance drop typically associated with model merging, allowing for more robust optimization across diverse human preferences. We further enhance musicality and structural coherence by introducing stochastic block representation alignment loss.

Recent advancements in image customization exhibit a wide range of application prospects due to stronger customization capabilities. However, since we humans are more sensitive to faces, a significant challenge remains in preserving consistent identity while avoiding identity confusion with multi-reference images, limiting the identity scalability of customization models. To address this, we present UMO, a Unified Multi-identity Optimization framework, designed to maintain high-fidelity identity preservation and alleviate identity confusion with scalability. With "multi-to-multi matching" paradigm, UMO reformulates multi-identity generation as a global assignment optimization problem and unleashes multi-identity consistency for existing image customization methods generally through reinforcement learning on diffusion models. To facilitate the training of UMO, we develop a scalable customization dataset with multi-reference images, consisting of both synthesised and real parts. Additionally, we propose a new metric to measure identity confusion. Extensive experiments demonstrate that UMO not only improves identity consistency significantly, but also reduces identity confusion on several image customization methods, setting a new state-of-the-art among open-source methods along the dimension of identity preserving. Code and model: https://github.com/bytedance/UMO

Prompt design plays a crucial role in text-to-video (T2V) generation, yet user-provided prompts are often short, unstructured, and misaligned with training data, limiting the generative potential of diffusion-based T2V models. We present RAPO++, a cross-stage prompt optimization framework that unifies training-data--aligned refinement, test-time iterative scaling, and large language model (LLM) fine-tuning to substantially improve T2V generation without modifying the underlying generative backbone. In Stage 1, Retrieval-Augmented Prompt Optimization (RAPO) enriches user prompts with semantically relevant modifiers retrieved from a relation graph and refactors them to match training distributions, enhancing compositionality and multi-object fidelity. Stage 2 introduces Sample-Specific Prompt Optimization (SSPO), a closed-loop mechanism that iteratively refines prompts using multi-source feedback -- including semantic alignment, spatial fidelity, temporal coherence, and task-specific signals such as optical flow -- yielding progressively improved video generation quality. Stage 3 leverages optimized prompt pairs from SSPO to fine-tune the rewriter LLM, internalizing task-specific optimization patterns and enabling efficient, high-quality prompt generation even before inference. Extensive experiments across five state-of-the-art T2V models and five benchmarks demonstrate that RAPO++ achieves significant gains in semantic alignment, compositional reasoning, temporal stability, and physical plausibility, outperforming existing methods by large margins. Our results highlight RAPO++ as a model-agnostic, cost-efficient, and scalable solution that sets a new standard for prompt optimization in T2V generation. The code is available at https://github.com/Vchitect/RAPO.

Traditionally, creating photo-realistic 3D head avatars requires a studio-level multi-view capture setup and expensive optimization during test-time, limiting the use of digital human doubles to the VFX industry or offline renderings. To address this shortcoming, we present Avat3r, which regresses a high-quality and animatable 3D head avatar from just a few input images, vastly reducing compute requirements during inference. More specifically, we make Large Reconstruction Models animatable and learn a powerful prior over 3D human heads from a large multi-view video dataset. For better 3D head reconstructions, we employ position maps from DUSt3R and generalized feature maps from the human foundation model Sapiens. To animate the 3D head, our key discovery is that simple cross-attention to an expression code is already sufficient. Finally, we increase robustness by feeding input images with different expressions to our model during training, enabling the reconstruction of 3D head avatars from inconsistent inputs, e.g., an imperfect phone capture with accidental movement, or frames from a monocular video. We compare Avat3r with current state-of-the-art methods for few-input and single-input scenarios, and find that our method has a competitive advantage in both tasks. Finally, we demonstrate the wide applicability of our proposed model, creating 3D head avatars from images of different sources, smartphone captures, single images, and even out-of-domain inputs like antique busts. Project website: https://tobias-kirschstein.github.io/avat3r/

Current one-pass 3D scene synthesis methods often suffer from spatial hallucinations, such as collisions, due to a lack of deliberative reasoning. To bridge this gap, we introduce SceneReVis, a vision-grounded self-reflection framework that employs an iterative ``diagnose-and-act'' loop to explicitly intercept and resolve spatial conflicts using multi-modal feedback. To support this step-wise paradigm, we construct SceneChain-12k, a large-scale dataset of causal construction trajectories derived through a novel reverse engineering pipeline. We further propose a two-stage training recipe that transitions from Supervised Fine-Tuning to Agentic Reinforcement Learning, evolving the model into an active spatial planner. Extensive experiments demonstrate that SceneReVis achieves state-of-the-art performance in high-fidelity generation and goal-oriented optimization, with robust generalization to long-tail domains.

We propose Dynamic Rank Reinforcement Learning (DR-RL), a novel framework that adaptively optimizes the low-rank factorization of Multi-Head Self-Attention (MHSA) in Large Language Models (LLMs) through the integration of reinforcement learning and online matrix perturbation theory. While traditional low-rank approximations often rely on static rank assumptions--limiting their flexibility across diverse input contexts--our method dynamically selects ranks based on real-time sequence dynamics, layer-specific sensitivities, and hardware constraints. The core innovation lies in an RL agent that formulates rank selection as a sequential policy optimization problem, where the reward function strictly balances attention fidelity against computational latency. Crucially, we employ online matrix perturbation bounds to enable incremental rank updates, thereby avoiding the prohibitive cost of full decomposition during inference. Furthermore, the integration of a lightweight Transformer-based policy network and batched Singular Value Decomposition (SVD) operations ensures scalable deployment on modern GPU architectures. Experiments demonstrate that DR-RL maintains downstream accuracy statistically equivalent to full-rank attention while significantly reducing Floating Point Operations (FLOPs), particularly in long-sequence regimes (L > 4096). This work bridges the gap between adaptive efficiency and theoretical rigor in MHSA, offering a principled, mathematically grounded alternative to heuristic rank reduction techniques in resource-constrained deep learning. Source code and experiment logs are available at: https://github.com/canererden/DR_RL_Project

Recent multi-modal video generation models have achieved high visual quality, but their prohibitive latency and limited temporal stability hinder real-time deployment. Streaming inference exacerbates these issues, leading to pronounced multimodal degradation, such as spatial blurring, temporal drift, and lip desynchronization, which creates an unresolved efficiency-performance trade-off. To this end, we propose EchoTorrent, a novel schema with a fourfold design: (1) Multi-Teacher Training fine-tunes a pre-trained model on distinct preference domains to obtain specialized domain experts, which sequentially transfer domain-specific knowledge to a student model; (2) Adaptive CFG Calibration (ACC-DMD), which calibrates the audio CFG augmentation errors in DMD via a phased spatiotemporal schedule, eliminating redundant CFG computations and enabling single-pass inference per step; (3) Hybrid Long Tail Forcing, which enforces alignment exclusively on tail frames during long-horizon self-rollout training via a causal-bidirectional hybrid architecture, effectively mitigates spatiotemporal degradation in streaming mode while enhancing fidelity to reference frames; and (4) VAE Decoder Refiner through pixel-domain optimization of the VAE decoder to recover high-frequency details while circumventing latent-space ambiguities. Extensive experiments and analysis demonstrate that EchoTorrent achieves few-pass autoregressive generation with substantially extended temporal consistency, identity preservation, and audio-lip synchronization.

Reconstructing an animatable 3D human from casually captured images of an articulated subject without camera or human pose information is a practical yet challenging task due to view misalignment, occlusions, and the absence of structural priors. While optimization-based methods can produce high-fidelity results from monocular or multi-view videos, they require accurate pose estimation and slow iterative optimization, limiting scalability in unconstrained scenarios. Recent feed-forward approaches enable efficient single-image reconstruction but struggle to effectively leverage multiple input images to reduce ambiguity and improve reconstruction accuracy. To address these challenges, we propose PF-LHM, a large human reconstruction model that generates high-quality 3D avatars in seconds from one or multiple casually captured pose-free images. Our approach introduces an efficient Encoder-Decoder Point-Image Transformer architecture, which fuses hierarchical geometric point features and multi-view image features through multimodal attention. The fused features are decoded to recover detailed geometry and appearance, represented using 3D Gaussian splats. Extensive experiments on both real and synthetic datasets demonstrate that our method unifies single- and multi-image 3D human reconstruction, achieving high-fidelity and animatable 3D human avatars without requiring camera and human pose annotations. Code and models will be released to the public.

De novo design seeks to generate molecules with required property profiles by virtual design-make-test cycles. With the emergence of deep learning and neural generative models in many application areas, models for molecular design based on neural networks appeared recently and show promising results. However, the new models have not been profiled on consistent tasks, and comparative studies to well-established algorithms have only seldom been performed. To standardize the assessment of both classical and neural models for de novo molecular design, we propose an evaluation framework, GuacaMol, based on a suite of standardized benchmarks. The benchmark tasks encompass measuring the fidelity of the models to reproduce the property distribution of the training sets, the ability to generate novel molecules, the exploration and exploitation of chemical space, and a variety of single and multi-objective optimization tasks. The benchmarking open-source Python code, and a leaderboard can be found on https://benevolent.ai/guacamol

3D stylization is central to game development, virtual reality, and digital arts, where the demand for diverse assets calls for scalable methods that support fast, high-fidelity manipulation. Existing text-to-3D stylization methods typically distill from 2D image editors, requiring time-intensive per-asset optimization and exhibiting multi-view inconsistency due to the limitations of current text-to-image models, which makes them impractical for large-scale production. In this paper, we introduce GaussianBlender, a pioneering feed-forward framework for text-driven 3D stylization that performs edits instantly at inference. Our method learns structured, disentangled latent spaces with controlled information sharing for geometry and appearance from spatially-grouped 3D Gaussians. A latent diffusion model then applies text-conditioned edits on these learned representations. Comprehensive evaluations show that GaussianBlender not only delivers instant, high-fidelity, geometry-preserving, multi-view consistent stylization, but also surpasses methods that require per-instance test-time optimization - unlocking practical, democratized 3D stylization at scale.

To balance quality and cost, various domain areas of science and engineering run simulations at multiple levels of sophistication. Multi-fidelity active learning aims to learn a direct mapping from input parameters to simulation outputs at the highest fidelity by actively acquiring data from multiple fidelity levels. However, existing approaches based on Gaussian processes are hardly scalable to high-dimensional data. Deep learning-based methods often impose a hierarchical structure in hidden representations, which only supports passing information from low-fidelity to high-fidelity. These approaches can lead to the undesirable propagation of errors from low-fidelity representations to high-fidelity ones. We propose a novel framework called Disentangled Multi-fidelity Deep Bayesian Active Learning (D-MFDAL), which learns the surrogate models conditioned on the distribution of functions at multiple fidelities. On benchmark tasks of learning deep surrogates of partial differential equations including heat equation, Poisson's equation and fluid simulations, our approach significantly outperforms state-of-the-art in prediction accuracy and sample efficiency.

The work focuses on gathering high-fidelity and low-fidelity numerical simulations data using Nektar++ (Solver based on Applied Mathematics) and XFOIL respectively. The utilization of the higher polynomial distribution in calculating the Coefficient of lift and drag has demonstrated superior accuracy and precision. Further, Co-kriging Data fusion and Adaptive sampling technique has been used to obtain the precise data predictions for the lift and drag within the confined domain without conducting the costly simulations on HPC clusters. This creates a methodology to quantifying uncertainty in computational fluid dynamics by minimizing the required number of samples. To minimize the reliability on high-fidelity numerical simulations in Uncertainty Quantification, a multi-fidelity strategy has been adopted. The effectiveness of the multi-fidelity deep neural network model has been validated through the approximation of benchmark functions across 1-, 32-, and 100-dimensional, encompassing both linear and nonlinear correlations. The surrogate modelling results showed that multi-fidelity deep neural network model has shown excellent approximation capabilities for the test functions and multi-fidelity deep neural network method has outperformed Co-kriging in effectiveness. In addition to that, multi-fidelity deep neural network model is utilized for the simulation of aleatory uncertainty propagation in 1-, 32-, and 100 dimensional function test, considering both uniform and Gaussian distributions for input uncertainties. The results have shown that multi-fidelity deep neural network model has efficiently predicted the probability density distributions of quantities of interest as well as the statistical moments with precision and accuracy. The Co-Kriging model has exhibited limitations when addressing 32-Dimension problems due to the limitation of memory capacity for storage and manipulation.

Generalist robot policies trained on large-scale, visually homogeneous datasets can be susceptible to shortcut learning, which impairs their out-of-distribution (OOD) generalization. While generative data augmentation is a common approach to introduce diversity, it presents a subtle challenge: data composition. Naively mixing real and synthetic data can corrupt the learning signal, as this process often prioritizes visual diversity at the expense of information fidelity. This paper suggests that robust generalization depends on principled, fidelity-aware data composition. We introduce Coherent Information Fidelity Tuning (CIFT), a framework that treats data composition as an optimization problem. CIFT uses a practical proxy for Information Fidelity based on the feature-space geometry of a dataset. This enables the identification of a phase transition, termed the Decoherence Point, where training stability degrades. The framework includes a generative engine, Multi-View Video Augmentation (MVAug), to synthesize a causally disentangled data spectrum for this tuning process. Applying CIFT to policy architectures such as pi_0 and Diffusion Policy improves OOD success rates by over 54\%. These results indicate that fidelity-aware composition, beyond data synthesis alone, is an important component for developing robust, general-purpose robots.

With the rapid advancement of vision-language models, an increasing number of studies have explored their potential for SVG generation tasks. Although existing approaches improve performance by constructing large-scale SVG datasets and introducing SVG-specific tokens, they still suffer from limited generalization, redundant paths in code outputs, and a lack of explicit reasoning. In this work, we present CTRL-S (Chain-of-Thought Reinforcement Learning for SVG), a unified framework that introduces a chain-of-thought mechanism to explicitly expose the model's reasoning process during SVG generation. To support this structured reasoning, we construct SVG-Sophia, a high-quality dataset containing 145K samples across SVG code refinement, Text-to-SVG, and Image-to-SVG tasks. By training the model to generate group-level structured SVG code, CTRL-S significantly improves structural coherence and visual fidelity. Furthermore, we adopt the GRPO algorithm and design a multi-reward optimization framework, incorporating DINO, image-text similarity, format, and code efficiency rewards. Through joint multi-reward optimization and multi-task training, our approach systematically enhances overall generation capabilities. Extensive experiments show that CTRL-S outperforms existing methods, achieving higher task success rates, superior SVG code quality, and exceptional visual fidelity.

Despite the typical inversion-then-editing paradigm using text-to-image (T2I) models has demonstrated promising results, directly extending it to text-to-video (T2V) models still suffers severe artifacts such as color flickering and content distortion. Consequently, current video editing methods primarily rely on T2I models, which inherently lack temporal-coherence generative ability, often resulting in inferior editing results. In this paper, we attribute the failure of the typical editing paradigm to: 1) Tightly Spatial-temporal Coupling. The vanilla pivotal-based inversion strategy struggles to disentangle spatial-temporal information in the video diffusion model; 2) Complicated Spatial-temporal Layout. The vanilla cross-attention control is deficient in preserving the unedited content. To address these limitations, we propose a spatial-temporal decoupled guidance (STDG) and multi-frame null-text optimization strategy to provide pivotal temporal cues for more precise pivotal inversion. Furthermore, we introduce a self-attention control strategy to maintain higher fidelity for precise partial content editing. Experimental results demonstrate that our method (termed VideoDirector) effectively harnesses the powerful temporal generation capabilities of T2V models, producing edited videos with state-of-the-art performance in accuracy, motion smoothness, realism, and fidelity to unedited content.

Recent advancements in image mixing and generative data augmentation have shown promise in enhancing image classification. However, these techniques face the challenge of balancing semantic fidelity with diversity. Specifically, image mixing involves interpolating two images to create a new one, but this pixel-level interpolation can compromise fidelity. Generative augmentation uses text-to-image generative models to synthesize or modify images, often limiting diversity to avoid generating out-of-distribution data that potentially affects accuracy. We propose that this fidelity-diversity dilemma partially stems from the whole-image paradigm of existing methods. Since an image comprises the class-dependent part (CDP) and the class-independent part (CIP), where each part has fundamentally different impacts on the image's fidelity, treating different parts uniformly can therefore be misleading. To address this fidelity-diversity dilemma, we introduce Decoupled Data Augmentation (De-DA), which resolves the dilemma by separating images into CDPs and CIPs and handling them adaptively. To maintain fidelity, we use generative models to modify real CDPs under controlled conditions, preserving semantic consistency. To enhance diversity, we replace the image's CIP with inter-class variants, creating diverse CDP-CIP combinations. Additionally, we implement an online randomized combination strategy during training to generate numerous distinct CDP-CIP combinations cost-effectively. Comprehensive empirical evaluations validate the effectiveness of our method.

Physics-informed neural networks (PINNs) have emerged as a powerful paradigm for solving partial differential equations (PDEs) by embedding physical laws directly into neural network training. However, solving high-fidelity PDEs remains computationally prohibitive, particularly for parametric systems requiring multiple evaluations across varying parameter configurations. This paper presents MF-BPINN, a novel multi-fidelity framework that synergistically combines physics-informed neural networks with Bayesian uncertainty quantification and adaptive residual learning. Our approach leverages abundant low-fidelity simulations alongside sparse high-fidelity data through a hierarchical neural architecture that learns nonlinear correlations across fidelity levels. We introduce an adaptive residual network with learnable gating mechanisms that dynamically balances linear and nonlinear fidelity discrepancies. Furthermore, we develop a rigorous Bayesian framework employing Hamiltonian Monte Carlo.

Machine-learning-based parameterizations (i.e. representation of sub-grid processes) of global climate models or turbulent simulations have recently been proposed as a powerful alternative to physical, but empirical, representations, offering a lower computational cost and higher accuracy. Yet, those approaches still suffer from a lack of generalization and extrapolation beyond the training data, which is however critical to projecting climate change or unobserved regimes of turbulence. Here we show that a multi-fidelity approach, which integrates datasets of different accuracy and abundance, can provide the best of both worlds: the capacity to extrapolate leveraging the physically-based parameterization and a higher accuracy using the machine-learning-based parameterizations. In an application to climate modeling, the multi-fidelity framework yields more accurate climate projections without requiring major increase in computational resources. Our multi-fidelity randomized prior networks (MF-RPNs) combine physical parameterization data as low-fidelity and storm-resolving historical run's data as high-fidelity. To extrapolate beyond the training data, the MF-RPNs are tested on high-fidelity warming scenarios, +4K, data. We show the MF-RPN's capacity to return much more skillful predictions compared to either low- or high-fidelity (historical data) simulations trained only on one regime while providing trustworthy uncertainty quantification across a wide range of scenarios. Our approach paves the way for the use of machine-learning based methods that can optimally leverage historical observations or high-fidelity simulations and extrapolate to unseen regimes such as climate change.

Given a small number of images of a subject, personalized image generation techniques can fine-tune large pre-trained text-to-image diffusion models to generate images of the subject in novel contexts, conditioned on text prompts. In doing so, a trade-off is made between prompt fidelity, subject fidelity and diversity. As the pre-trained model is fine-tuned, earlier checkpoints synthesize images with low subject fidelity but high prompt fidelity and diversity. In contrast, later checkpoints generate images with low prompt fidelity and diversity but high subject fidelity. This inherent trade-off limits the prompt fidelity, subject fidelity and diversity of generated images. In this work, we propose DreamBlend to combine the prompt fidelity from earlier checkpoints and the subject fidelity from later checkpoints during inference. We perform a cross attention guided image synthesis from a later checkpoint, guided by an image generated by an earlier checkpoint, for the same prompt. This enables generation of images with better subject fidelity, prompt fidelity and diversity on challenging prompts, outperforming state-of-the-art fine-tuning methods.

Multi-subject image generation aims to synthesize user-provided subjects in a single image while preserving subject fidelity, ensuring prompt consistency, and aligning with human aesthetic preferences. However, existing methods, particularly those built on the In-Context-Learning paradigm, are limited by their reliance on simple reconstruction-based objectives, leading to both severe attribute leakage that compromises subject fidelity and failing to align with nuanced human preferences. To address this, we propose MultiCrafter, a framework that ensures high-fidelity, preference-aligned generation. First, we find that the root cause of attribute leakage is a significant entanglement of attention between different subjects during the generation process. Therefore, we introduce explicit positional supervision to explicitly separate attention regions for each subject, effectively mitigating attribute leakage. To enable the model to accurately plan the attention region of different subjects in diverse scenarios, we employ a Mixture-of-Experts architecture to enhance the model's capacity, allowing different experts to focus on different scenarios. Finally, we design a novel online reinforcement learning framework to align the model with human preferences, featuring a scoring mechanism to accurately assess multi-subject fidelity and a more stable training strategy tailored for the MoE architecture. Experiments validate that our framework significantly improves subject fidelity while aligning with human preferences better.

Perceptual optimization is primarily driven by the fidelity objective, which enforces both semantic consistency and overall visual realism, while the adversarial objective provides complementary refinement by enhancing perceptual sharpness and fine-grained detail. Despite their central role, the correlation between their effectiveness as optimization objectives and their capability as image quality assessment (IQA) metrics remains underexplored. In this work, we conduct a systematic analysis and reveal an unanticipated asymmetry between perceptual optimization and assessment: fidelity metrics that excel in IQA are not necessarily effective for perceptual optimization, with this misalignment emerging more distinctly under adversarial training. In addition, while discriminators effectively suppress artifacts during optimization, their learned representations offer only limited benefits when reused as backbone initializations for IQA models. Beyond this asymmetry, our findings further demonstrate that discriminator design plays a decisive role in shaping optimization, with patch-level and convolutional architectures providing more faithful detail reconstruction than vanilla or Transformer-based alternatives. These insights advance the understanding of loss function design and its connection to IQA transferability, paving the way for more principled approaches to perceptual optimization.

We introduce a multi-fidelity estimator of covariance matrices that employs the log-Euclidean geometry of the symmetric positive-definite manifold. The estimator fuses samples from a hierarchy of data sources of differing fidelities and costs for variance reduction while guaranteeing definiteness, in contrast with previous approaches. The new estimator makes covariance estimation tractable in applications where simulation or data collection is expensive; to that end, we develop an optimal sample allocation scheme that minimizes the mean-squared error of the estimator given a fixed budget. Guaranteed definiteness is crucial to metric learning, data assimilation, and other downstream tasks. Evaluations of our approach using data from physical applications (heat conduction, fluid dynamics) demonstrate more accurate metric learning and speedups of more than one order of magnitude compared to benchmarks.

Learned optimization has emerged as a promising alternative to hand-crafted optimizers, with the potential to discover stronger learned update rules that enable faster, hyperparameter-free training of neural networks. A critical element for practically useful learned optimizers, that can be used off-the-shelf after meta-training, is strong meta-generalization: the ability to apply the optimizers to new tasks. Recent state-of-the-art work in learned optimizers, VeLO (Metz et al., 2022), requires a large number of highly diverse meta-training tasks along with massive computational resources, 4000 TPU months, to achieve meta-generalization. This makes further improvements to such learned optimizers impractical. In this work, we identify several key elements in learned optimizer architectures and meta-training procedures that can lead to strong meta-generalization. We also propose evaluation metrics to reliably assess quantitative performance of an optimizer at scale on a set of evaluation tasks. Our proposed approach, Celo, makes a significant leap in improving the meta-generalization performance of learned optimizers and also outperforms tuned state-of-the-art optimizers on a diverse set of out-of-distribution tasks, despite being meta-trained for just 24 GPU hours.

In offline multi-objective optimization (MOO), we leverage an offline dataset of designs and their associated labels to simultaneously minimize multiple objectives. This setting more closely mirrors complex real-world problems compared to single-objective optimization. Recent works mainly employ evolutionary algorithms and Bayesian optimization, with limited attention given to the generative modeling capabilities inherent in such data. In this study, we explore generative modeling in offline MOO through flow matching, noted for its effectiveness and efficiency. We introduce ParetoFlow, specifically designed to guide flow sampling to approximate the Pareto front. Traditional predictor (classifier) guidance is inadequate for this purpose because it models only a single objective. In response, we propose a multi-objective predictor guidance module that assigns each sample a weight vector, representing a weighted distribution across multiple objective predictions. A local filtering scheme is introduced to address non-convex Pareto fronts. These weights uniformly cover the entire objective space, effectively directing sample generation towards the Pareto front. Since distributions with similar weights tend to generate similar samples, we introduce a neighboring evolution module to foster knowledge sharing among neighboring distributions. This module generates offspring from these distributions, and selects the most promising one for the next iteration. Our method achieves state-of-the-art performance across various tasks.

Recent advancements in generative models, particularly large language models (LLMs) and diffusion models, have been driven by extensive pretraining on large datasets followed by post-training. However, current post-training methods such as reinforcement learning from human feedback (RLHF) and direct alignment from preference methods (DAP) primarily utilize single-sample comparisons. These approaches often fail to capture critical characteristics such as generative diversity and bias, which are more accurately assessed through multiple samples. To address these limitations, we introduce a novel approach that extends post-training to include multi-sample comparisons. To achieve this, we propose Multi-sample Direct Preference Optimization (mDPO) and Multi-sample Identity Preference Optimization (mIPO). These methods improve traditional DAP methods by focusing on group-wise characteristics. Empirically, we demonstrate that multi-sample comparison is more effective in optimizing collective characteristics~(e.g., diversity and bias) for generative models than single-sample comparison. Additionally, our findings suggest that multi-sample comparisons provide a more robust optimization framework, particularly for dataset with label noise.

Text-to-image (T2I) diffusion models have demonstrated impressive performance in generating high-fidelity images, largely enabled by text-guided inference. However, this advantage often comes with a critical drawback: limited diversity, as outputs tend to collapse into similar modes under strong text guidance. Existing approaches typically optimize intermediate latents or text conditions during inference, but these methods deliver only modest gains or remain sensitive to hyperparameter tuning. In this work, we introduce Contrastive Noise Optimization, a simple yet effective method that addresses the diversity issue from a distinct perspective. Unlike prior techniques that adapt intermediate latents, our approach shapes the initial noise to promote diverse outputs. Specifically, we develop a contrastive loss defined in the Tweedie data space and optimize a batch of noise latents. Our contrastive optimization repels instances within the batch to maximize diversity while keeping them anchored to a reference sample to preserve fidelity. We further provide theoretical insights into the mechanism of this preprocessing to substantiate its effectiveness. Extensive experiments across multiple T2I backbones demonstrate that our approach achieves a superior quality-diversity Pareto frontier while remaining robust to hyperparameter choices.

Popular machine learning approaches forgo second-order information due to the difficulty of computing curvature in high dimensions. We present FOSI, a novel meta-algorithm that improves the performance of any base first-order optimizer by efficiently incorporating second-order information during the optimization process. In each iteration, FOSI implicitly splits the function into two quadratic functions defined on orthogonal subspaces, then uses a second-order method to minimize the first, and the base optimizer to minimize the other. We formally analyze FOSI's convergence and the conditions under which it improves a base optimizer. Our empirical evaluation demonstrates that FOSI improves the convergence rate and optimization time of first-order methods such as Heavy-Ball and Adam, and outperforms second-order methods (K-FAC and L-BFGS).

The core challenge of high-dimensional and expensive black-box optimization (BBO) is how to obtain better performance faster with little function evaluation cost. The essence of the problem is how to design an efficient optimization strategy tailored to the target task. This paper designs a powerful optimization framework to automatically learn the optimization strategies from the target or cheap surrogate task without human intervention. However, current methods are weak for this due to poor representation of optimization strategy. To achieve this, 1) drawing on the mechanism of genetic algorithm, we propose a deep neural network framework called B2Opt, which has a stronger representation of optimization strategies based on survival of the fittest; 2) B2Opt can utilize the cheap surrogate functions of the target task to guide the design of the efficient optimization strategies. Compared to the state-of-the-art BBO baselines, B2Opt can achieve multiple orders of magnitude performance improvement with less function evaluation cost. We validate our proposal on high-dimensional synthetic functions and two real-world applications. We also find that deep B2Opt performs better than shallow ones.

Designing neural networks typically relies on manual trial and error or a neural architecture search (NAS) followed by weight training. The former is time-consuming and labor-intensive, while the latter often discretizes architecture search and weight optimization. In this paper, we propose a fundamentally different approach that simultaneously optimizes both the architecture and the weights of a neural network. Our framework first trains a universal multi-scale autoencoder that embeds both architectural and parametric information into a continuous latent space, where functionally similar neural networks are mapped closer together. Given a dataset, we then randomly initialize a point in the embedding space and update it via gradient descent to obtain the optimal neural network, jointly optimizing its structure and weights. The optimization process incorporates sparsity and compactness penalties to promote efficient models. Experiments on synthetic regression tasks demonstrate that our method effectively discovers sparse and compact neural networks with strong performance.

Heuristic design with large language models (LLMs) has emerged as a promising approach for tackling combinatorial optimization problems (COPs). However, existing approaches often rely on manually predefined evolutionary computation (EC) optimizers and single-task training schemes, which may constrain the exploration of diverse heuristic algorithms and hinder the generalization of the resulting heuristics. To address these issues, we propose Meta-Optimization of Heuristics (MoH), a novel framework that operates at the optimizer level, discovering effective optimizers through the principle of meta-learning. Specifically, MoH leverages LLMs to iteratively refine a meta-optimizer that autonomously constructs diverse optimizers through (self-)invocation, thereby eliminating the reliance on a predefined EC optimizer. These constructed optimizers subsequently evolve heuristics for downstream tasks, enabling broader heuristic exploration. Moreover, MoH employs a multi-task training scheme to promote its generalization capability. Experiments on classic COPs demonstrate that MoH constructs an effective and interpretable meta-optimizer, achieving state-of-the-art performance across various downstream tasks, particularly in cross-size settings.

Large language models (LLMs) have exhibited their problem-solving abilities in mathematical reasoning. Solving realistic optimization (OPT) problems in application scenarios requires advanced and applied mathematics ability. However, current OPT benchmarks that merely solve linear programming are far from complex realistic situations. In this work, we propose OptiBench, a benchmark for End-to-end optimization problem-solving with human-readable inputs and outputs. OptiBench contains rich optimization problems, including linear and nonlinear programming with or without tabular data, which can comprehensively evaluate LLMs' solving ability. In our benchmark, LLMs are required to call a code solver to provide precise numerical answers. Furthermore, to alleviate the data scarcity for optimization problems, and to bridge the gap between open-source LLMs on a small scale (e.g., Llama-3-8b) and closed-source LLMs (e.g., GPT-4), we further propose a data synthesis method namely ReSocratic. Unlike general data synthesis methods that proceed from questions to answers, \ReSocratic first incrementally synthesizes formatted optimization demonstration with mathematical formulations step by step and then back-translates the generated demonstrations into questions. Based on this, we synthesize the ReSocratic-29k dataset. We further conduct supervised fine-tuning with ReSocratic-29k on multiple open-source models. Experimental results show that ReSocratic-29k significantly improves the performance of open-source models.

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

The performance of many machine learning models depends on their hyper-parameter settings. Bayesian Optimization has become a successful tool for hyper-parameter optimization of machine learning algorithms, which aims to identify optimal hyper-parameters during an iterative sequential process. However, most of the Bayesian Optimization algorithms are designed to select models for effectiveness only and ignore the important issue of model training efficiency. Given that both model effectiveness and training time are important for real-world applications, models selected for effectiveness may not meet the strict training time requirements necessary to deploy in a production environment. In this work, we present a unified Bayesian Optimization framework for jointly optimizing models for both prediction effectiveness and training efficiency. We propose an objective that captures the tradeoff between these two metrics and demonstrate how we can jointly optimize them in a principled Bayesian Optimization framework. Experiments on model selection for recommendation tasks indicate models selected this way significantly improves model training efficiency while maintaining strong effectiveness as compared to state-of-the-art Bayesian Optimization algorithms.

Direct Preference Optimization (DPO) has become a popular approach for aligning language models using pairwise preferences. However, in practical post-training pipelines, on-policy generation typically yields multiple candidate responses per prompt, which are scored by a reward model to guide learning. In this setting, we propose Multi-Preference Optimization (MPO), a generalization of DPO that optimizes over entire sets of responses by extending the Bradley-Terry model to groupwise comparisons between chosen and rejected sets. To further enhance learning, MPO employs deviation-based weighting, which emphasizes outlier responses that deviate most from the mean reward, effectively inducing a self-paced curriculum. We theoretically prove that MPO reduces alignment bias at a rate of Oleft(1{n}right) with respect to the number of responses per query. Empirically, MPO achieves state-of-the-art performance on the UltraFeedback benchmark and yields up to sim 17.5% improvement over the state-of-the-art baseline in length-controlled win rate on AlpacaEval2, establishing a new baseline for preference-based alignment

Offline optimization has recently emerged as an increasingly popular approach to mitigate the prohibitively expensive cost of online experimentation. The key idea is to learn a surrogate of the black-box function that underlines the target experiment using a static (offline) dataset of its previous input-output queries. Such an approach is, however, fraught with an out-of-distribution issue where the learned surrogate becomes inaccurate outside the offline data regimes. To mitigate this, existing offline optimizers have proposed numerous conditioning techniques to prevent the learned surrogate from being too erratic. Nonetheless, such conditioning strategies are often specific to particular surrogate or search models, which might not generalize to a different model choice. This motivates us to develop a model-agnostic approach instead, which incorporates a notion of model sharpness into the training loss of the surrogate as a regularizer. Our approach is supported by a new theoretical analysis demonstrating that reducing surrogate sharpness on the offline dataset provably reduces its generalized sharpness on unseen data. Our analysis extends existing theories from bounding generalized prediction loss (on unseen data) with loss sharpness to bounding the worst-case generalized surrogate sharpness with its empirical estimate on training data, providing a new perspective on sharpness regularization. Our extensive experimentation on a diverse range of optimization tasks also shows that reducing surrogate sharpness often leads to significant improvement, marking (up to) a noticeable 9.6% performance boost. Our code is publicly available at https://github.com/cuong-dm/IGNITE

In many applications of machine learning, like drug discovery and material design, the goal is to generate candidates that simultaneously maximize a set of objectives. As these objectives are often conflicting, there is no single candidate that simultaneously maximizes all objectives, but rather a set of Pareto-optimal candidates where one objective cannot be improved without worsening another. Moreover, in practice, these objectives are often under-specified, making the diversity of candidates a key consideration. The existing multi-objective optimization methods focus predominantly on covering the Pareto front, failing to capture diversity in the space of candidates. Motivated by the success of GFlowNets for generation of diverse candidates in a single objective setting, in this paper we consider Multi-Objective GFlowNets (MOGFNs). MOGFNs consist of a novel Conditional GFlowNet which models a family of single-objective sub-problems derived by decomposing the multi-objective optimization problem. Our work is the first to empirically demonstrate conditional GFlowNets. Through a series of experiments on synthetic and benchmark tasks, we empirically demonstrate that MOGFNs outperform existing methods in terms of Hypervolume, R2-distance and candidate diversity. We also demonstrate the effectiveness of MOGFNs over existing methods in active learning settings. Finally, we supplement our empirical results with a careful analysis of each component of MOGFNs.

We present Subject Fidelity Optimization (SFO), a novel comparative learning framework for zero-shot subject-driven generation that enhances subject fidelity. Beyond supervised fine-tuning methods that rely only on positive targets and use the diffusion loss as in the pre-training stage, SFO introduces synthetic negative targets and explicitly guides the model to favor positives over negatives through pairwise comparison. For negative targets, we propose Condition-Degradation Negative Sampling (CDNS), which automatically generates distinctive and informative negatives by intentionally degrading visual and textual cues without expensive human annotations. Moreover, we reweight the diffusion timesteps to focus finetuning on intermediate steps where subject details emerge. Extensive experiments demonstrate that SFO with CDNS significantly outperforms baselines in terms of both subject fidelity and text alignment on a subject-driven generation benchmark. Project page: https://subjectfidelityoptimization.github.io/

We study the problem of optimizing a function under a budgeted number of evaluations. We only assume that the function is locally smooth around one of its global optima. The difficulty of optimization is measured in terms of 1) the amount of noise b of the function evaluation and 2) the local smoothness, d, of the function. A smaller d results in smaller optimization error. We come with a new, simple, and parameter-free approach. First, for all values of b and d, this approach recovers at least the state-of-the-art regret guarantees. Second, our approach additionally obtains these results while being agnostic to the values of both b and d. This leads to the first algorithm that naturally adapts to an unknown range of noise b and leads to significant improvements in a moderate and low-noise regime. Third, our approach also obtains a remarkable improvement over the state-of-the-art SOO algorithm when the noise is very low which includes the case of optimization under deterministic feedback (b=0). There, under our minimal local smoothness assumption, this improvement is of exponential magnitude and holds for a class of functions that covers the vast majority of functions that practitioners optimize (d=0). We show that our algorithmic improvement is borne out in experiments as we empirically show faster convergence on common benchmarks.

We show that diffusion models can achieve image sample quality superior to the current state-of-the-art generative models. We achieve this on unconditional image synthesis by finding a better architecture through a series of ablations. For conditional image synthesis, we further improve sample quality with classifier guidance: a simple, compute-efficient method for trading off diversity for fidelity using gradients from a classifier. We achieve an FID of 2.97 on ImageNet 128times128, 4.59 on ImageNet 256times256, and 7.72 on ImageNet 512times512, and we match BigGAN-deep even with as few as 25 forward passes per sample, all while maintaining better coverage of the distribution. Finally, we find that classifier guidance combines well with upsampling diffusion models, further improving FID to 3.94 on ImageNet 256times256 and 3.85 on ImageNet 512times512. We release our code at https://github.com/openai/guided-diffusion

Text-to-image (T2I) models excel on single-entity prompts but struggle with multi-subject descriptions, often showing attribute leakage, identity entanglement, and subject omissions. We introduce the first theoretical framework with a principled, optimizable objective for steering sampling dynamics toward multi-subject fidelity. Viewing flow matching (FM) through stochastic optimal control (SOC), we formulate subject disentanglement as control over a trained FM sampler. This yields two architecture-agnostic algorithms: (i) a training-free test-time controller that perturbs the base velocity with a single-pass update, and (ii) Adjoint Matching, a lightweight fine-tuning rule that regresses a control network to a backward adjoint signal while preserving base-model capabilities. The same formulation unifies prior attention heuristics, extends to diffusion models via a flow-diffusion correspondence, and provides the first fine-tuning route explicitly designed for multi-subject fidelity. Empirically, on Stable Diffusion 3.5, FLUX, and Stable Diffusion XL, both algorithms consistently improve multi-subject alignment while maintaining base-model style. Test-time control runs efficiently on commodity GPUs, and fine-tuned controllers trained on limited prompts generalize to unseen ones. We further highlight FOCUS (Flow Optimal Control for Unentangled Subjects), which achieves state-of-the-art multi-subject fidelity across models.

Optimizing complex systems, ranging from LLM prompts to multi-turn agents, traditionally requires labor-intensive manual iteration. We formalize this challenge as a stochastic generative optimization problem where a generative language model acts as the optimizer, guided by numerical rewards and text feedback to discover the best system. We introduce Prioritized Optimization with Local Contextual Aggregation (POLCA), a scalable framework designed to handle stochasticity in optimization -- such as noisy feedback, sampling minibatches, and stochastic system behaviors -- while effectively managing the unconstrained expansion of solution space. POLCA maintains a priority queue to manage the exploration-exploitation tradeoff, systematically tracking candidate solutions and their evaluation histories. To enhance efficiency, we integrate an varepsilon-Net mechanism to maintain parameter diversity and an LLM Summarizer to perform meta-learning across historical trials. We theoretically prove that POLCA converges to near-optimal candidate solutions under stochasticity. We evaluate our framework on diverse benchmarks, including τ-bench, HotpotQA (agent optimization), VeriBench (code translation) and KernelBench (CUDA kernel generation). Experimental results demonstrate that POLCA achieves robust, sample and time-efficient performance, consistently outperforming state-of-the-art algorithms in both deterministic and stochastic problems. The codebase for this work is publicly available at https://github.com/rlx-lab/POLCA.

Recent advances in text-to-image (T2I) generation have achieved remarkable visual outcomes through large-scale rectified flow models. However, how these models behave under long prompts remains underexplored. Long prompts encode rich content, spatial, and stylistic information that enhances fidelity but often suppresses diversity, leading to repetitive and less creative outputs. In this work, we systematically study this fidelity-diversity dilemma and reveal that state-of-the-art models exhibit a clear drop in diversity as prompt length increases. To enable consistent evaluation, we introduce LPD-Bench, a benchmark designed for assessing both fidelity and diversity in long-prompt generation. Building on our analysis, we develop a theoretical framework that increases sampling entropy through prompt reformulation and propose a training-free method, PromptMoG, which samples prompt embeddings from a Mixture-of-Gaussians in the embedding space to enhance diversity while preserving semantics. Extensive experiments on four state-of-the-art models, SD3.5-Large, Flux.1-Krea-Dev, CogView4, and Qwen-Image, demonstrate that PromptMoG consistently improves long-prompt generation diversity without semantic drifting.

Learning to optimize has emerged as a powerful framework for various optimization and machine learning tasks. Current such "meta-optimizers" often learn in the space of continuous optimization algorithms that are point-based and uncertainty-unaware. To overcome the limitations, we propose a meta-optimizer that learns in the algorithmic space of both point-based and population-based optimization algorithms. The meta-optimizer targets at a meta-loss function consisting of both cumulative regret and entropy. Specifically, we learn and interpret the update formula through a population of LSTMs embedded with sample- and feature-level attentions. Meanwhile, we estimate the posterior directly over the global optimum and use an uncertainty measure to help guide the learning process. Empirical results over non-convex test functions and the protein-docking application demonstrate that this new meta-optimizer outperforms existing competitors.

Visual designers naturally draw inspiration from multiple visual references, combining diverse elements and aesthetic principles to create artwork. However, current image generative frameworks predominantly rely on single-source inputs -- either text prompts or individual reference images. In this paper, we focus on the task of controllable image generation using multiple visual references. We introduce MultiRef-bench, a rigorous evaluation framework comprising 990 synthetic and 1,000 real-world samples that require incorporating visual content from multiple reference images. The synthetic samples are synthetically generated through our data engine RefBlend, with 10 reference types and 33 reference combinations. Based on RefBlend, we further construct a dataset MultiRef containing 38k high-quality images to facilitate further research. Our experiments across three interleaved image-text models (i.e., OmniGen, ACE, and Show-o) and six agentic frameworks (e.g., ChatDiT and LLM + SD) reveal that even state-of-the-art systems struggle with multi-reference conditioning, with the best model OmniGen achieving only 66.6% in synthetic samples and 79.0% in real-world cases on average compared to the golden answer. These findings provide valuable directions for developing more flexible and human-like creative tools that can effectively integrate multiple sources of visual inspiration. The dataset is publicly available at: https://multiref.github.io/.

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.

Multi-task learning (MTL) enables a joint model to capture commonalities across multiple tasks, reducing computation costs and improving data efficiency. However, a major challenge in MTL optimization is task conflicts, where the task gradients differ in direction or magnitude, limiting model performance compared to single-task counterparts. Sharpness-aware minimization (SAM) minimizes task loss while simultaneously reducing the sharpness of the loss landscape. Our empirical observations show that SAM effectively mitigates task conflicts in MTL. Motivated by these findings, we explore integrating SAM into MTL but face two key challenges. While both the average loss gradient and individual task gradients-referred to as global and local information-contribute to SAM, how to combine them remains unclear. Moreover, directly computing each task gradient introduces significant computational and memory overheads. To address these challenges, we propose SAMO, a lightweight Sharpness-Aware Multi-task Optimization approach, that leverages a joint global-local perturbation. The local perturbations are approximated using only forward passes and are layerwise normalized to improve efficiency. Extensive experiments on a suite of multi-task benchmarks demonstrate both the effectiveness and efficiency of our method. Code is available at https://github.com/OptMN-Lab/SAMO.

Bayesian optimisation is a popular, surrogate model-based approach for optimising expensive black-box functions. Given a surrogate model, the next location to expensively evaluate is chosen via maximisation of a cheap-to-query acquisition function. We present an epsilon-greedy procedure for Bayesian optimisation in batch settings in which the black-box function can be evaluated multiple times in parallel. Our epsilon-shotgun algorithm leverages the model's prediction, uncertainty, and the approximated rate of change of the landscape to determine the spread of batch solutions to be distributed around a putative location. The initial target location is selected either in an exploitative fashion on the mean prediction, or -- with probability epsilon -- from elsewhere in the design space. This results in locations that are more densely sampled in regions where the function is changing rapidly and in locations predicted to be good (i.e close to predicted optima), with more scattered samples in regions where the function is flatter and/or of poorer quality. We empirically evaluate the epsilon-shotgun methods on a range of synthetic functions and two real-world problems, finding that they perform at least as well as state-of-the-art batch methods and in many cases exceed their performance.

As the demand for comprehensive evaluations of diverse model capabilities steadily increases, benchmark suites have correspondingly grown significantly in scale. Despite notable advances in redundancy reduction and subset-level performance prediction, a systematic framework that effectively integrates these methods to ensure both prediction accuracy and ranking consistency is still largely elusive. In this paper, we first perform a sample-level analysis of benchmark redundancy and identify several highly similar samples that can be eliminated. Besides, we frame benchmark compression as an optimization problem with the aim of score reconstruction. Building on these, we then propose EssenceBench, a coarse-to-fine framework utilizing an iterative Genetic Algorithm (GA), which takes the advantages of fitness-based subset search and attribution-based sample search. Compared to previous methods, our approach yields superior compression results with lower reconstruction error and markedly higher efficiency. In particular, on the HellaSwag benchmark (10K samples), our method preserves the ranking of all models shifting within 5% using 25x fewer samples, and achieves 95% ranking preservation shifting within 5% using only 200x fewer samples.

The Base-New Trade-off (BNT) problem universally exists during the optimization of CLIP-based prompt tuning, where continuous fine-tuning on base (target) classes leads to a simultaneous decrease of generalization ability on new (unseen) classes. Existing approaches attempt to regulate the prompt tuning process to balance BNT by appending constraints. However, imposed on the same target prompt, these constraints fail to fully avert the mutual exclusivity between the optimization directions for base and new. As a novel solution to this challenge, we propose the plug-and-play Dual-Prompt Collaboration (DPC) framework, the first that decoupling the optimization processes of base and new tasks at the prompt level. Specifically, we clone a learnable parallel prompt based on the backbone prompt, and introduce a variable Weighting-Decoupling framework to independently control the optimization directions of dual prompts specific to base or new tasks, thus avoiding the conflict in generalization. Meanwhile, we propose a Dynamic Hard Negative Optimizer, utilizing dual prompts to construct a more challenging optimization task on base classes for enhancement. For interpretability, we prove the feature channel invariance of the prompt vector during the optimization process, providing theoretical support for the Weighting-Decoupling of DPC. Extensive experiments on multiple backbones demonstrate that DPC can significantly improve base performance without introducing any external knowledge beyond the base classes, while maintaining generalization to new classes. Code is available at: https://github.com/JREion/DPC.

Evolutionary multiobjective optimization (EMO) has made significant strides over the past two decades. However, as problem scales and complexities increase, traditional EMO algorithms face substantial performance limitations due to insufficient parallelism and scalability. While most work has focused on algorithm design to address these challenges, little attention has been given to hardware acceleration, thereby leaving a clear gap between EMO algorithms and advanced computing devices, such as GPUs. To bridge the gap, we propose to parallelize EMO algorithms on GPUs via the tensorization methodology. By employing tensorization, the data structures and operations of EMO algorithms are transformed into concise tensor representations, which seamlessly enables automatic utilization of GPU computing. We demonstrate the effectiveness of our approach by applying it to three representative EMO algorithms: NSGA-III, MOEA/D, and HypE. To comprehensively assess our methodology, we introduce a multiobjective robot control benchmark using a GPU-accelerated physics engine. Our experiments show that the tensorized EMO algorithms achieve speedups of up to 1113x compared to their CPU-based counterparts, while maintaining solution quality and effectively scaling population sizes to hundreds of thousands. Furthermore, the tensorized EMO algorithms efficiently tackle complex multiobjective robot control tasks, producing high-quality solutions with diverse behaviors. Source codes are available at https://github.com/EMI-Group/evomo.

This paper studies the black-box optimization task which aims to find the maxima of a black-box function using a static set of its observed input-output pairs. This is often achieved via learning and optimizing a surrogate function with that offline data. Alternatively, it can also be framed as an inverse modeling task that maps a desired performance to potential input candidates that achieve it. Both approaches are constrained by the limited amount of offline data. To mitigate this limitation, we introduce a new perspective that casts offline optimization as a distributional translation task. This is formulated as learning a probabilistic bridge transforming an implicit distribution of low-value inputs (i.e., offline data) into another distribution of high-value inputs (i.e., solution candidates). Such probabilistic bridge can be learned using low- and high-value inputs sampled from synthetic functions that resemble the target function. These synthetic functions are constructed as the mean posterior of multiple Gaussian processes fitted with different parameterizations on the offline data, alleviating the data bottleneck. The proposed approach is evaluated on an extensive benchmark comprising most recent methods, demonstrating significant improvement and establishing a new state-of-the-art performance. Our code is publicly available at https://github.com/cuong-dm/ROOT.

Multi-preference optimization enriches language-model alignment beyond pairwise preferences by contrasting entire sets of helpful and undesired responses, thereby enabling richer training signals for large language models. During self-play alignment, these models often produce numerous candidate answers per query, rendering it computationally infeasible to include all responses in the training objective. In this work, we propose Active Multi-Preference Optimization (AMPO), a novel approach that combines on-policy generation, a multi-preference group-contrastive loss, and active subset selection. Specifically, we score and embed large candidate pools of responses and then select a small, yet informative, subset that covers reward extremes and distinct semantic clusters for preference optimization. Our contrastive training scheme is capable of identifying not only the best and worst answers but also subtle, underexplored modes that are crucial for robust alignment. Theoretically, we provide guarantees for expected reward maximization using our active selection method, and empirically, AMPO achieves state-of-the-art results on AlpacaEval using Llama 8B.

We propose an extension of Thompson sampling to optimization problems over function spaces where the objective is a known functional of an unknown operator's output. We assume that queries to the operator (such as running a high-fidelity simulator or physical experiment) are costly, while functional evaluations on the operator's output are inexpensive. Our algorithm employs a sample-then-optimize approach using neural operator surrogates. This strategy avoids explicit uncertainty quantification by treating trained neural operators as approximate samples from a Gaussian process (GP) posterior. We derive regret bounds and theoretical results connecting neural operators with GPs in infinite-dimensional settings. Experiments benchmark our method against other Bayesian optimization baselines on functional optimization tasks involving partial differential equations of physical systems, demonstrating better sample efficiency and significant performance gains.

Multi-objective alignment from human feedback (MOAHF) in large language models (LLMs) is a challenging problem as human preferences are complex, multifaceted, and often conflicting. Recent works on MOAHF considered a-priori multi-objective optimization (MOO), where human preferences are known at training or inference time. In contrast, when human preferences are unknown or difficult to quantify, a natural approach is to cover the Pareto front by multiple diverse solutions. We propose an algorithm HaM for learning diverse LLM policies that maximizes their hypervolume. This is the first application of a-posteriori MOO to MOAHF. HaM is computationally and space efficient, and empirically superior across objectives such as harmlessness, helpfulness, humor, faithfulness, and hallucination, on various datasets.

Given a set of K probability densities, we consider the multimarginal generative modeling problem of learning a joint distribution that recovers these densities as marginals. The structure of this joint distribution should identify multi-way correspondences among the prescribed marginals. We formalize an approach to this task within a generalization of the stochastic interpolant framework, leading to efficient learning algorithms built upon dynamical transport of measure. Our generative models are defined by velocity and score fields that can be characterized as the minimizers of simple quadratic objectives, and they are defined on a simplex that generalizes the time variable in the usual dynamical transport framework. The resulting transport on the simplex is influenced by all marginals, and we show that multi-way correspondences can be extracted. The identification of such correspondences has applications to style transfer, algorithmic fairness, and data decorruption. In addition, the multimarginal perspective enables an efficient algorithm for reducing the dynamical transport cost in the ordinary two-marginal setting. We demonstrate these capacities with several numerical examples.

Consistency-based generative models like Shortcut and MeanFlow achieve impressive results via a target-aware design for solving the Probability Flow ODE (PF-ODE). Typically, such methods introduce a target time r alongside the current time t to modulate outputs between a local multi-step derivative (r = t) and a global few-step integral (r = 0). However, the conventional "one input, one output" paradigm enforces a partition of the training budget, often allocating a significant portion (e.g., 75% in MeanFlow) solely to the multi-step objective for stability. This separation forces a trade-off: allocating sufficient samples to the multi-step objective leaves the few-step generation undertrained, which harms convergence and limits scalability. To this end, we propose Duality Models (DuMo) via a "one input, dual output" paradigm. Using a shared backbone with dual heads, DuMo simultaneously predicts velocity v_t and flow-map u_t from a single input x_t. This applies geometric constraints from the multi-step objective to every sample, bounding the few-step estimation without separating training objectives, thereby significantly improving stability and efficiency. On ImageNet 256 times 256, a 679M Diffusion Transformer with SD-VAE achieves a state-of-the-art (SOTA) FID of 1.79 in just 2 steps. Code is available at: https://github.com/LINs-lab/DuMo

Traditional approaches to portfolio optimization, often rooted in Modern Portfolio Theory and solved via quadratic programming or evolutionary algorithms, struggle with scalability or flexibility, especially in scenarios involving complex constraints, large datasets and/or multiple conflicting objectives. To address these challenges, we introduce a benchmark framework for multi-objective portfolio optimization (MPO) using gradient descent with automatic differentiation. Our method supports any optimization objective, such as minimizing risk measures (e.g., CVaR) or maximizing Sharpe ratio, along with realistic constraints, such as tracking error limits, UCITS regulations, or asset group restrictions. We have evaluated our framework across six experimental scenarios, from single-objective setups to complex multi-objective cases, and have compared its performance against standard solvers like CVXPY and SKFOLIO. Our results show that our method achieves competitive performance while offering enhanced flexibility for modeling multiple objectives and constraints. We aim to provide a practical and extensible tool for researchers and practitioners exploring advanced portfolio optimization problems in real-world conditions.

Lossy image compression aims to represent images in as few bits as possible while maintaining fidelity to the original. Theoretical results indicate that optimizing distortion metrics such as PSNR or MS-SSIM necessarily leads to a discrepancy in the statistics of original images from those of reconstructions, in particular at low bitrates, often manifested by the blurring of the compressed images. Previous work has leveraged adversarial discriminators to improve statistical fidelity. Yet these binary discriminators adopted from generative modeling tasks may not be ideal for image compression. In this paper, we introduce a non-binary discriminator that is conditioned on quantized local image representations obtained via VQ-VAE autoencoders. Our evaluations on the CLIC2020, DIV2K and Kodak datasets show that our discriminator is more effective for jointly optimizing distortion (e.g., PSNR) and statistical fidelity (e.g., FID) than the state-of-the-art HiFiC model. On the CLIC2020 test set, we obtain the same FID as HiFiC with 30-40% fewer bits.

Current LLM agent benchmarks, which predominantly focus on binary pass/fail tasks such as code generation or search-based question answering, often neglect the value of real-world engineering that is often captured through the iterative optimization of feasible designs. To this end, we introduce Frontier-Eng, a human-verified benchmark for generative optimization -- an iterative propose-execute-evaluate loop in which an agent generates candidate artifacts, receives executable verifier feedback, and revises them under a fixed interaction budget -- spanning 47 tasks across five broad engineering categories. Unlike previous suites, Frontier-Eng tasks are grounded in industrial-grade simulators and verifiers that provide continuous reward signals and enforce hard feasibility constraints under constrained budgets. We evaluate eight frontier language models using representative search frameworks, finding that while Claude 4.6 Opus achieves the most robust performance, the benchmark remains challenging for all models. Our analysis suggests a dual power-law decay in improvement frequency (sim 1/iteration) and magnitude (sim 1/improvement count). We further show that although width improves parallelism and diversity, depth remains crucial for hard-won improvements under a fixed budget. Frontier-Eng establishes a new standard for assessing the capacity of AI agents to integrate domain knowledge with executable feedback to solve complex, open-ended engineering problems.

Aligning large language models to human preferences is inherently multidimensional, yet most pipelines collapse heterogeneous signals into a single optimizeable objective. We seek to answer what it would take to simultaneously align a model across various domains spanning those with: verifiable rewards (mathematical accuracy), non-verifiable subjective preferences (human values), and complex interactive scenarios (multi-turn AI tutoring dialogues). Such multi-objective reinforcement learning setups are often plagued by the individual objectives being at odds with each other, resulting in inefficient training and little user control during inference. We propose a unified framework that: (i) standardizes {process reward model} (PRM) training across both verifiable and non-verifiable settings to better supervise models' chain-of-thought reasoning; (ii) performs {multi-objective alignment} by training the LLM with our Multi-Action-Head DPO (MAH-DPO) and a vectorized reward where the dimensions of the vector correspond to the various objectives instead of a single scalar; and (iii) demonstrates how such a system provides fine-grained inference-time user control. Experiments across math reasoning, value alignment, and multi-turn dialogue show that our framework improves performance across multiple objectives simultaneously, while minimizing cross-objective trade-offs and enabling flexible inference time user control. The code can be found at https://github.com/pearls-lab/multiobj-align.

In this paper, we introduce a novel approach for addressing the multi-objective optimization problem in large language model merging via black-box multi-objective optimization algorithms. The goal of model merging is to combine multiple models, each excelling in different tasks, into a single model that outperforms any of the individual source models. However, model merging faces two significant challenges: First, existing methods rely heavily on human knowledge or intuition. Second, it's difficult to obtain the great model merging configuration in limited evaluations. To address these challenges, we formalize model merging as a multi-objective optimization problem and propose an automated optimization approach named MM-MO. This method leverages multi-objective optimization algorithms to autonomously search for optimal merging configurations across various tasks, alleviating the need for human intervention. In MM-MO, a weak-to-strong method is employed to enhance the acquisition function, allowing previously evaluated superior configurations to guide the search for new ones. Meanwhile, Fisher information is applied to screen these configurations, increasing the possibility of identifying high-quality merging configuration. Additionally, we designed a sparsity metric as an additional optimization objective to enhance the model's generalization performance across different tasks. We conducted comprehensive experiments with other mainstream model merging methods, demonstrating that the proposed MM-MO algorithm is competitive and effective in achieving high-quality model merging.

Optimization plays a costly and crucial role in developing machine learning systems. In learned optimizers, the few hyperparameters of commonly used hand-designed optimizers, e.g. Adam or SGD, are replaced with flexible parametric functions. The parameters of these functions are then optimized so that the resulting learned optimizer minimizes a target loss on a chosen class of models. Learned optimizers can both reduce the number of required training steps and improve the final test loss. However, they can be expensive to train, and once trained can be expensive to use due to computational and memory overhead for the optimizer itself. In this work, we identify and quantify the design features governing the memory, compute, and performance trade-offs for many learned and hand-designed optimizers. We further leverage our analysis to construct a learned optimizer that is both faster and more memory efficient than previous work. Our model and training code are open source.

We propose a novel approach to scaling LLM inference for code generation. We frame code generation as a black box optimization problem within the code space, and employ optimization-inspired techniques to enhance exploration. Specifically, we introduce Scattered Forest Search to enhance solution diversity while searching for solutions. Our theoretical analysis illustrates how these methods avoid local optima during optimization. Extensive experiments on HumanEval, MBPP, APPS, CodeContests, and Leetcode reveal significant performance improvements. For instance, our method achieves a pass@1 rate of 67.1% on HumanEval+ and 87.2% on HumanEval with GPT-3.5, marking improvements of 8.6% and 4.3% over the state-of-the-art, while also halving the iterations needed to find the correct solution. Furthermore, our method scales more efficiently than existing search techniques, including tree search, line search, and repeated sampling.

We propose a method that achieves near-optimal rates for smooth stochastic convex optimization and requires essentially no prior knowledge of problem parameters. This improves on prior work which requires knowing at least the initial distance to optimality d0. Our method, U-DoG, combines UniXGrad (Kavis et al., 2019) and DoG (Ivgi et al., 2023) with novel iterate stabilization techniques. It requires only loose bounds on d0 and the noise magnitude, provides high probability guarantees under sub-Gaussian noise, and is also near-optimal in the non-smooth case. Our experiments show consistent, strong performance on convex problems and mixed results on neural network training.

Contemporary text-to-image models exhibit a surprising degree of mode collapse, as can be seen when sampling several images given the same text prompt. While previous work has attempted to address this issue by steering the model using guidance mechanisms, or by generating a large pool of candidates and refining them, in this work we take a different direction and aim for diversity in generations via noise optimization. Specifically, we show that a simple noise optimization objective can mitigate mode collapse while preserving the fidelity of the base model. We also analyze the frequency characteristics of the noise and show that alternative noise initializations with different frequency profiles can improve both optimization and search. Our experiments demonstrate that noise optimization yields superior results in terms of generation quality and variety.

Combinatorial optimization problems are ubiquitous in science and engineering. Still, learning-based approaches to accelerate combinatorial optimization often require solving a large number of difficult instances to collect training data, incurring significant computational cost. Existing learning-based methods require training dedicated models for each problem distribution, for each downstream task, severely limiting their scalability and generalization. We introduce Forge: Foundational Optimization Representations from Graph Embeddings, a framework that pre-trains a vector-quantized graph autoencoder on a large, diverse collection of mixed-integer programming (MIP) instances in an unsupervised manner, without relying on optimization solvers or optimal solutions. Vector quantization produces discrete code assignments that serve as a vocabulary for representing optimization instances. We evaluate Forge in both unsupervised and supervised settings. In the unsupervised setting, Forge embeddings effectively cluster unseen instances across problem domains and sizes. In the supervised setting, we fine-tune Forge embeddings and show that a single pre-trained model helps predicting both the integrality gap for cut-generation and variable hints for search guidance across multiple problem and size distributions. In both tasks, we improve the performance of a commercial optimization solver and outperform state-of-the-art learning-based methods. Finally, we open-source our training code, pre-trained Forge weights, and embeddings for multiple MIP distributions to foster further research in representation learning for optimization problems.

Developing efficient multi-objective optimization methods to compute the Pareto set of optimal compromises between conflicting objectives remains a key challenge, especially for large-scale and expensive problems. To bridge this gap, we introduce SPREAD, a generative framework based on Denoising Diffusion Probabilistic Models (DDPMs). SPREAD first learns a conditional diffusion process over points sampled from the decision space and then, at each reverse diffusion step, refines candidates via a sampling scheme that uses an adaptive multiple gradient descent-inspired update for fast convergence alongside a Gaussian RBF-based repulsion term for diversity. Empirical results on multi-objective optimization benchmarks, including offline and Bayesian surrogate-based settings, show that SPREAD matches or exceeds leading baselines in efficiency, scalability, and Pareto front coverage.

Computing a Gaussian process (GP) posterior has a computational cost cubical in the number of historical points. A reformulation of the same GP posterior highlights that this complexity mainly depends on how many unique historical points are considered. This can have important implication in active learning settings, where the set of historical points is constructed sequentially by the learner. We show that sequential black-box optimization based on GPs (GP-Opt) can be made efficient by sticking to a candidate solution for multiple evaluation steps and switch only when necessary. Limiting the number of switches also limits the number of unique points in the history of the GP. Thus, the efficient GP reformulation can be used to exactly and cheaply compute the posteriors required to run the GP-Opt algorithms. This approach is especially useful in real-world applications of GP-Opt with high switch costs (e.g. switching chemicals in wet labs, data/model loading in hyperparameter optimization). As examples of this meta-approach, we modify two well-established GP-Opt algorithms, GP-UCB and GP-EI, to switch candidates as infrequently as possible adapting rules from batched GP-Opt. These versions preserve all the theoretical no-regret guarantees while improving practical aspects of the algorithms such as runtime, memory complexity, and the ability of batching candidates and evaluating them in parallel.

Simulation optimization (SO) is frequently challenged by noisy evaluations, high computational costs, and complex, multimodal search landscapes. This paper introduces Tabu-Enhanced Simulation Optimization (TESO), a novel metaheuristic framework integrating adaptive search with memory-based strategies. TESO leverages a short-term Tabu List to prevent cycling and encourage diversification, and a long-term Elite Memory to guide intensification by perturbing high-performing solutions. An aspiration criterion allows overriding tabu restrictions for exceptional candidates. This combination facilitates a dynamic balance between exploration and exploitation in stochastic environments. We demonstrate TESO's effectiveness and reliability using an queue optimization problem, showing improved performance compared to benchmarks and validating the contribution of its memory components. Source code and data are available at: https://github.com/bulentsoykan/TESO.

Optimal configuration of the learning rate (LR) is a fundamental yet formidable challenge in large-scale pre-training. Given the stringent trade-off between training costs and model performance, the pivotal question is whether the optimal LR can be accurately extrapolated from low-cost experiments. In this paper, we formalize this investigation into two distinct research paradigms: Fitting and Transfer. Within the Fitting Paradigm, we innovatively introduce a Scaling Law for search factor, effectively reducing the search complexity from O(n^3) to O(n*C_D*C_η) via predictive modeling. Within the Transfer Paradigm, we extend the principles of μTransfer to the Mixture of Experts (MoE) architecture, broadening its applicability to encompass model depth, weight decay, and token horizons. By pushing the boundaries of existing hyperparameter research in terms of scale, we conduct a comprehensive comparison between these two paradigms. Our empirical results challenge the scalability of the widely adopted μ Transfer in large-scale pre-training scenarios. Furthermore, we provide a rigorous analysis through the dual lenses of training stability and feature learning to elucidate the underlying reasons why module-wise parameter tuning underperforms in large-scale settings. This work offers systematic practical guidelines and a fresh theoretical perspective for optimizing industrial-level pre-training.

Alignment in artificial intelligence pursues the consistency between model responses and human preferences as well as values. In practice, the multifaceted nature of human preferences inadvertently introduces what is known as the "alignment tax" -a compromise where enhancements in alignment within one objective (e.g.,harmlessness) can diminish performance in others (e.g.,helpfulness). However, existing alignment techniques are mostly unidirectional, leading to suboptimal trade-offs and poor flexibility over various objectives. To navigate this challenge, we argue the prominence of grounding LLMs with evident preferences. We introduce controllable preference optimization (CPO), which explicitly specifies preference scores for different objectives, thereby guiding the model to generate responses that meet the requirements. Our experimental analysis reveals that the aligned models can provide responses that match various preferences among the "3H" (helpfulness, honesty, harmlessness) desiderata. Furthermore, by introducing diverse data and alignment goals, we surpass baseline methods in aligning with single objectives, hence mitigating the impact of the alignment tax and achieving improvements in multi-objective alignment.

Amid mounting concern about the reliability and credibility of machine learning research, we present a principled framework for making robust and generalizable claims: the multiverse analysis. Our framework builds upon the multiverse analysis (Steegen et al., 2016) introduced in response to psychology's own reproducibility crisis. To efficiently explore high-dimensional and often continuous ML search spaces, we model the multiverse with a Gaussian Process surrogate and apply Bayesian experimental design. Our framework is designed to facilitate drawing robust scientific conclusions about model performance, and thus our approach focuses on exploration rather than conventional optimization. In the first of two case studies, we investigate disputed claims about the relative merit of adaptive optimizers. Second, we synthesize conflicting research on the effect of learning rate on the large batch training generalization gap. For the machine learning community, the multiverse analysis is a simple and effective technique for identifying robust claims, for increasing transparency, and a step toward improved reproducibility.

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.

A fundamental dilemma in generative modeling persists: iterative diffusion models achieve outstanding fidelity, but at a significant computational cost, while efficient few-step alternatives are constrained by a hard quality ceiling. This conflict between generation steps and output quality arises from restrictive training objectives that focus exclusively on either infinitesimal dynamics (PF-ODEs) or direct endpoint prediction. We address this challenge by introducing an exact, continuous-time dynamics equation that analytically defines state transitions across any finite time interval. This leads to a novel generative paradigm, Transition Models (TiM), which adapt to arbitrary-step transitions, seamlessly traversing the generative trajectory from single leaps to fine-grained refinement with more steps. Despite having only 865M parameters, TiM achieves state-of-the-art performance, surpassing leading models such as SD3.5 (8B parameters) and FLUX.1 (12B parameters) across all evaluated step counts. Importantly, unlike previous few-step generators, TiM demonstrates monotonic quality improvement as the sampling budget increases. Additionally, when employing our native-resolution strategy, TiM delivers exceptional fidelity at resolutions up to 4096x4096.

Matrix-based optimizers have attracted growing interest for improving LLM training efficiency, with significant progress centered on orthogonalization/whitening based methods. While yielding substantial performance gains, a fundamental question arises: can we develop new paradigms beyond orthogonalization, pushing the efficiency frontier further? We present Adaptively Rotated Optimization (ARO, a new matrix optimization framework that treats gradient rotation as a first class design principle. ARO accelerates LLM training by performing normed steepest descent in a rotated coordinate system, where the rotation is determined by a novel norm-informed policy. This perspective yields update rules that go beyond existing orthogonalization and whitening optimizers, improving sample efficiency in practice. To make comparisons reliable, we propose a rigorously controlled benchmarking protocol that reduces confounding and bias. Under this protocol, ARO consistently outperforms AdamW (by 1.3 sim1.35times) and orthogonalization methods (by 1.1sim1.15times) in LLM pretraining at up to 8B activated parameters, and up to 8times overtrain budget, without evidence of diminishing returns. Finally, we discuss how ARO can be reformulated as a symmetry-aware optimizer grounded in rotational symmetries of residual streams, motivating advanced designs that enable computationally efficient exploitation of cross-layer/cross module couplings.

Training learned image compression (LIC) models entails navigating a challenging optimization landscape defined by the fundamental trade-off between rate and distortion. Standard first-order optimizers, such as SGD and Adam, struggle with gradient conflicts arising from competing objectives, leading to slow convergence and suboptimal rate-distortion performance. In this work, we demonstrate that a simple utilization of a second-order quasi-Newton optimizer, SOAP, dramatically improves both training efficiency and final performance across diverse LICs. Our theoretical and empirical analyses reveal that Newton preconditioning inherently resolves the intra-step and inter-step update conflicts intrinsic to the R-D objective, facilitating faster, more stable convergence. Beyond acceleration, we uncover a critical deployability benefit: second-order trained models exhibit significantly fewer activation and latent outliers. This substantially enhances robustness to post-training quantization. Together, these results establish second-order optimization, achievable as a seamless drop-in replacement of the imported optimizer, as a powerful, practical tool for advancing the efficiency and real-world readiness of LICs.

Diffusion models are well known for their ability to generate a high-fidelity image for an input prompt through an iterative denoising process. Unfortunately, the high fidelity also comes at a high computational cost due the inherently sequential generative process. In this work, we seek to optimally balance quality and computational cost, and propose a framework to allow the amount of computation to vary for each prompt, depending on its complexity. Each prompt is automatically routed to the most appropriate text-to-image generation function, which may correspond to a distinct number of denoising steps of a diffusion model, or a disparate, independent text-to-image model. Unlike uniform cost reduction techniques (e.g., distillation, model quantization), our approach achieves the optimal trade-off by learning to reserve expensive choices (e.g., 100+ denoising steps) only for a few complex prompts, and employ more economical choices (e.g., small distilled model) for less sophisticated prompts. We empirically demonstrate on COCO and DiffusionDB that by learning to route to nine already-trained text-to-image models, our approach is able to deliver an average quality that is higher than that achievable by any of these models alone.

Inference-time scaling offers a versatile paradigm for aligning visual generative models with downstream objectives without parameter updates. However, existing approaches that optimize the high-dimensional initial noise suffer from severe inefficiency, as many search directions exert negligible influence on the final generation. We show that this inefficiency is closely related to a spectral bias in generative dynamics: model sensitivity to initial perturbations diminishes rapidly as frequency increases. Building on this insight, we propose Spectral Evolution Search (SES), a plug-and-play framework for initial noise optimization that executes gradient-free evolutionary search within a low-frequency subspace. Theoretically, we derive the Spectral Scaling Prediction from perturbation propagation dynamics, which explains the systematic differences in the impact of perturbations across frequencies. Extensive experiments demonstrate that SES significantly advances the Pareto frontier of generation quality versus computational cost, consistently outperforming strong baselines under equivalent budgets.

Exploration is a key problem in reinforcement learning, since agents can only learn from data they acquire in the environment. With that in mind, maintaining a population of agents is an attractive method, as it allows data be collected with a diverse set of behaviors. This behavioral diversity is often boosted via multi-objective loss functions. However, those approaches typically leverage mean field updates based on pairwise distances, which makes them susceptible to cycling behaviors and increased redundancy. In addition, explicitly boosting diversity often has a detrimental impact on optimizing already fruitful behaviors for rewards. As such, the reward-diversity trade off typically relies on heuristics. Finally, such methods require behavioral representations, often handcrafted and domain specific. In this paper, we introduce an approach to optimize all members of a population simultaneously. Rather than using pairwise distance, we measure the volume of the entire population in a behavioral manifold, defined by task-agnostic behavioral embeddings. In addition, our algorithm Diversity via Determinants (DvD), adapts the degree of diversity during training using online learning techniques. We introduce both evolutionary and gradient-based instantiations of DvD and show they effectively improve exploration without reducing performance when better exploration is not required.

Many modern deep learning applications require balancing multiple objectives that are often conflicting. Examples include multi-task learning, fairness-aware learning, and the alignment of Large Language Models (LLMs). This leads to multi-objective deep learning, which tries to find optimal trade-offs or Pareto-optimal solutions by adapting mathematical principles from the field of Multi-Objective Optimization (MOO). However, directly applying gradient-based MOO techniques to deep neural networks presents unique challenges, including high computational costs, optimization instability, and the difficulty of effectively incorporating user preferences. This paper provides a comprehensive survey of gradient-based techniques for multi-objective deep learning. We systematically categorize existing algorithms based on their outputs: (i) methods that find a single, well-balanced solution, (ii) methods that generate a finite set of diverse Pareto-optimal solutions, and (iii) methods that learn a continuous Pareto set of solutions. In addition to this taxonomy, the survey covers theoretical analyses, key applications, practical resources, and highlights open challenges and promising directions for future research. A comprehensive list of multi-objective deep learning algorithms is available at https://github.com/Baijiong-Lin/Awesome-Multi-Objective-Deep-Learning.

While deep learning models have replaced hand-designed features across many domains, these models are still trained with hand-designed optimizers. In this work, we leverage the same scaling approach behind the success of deep learning to learn versatile optimizers. We train an optimizer for deep learning which is itself a small neural network that ingests gradients and outputs parameter updates. Meta-trained with approximately four thousand TPU-months of compute on a wide variety of optimization tasks, our optimizer not only exhibits compelling performance, but optimizes in interesting and unexpected ways. It requires no hyperparameter tuning, instead automatically adapting to the specifics of the problem being optimized. We open source our learned optimizer, meta-training code, the associated train and test data, and an extensive optimizer benchmark suite with baselines at velo-code.github.io.

Expensive multi-objective optimization problems (EMOPs) are common in real-world scenarios where evaluating objective functions is costly and involves extensive computations or physical experiments. Current Pareto set learning methods for such problems often rely on surrogate models like Gaussian processes to approximate the objective functions. These surrogate models can become fragmented, resulting in numerous small uncertain regions between explored solutions. When using acquisition functions such as the Lower Confidence Bound (LCB), these uncertain regions can turn into pseudo-local optima, complicating the search for globally optimal solutions. To address these challenges, we propose a novel approach called SVH-PSL, which integrates Stein Variational Gradient Descent (SVGD) with Hypernetworks for efficient Pareto set learning. Our method addresses the issues of fragmented surrogate models and pseudo-local optima by collectively moving particles in a manner that smooths out the solution space. The particles interact with each other through a kernel function, which helps maintain diversity and encourages the exploration of underexplored regions. This kernel-based interaction prevents particles from clustering around pseudo-local optima and promotes convergence towards globally optimal solutions. Our approach aims to establish robust relationships between trade-off reference vectors and their corresponding true Pareto solutions, overcoming the limitations of existing methods. Through extensive experiments across both synthetic and real-world MOO benchmarks, we demonstrate that SVH-PSL significantly improves the quality of the learned Pareto set, offering a promising solution for expensive multi-objective optimization problems.

Variance reduction (VR) techniques have contributed significantly to accelerating learning with massive datasets in the smooth and strongly convex setting (Schmidt et al., 2017; Johnson & Zhang, 2013; Roux et al., 2012). However, such techniques have not yet met the same success in the realm of large-scale deep learning due to various factors such as the use of data augmentation or regularization methods like dropout (Defazio & Bottou, 2019). This challenge has recently motivated the design of novel variance reduction techniques tailored explicitly for deep learning (Arnold et al., 2019; Ma & Yarats, 2018). This work is an additional step in this direction. In particular, we exploit the ubiquitous clustering structure of rich datasets used in deep learning to design a family of scalable variance reduced optimization procedures by combining existing optimizers (e.g., SGD+Momentum, Quasi Hyperbolic Momentum, Implicit Gradient Transport) with a multi-momentum strategy (Yuan et al., 2019). Our proposal leads to faster convergence than vanilla methods on standard benchmark datasets (e.g., CIFAR and ImageNet). It is robust to label noise and amenable to distributed optimization. We provide a parallel implementation in JAX.

In recent years, neural network-driven image compression (NIC) has gained significant attention. Some works adopt deep generative models such as GANs and diffusion models to enhance perceptual quality (realism). A critical obstacle of these generative NIC methods is that each model is optimized for a single bit rate. Consequently, multiple models are required to compress images to different bit rates, which is impractical for real-world applications. To tackle this issue, we propose a variable-rate generative NIC model. Specifically, we explore several discriminator designs tailored for the variable-rate approach and introduce a novel adversarial loss. Moreover, by incorporating the newly proposed multi-realism technique, our method allows the users to adjust the bit rate, distortion, and realism with a single model, achieving ultra-controllability. Unlike existing variable-rate generative NIC models, our method matches or surpasses the performance of state-of-the-art single-rate generative NIC models while covering a wide range of bit rates using just one model. Code will be available at https://github.com/iwa-shi/CRDR

We introduce a novel continual learning method based on multifidelity deep neural networks. This method learns the correlation between the output of previously trained models and the desired output of the model on the current training dataset, limiting catastrophic forgetting. On its own the multifidelity continual learning method shows robust results that limit forgetting across several datasets. Additionally, we show that the multifidelity method can be combined with existing continual learning methods, including replay and memory aware synapses, to further limit catastrophic forgetting. The proposed continual learning method is especially suited for physical problems where the data satisfy the same physical laws on each domain, or for physics-informed neural networks, because in these cases we expect there to be a strong correlation between the output of the previous model and the model on the current training domain.

While large language models (LLMs) have emerged as a significant advancement in artificial intelligence, the hardware and computational costs for training LLMs are also significantly burdensome. Among the state-of-the-art optimizers, AdamW relies on diagonal curvature estimates and ignores structural properties, while Muon applies global spectral normalization at the expense of losing curvature information. In this study, we restriked manifold optimization methods for training LLMs, which may address both optimizers' limitations, while conventional manifold optimization methods have been largely overlooked due to the poor performance in large-scale model optimization. By innovatively projecting the momentum onto the tangent space of model parameters and constraining it on a rotational Oblique manifold, we propose a novel, powerful, and efficient optimizer **Mano** that is the first to bridge the performance gap between manifold optimization and modern optimizers. Extensive experiments on the LLaMA and Qwen3 models demonstrate that Mano consistently and significantly outperforms AdamW and Muon even with less memory consumption and computational complexity, respectively, suggesting an expanded Pareto frontier in terms of space and time efficiency.

Real-valued functions on geometric data -- such as node attributes on a graph -- can be optimized using descriptors from persistent homology, allowing the user to incorporate topological terms in the loss function. When optimizing a single real-valued function (the one-parameter setting), there is a canonical choice of descriptor for persistent homology: the barcode. The operation mapping a real-valued function to its barcode is differentiable almost everywhere, and the convergence of gradient descent for losses using barcodes is relatively well understood. When optimizing a vector-valued function (the multiparameter setting), there is no unique choice of descriptor for multiparameter persistent homology, and many distinct descriptors have been proposed. This calls for the development of a general framework for differentiability and optimization that applies to a wide range of multiparameter homological descriptors. In this article, we develop such a framework and show that it encompasses well-known descriptors of different flavors, such as signed barcodes and the multiparameter persistence landscape. We complement the theory with numerical experiments supporting the idea that optimizing multiparameter homological descriptors can lead to improved performances compared to optimizing one-parameter descriptors, even when using the simplest and most efficiently computable multiparameter descriptors.

Guided sampling is a vital approach for applying diffusion models in real-world tasks that embeds human-defined guidance during the sampling procedure. This paper considers a general setting where the guidance is defined by an (unnormalized) energy function. The main challenge for this setting is that the intermediate guidance during the diffusion sampling procedure, which is jointly defined by the sampling distribution and the energy function, is unknown and is hard to estimate. To address this challenge, we propose an exact formulation of the intermediate guidance as well as a novel training objective named contrastive energy prediction (CEP) to learn the exact guidance. Our method is guaranteed to converge to the exact guidance under unlimited model capacity and data samples, while previous methods can not. We demonstrate the effectiveness of our method by applying it to offline reinforcement learning (RL). Extensive experiments on D4RL benchmarks demonstrate that our method outperforms existing state-of-the-art algorithms. We also provide some examples of applying CEP for image synthesis to demonstrate the scalability of CEP on high-dimensional data.

We study the problem of constrained efficient global optimization, where both the objective and constraints are expensive black-box functions that can be learned with Gaussian processes. We propose CONFIG (CONstrained efFIcient Global Optimization), a simple and effective algorithm to solve it. Under certain regularity assumptions, we show that our algorithm enjoys the same cumulative regret bound as that in the unconstrained case and similar cumulative constraint violation upper bounds. For commonly used Matern and Squared Exponential kernels, our bounds are sublinear and allow us to derive a convergence rate to the optimal solution of the original constrained problem. In addition, our method naturally provides a scheme to declare infeasibility when the original black-box optimization problem is infeasible. Numerical experiments on sampled instances from the Gaussian process, artificial numerical problems, and a black-box building controller tuning problem all demonstrate the competitive performance of our algorithm. Compared to the other state-of-the-art methods, our algorithm significantly improves the theoretical guarantees, while achieving competitive empirical performance.

Hyperparameter Optimization (HPO) is crucial to develop well-performing machine learning models. In order to ease prototyping and benchmarking of HPO methods, we propose carps, a benchmark framework for Comprehensive Automated Research Performance Studies allowing to evaluate N optimizers on M benchmark tasks. In this first release of carps, we focus on the four most important types of HPO task types: blackbox, multi-fidelity, multi-objective and multi-fidelity-multi-objective. With 3 336 tasks from 5 community benchmark collections and 28 variants of 9 optimizer families, we offer the biggest go-to library to date to evaluate and compare HPO methods. The carps framework relies on a purpose-built, lightweight interface, gluing together optimizers and benchmark tasks. It also features an analysis pipeline, facilitating the evaluation of optimizers on benchmarks. However, navigating a huge number of tasks while developing and comparing methods can be computationally infeasible. To address this, we obtain a subset of representative tasks by minimizing the star discrepancy of the subset, in the space spanned by the full set. As a result, we propose an initial subset of 10 to 30 diverse tasks for each task type, and include functionality to re-compute subsets as more benchmarks become available, enabling efficient evaluations. We also establish a first set of baseline results on these tasks as a measure for future comparisons. With carps (https://www.github.com/automl/CARP-S), we make an important step in the standardization of HPO evaluation.

Continual pre-training is widely used to adapt LLMs to target languages and domains, yet the mixture ratio of training data remains a sensitive hyperparameter that is expensive to tune: they must be fixed before training begins, and a suboptimal choice can waste weeks of compute. In this work, we propose OptiMer, which decouples ratio selection from training: we train one CPT model per dataset, extract each model's distribution vector, which represents the parameter shift induced by that dataset, and search for optimal composition weights post-hoc via Bayesian optimization. Experiments on Gemma 3 27B across languages (Japanese, Chinese) and domains (Math, Code) show that OptiMer consistently outperforms data mixture and model averaging baselines with 15-35 times lower search cost. Key findings reveal that 1) the optimized weights can be interpreted as data mixture ratios, and retraining with these ratios improves data mixture CPT, and 2) the same vector pool can be re-optimized for a given objective without any retraining, producing target-tailored models on demand. Our work establishes that data mixture ratio selection, traditionally a pre-training decision, can be reformulated as a post-hoc optimization over distribution vectors, offering a more flexible paradigm for continual pre-training.

Multimodal embedding models have gained significant attention for their ability to map data from different modalities, such as text and images, into a unified representation space. However, the limited labeled multimodal data often hinders embedding performance. Recent approaches have leveraged data synthesis to address this problem, yet the quality of synthetic data remains a critical bottleneck. In this work, we identify three criteria for high-quality synthetic multimodal data. First, broad scope ensures that the generated data covers diverse tasks and modalities, making it applicable to various downstream scenarios. Second, robust cross-modal alignment makes different modalities semantically consistent. Third, high fidelity ensures that the synthetic data maintains realistic details to enhance its reliability. Guided by these principles, we synthesize datasets that: (1) cover a wide range of tasks, modality combinations, and languages, (2) are generated via a deep thinking process within a single pass of a multimodal large language model, and (3) incorporate real-world images with accurate and relevant texts, ensuring fidelity through self-evaluation and refinement. Leveraging these high-quality synthetic and labeled datasets, we train a multimodal multilingual E5 model mmE5. Extensive experiments demonstrate that mmE5 achieves state-of-the-art performance on the MMEB Benchmark and superior multilingual performance on the XTD benchmark. Our codes, datasets and models are released in https://github.com/haon-chen/mmE5.

We consider minimizing functions for which it is expensive to compute the (possibly stochastic) gradient. Such functions are prevalent in reinforcement learning, imitation learning and adversarial training. Our target optimization framework uses the (expensive) gradient computation to construct surrogate functions in a target space (e.g. the logits output by a linear model for classification) that can be minimized efficiently. This allows for multiple parameter updates to the model, amortizing the cost of gradient computation. In the full-batch setting, we prove that our surrogate is a global upper-bound on the loss, and can be (locally) minimized using a black-box optimization algorithm. We prove that the resulting majorization-minimization algorithm ensures convergence to a stationary point of the loss. Next, we instantiate our framework in the stochastic setting and propose the SSO algorithm, which can be viewed as projected stochastic gradient descent in the target space. This connection enables us to prove theoretical guarantees for SSO when minimizing convex functions. Our framework allows the use of standard stochastic optimization algorithms to construct surrogates which can be minimized by any deterministic optimization method. To evaluate our framework, we consider a suite of supervised learning and imitation learning problems. Our experiments indicate the benefits of target optimization and the effectiveness of SSO.

Modern optimization in experimental chemistry employs algorithmic search through black-box parameter spaces. Here we demonstrate that pre-trained knowledge in large language models (LLMs) fundamentally changes this paradigm. Using six fully enumerated categorical reaction datasets (768 - 5,684 experiments), we benchmark LLM-guided optimization (LLM-GO) against Bayesian optimization (BO) and random sampling. Frontier LLMs consistently match or exceed BO performance across five single-objective datasets, with advantages growing as parameter complexity increases and high-performing conditions become scarce (<5% of space). BO retains superiority only for explicit multi-objective trade-offs. To understand these contrasting behaviors, we introduce a topology-agnostic information theory framework quantifying sampling diversity throughout optimization campaigns. This analysis reveals that LLMs maintain systematically higher exploration entropy than BO across all datasets while achieving superior performance, with advantages most pronounced in solution-scarce parameter spaces where high-entropy exploration typically fails - suggesting that pre-trained domain knowledge enables more effective navigation of chemical parameter space rather than replacing structured exploration strategies. To enable transparent benchmarking and community validation, we release Iron Mind (https://gomes.andrew.cmu.edu/iron-mind), a no-code platform for side-by-side evaluation of human, algorithmic, and LLM optimization campaigns with public leaderboards and complete trajectories. Our findings establish that LLM-GO excels precisely where traditional methods struggle: complex categorical spaces requiring domain understanding rather than mathematical optimization.

Simulation-free methods for training continuous-time generative models construct probability paths that go between noise distributions and individual data samples. Recent works, such as Flow Matching, derived paths that are optimal for each data sample. However, these algorithms rely on independent data and noise samples, and do not exploit underlying structure in the data distribution for constructing probability paths. We propose Multisample Flow Matching, a more general framework that uses non-trivial couplings between data and noise samples while satisfying the correct marginal constraints. At very small overhead costs, this generalization allows us to (i) reduce gradient variance during training, (ii) obtain straighter flows for the learned vector field, which allows us to generate high-quality samples using fewer function evaluations, and (iii) obtain transport maps with lower cost in high dimensions, which has applications beyond generative modeling. Importantly, we do so in a completely simulation-free manner with a simple minimization objective. We show that our proposed methods improve sample consistency on downsampled ImageNet data sets, and lead to better low-cost sample generation.

Diffusion models (DMs) have established themselves as the state-of-the-art generative modeling approach in the visual domain and beyond. A crucial drawback of DMs is their slow sampling speed, relying on many sequential function evaluations through large neural networks. Sampling from DMs can be seen as solving a differential equation through a discretized set of noise levels known as the sampling schedule. While past works primarily focused on deriving efficient solvers, little attention has been given to finding optimal sampling schedules, and the entire literature relies on hand-crafted heuristics. In this work, for the first time, we propose a general and principled approach to optimizing the sampling schedules of DMs for high-quality outputs, called Align Your Steps. We leverage methods from stochastic calculus and find optimal schedules specific to different solvers, trained DMs and datasets. We evaluate our novel approach on several image, video as well as 2D toy data synthesis benchmarks, using a variety of different samplers, and observe that our optimized schedules outperform previous hand-crafted schedules in almost all experiments. Our method demonstrates the untapped potential of sampling schedule optimization, especially in the few-step synthesis regime.

While diffusion models are powerful in generating high-quality, diverse synthetic data for object-centric tasks, existing methods struggle with scene-aware tasks such as Visual Question Answering (VQA) and Human-Object Interaction (HOI) Reasoning, where it is critical to preserve scene attributes in generated images consistent with a multimodal context, i.e. a reference image with accompanying text guidance query. To address this, we introduce Hummingbird, the first diffusion-based image generator which, given a multimodal context, generates highly diverse images w.r.t. the reference image while ensuring high fidelity by accurately preserving scene attributes, such as object interactions and spatial relationships from the text guidance. Hummingbird employs a novel Multimodal Context Evaluator that simultaneously optimizes our formulated Global Semantic and Fine-grained Consistency Rewards to ensure generated images preserve the scene attributes of reference images in relation to the text guidance while maintaining diversity. As the first model to address the task of maintaining both diversity and fidelity given a multimodal context, we introduce a new benchmark formulation incorporating MME Perception and Bongard HOI datasets. Benchmark experiments show Hummingbird outperforms all existing methods by achieving superior fidelity while maintaining diversity, validating Hummingbird's potential as a robust multimodal context-aligned image generator in complex visual tasks.

Customized generation aims to incorporate a novel concept into a pre-trained text-to-image model, enabling new generations of the concept in novel contexts guided by textual prompts. However, customized generation suffers from an inherent trade-off between concept fidelity and editability, i.e., between precisely modeling the concept and faithfully adhering to the prompts. Previous methods reluctantly seek a compromise and struggle to achieve both high concept fidelity and ideal prompt alignment simultaneously. In this paper, we propose a Divide, Conquer, then Integrate (DCI) framework, which performs a surgical adjustment in the early stage of denoising to liberate the fine-tuned model from the fidelity-editability trade-off at inference. The two conflicting components in the trade-off are decoupled and individually conquered by two collaborative branches, which are then selectively integrated to preserve high concept fidelity while achieving faithful prompt adherence. To obtain a better fine-tuned model, we introduce an Image-specific Context Optimization} (ICO) strategy for model customization. ICO replaces manual prompt templates with learnable image-specific contexts, providing an adaptive and precise fine-tuning direction to promote the overall performance. Extensive experiments demonstrate the effectiveness of our method in reconciling the fidelity-editability trade-off.

Standard mixed-precision training of neural networks requires many bytes of accelerator memory for each model parameter. These bytes reflect not just the parameter itself, but also its gradient and one or more optimizer state variables. With each of these values typically requiring 4 bytes, training even a 7 billion parameter model can be impractical for researchers with less than 100GB of accelerator memory. We introduce FlashOptim, a suite of optimizations that reduces per-parameter memory by over 50% while preserving model quality and API compatibility. Our approach introduces two key techniques. First, we improve master weight splitting by finding and exploiting a tight bound on its quantization error. Second, we design companding functions that greatly reduce the error in 8-bit optimizer state quantization. Together with 16-bit gradients, these techniques reduce AdamW memory from 16 bytes to 7 bytes per parameter, or 5 bytes with gradient release. They also cut model checkpoint sizes by more than half. Experiments with FlashOptim applied to SGD, AdamW, and Lion show no measurable quality degradation on any task from a collection of standard vision and language benchmarks, including Llama-3.1-8B finetuning.

One-Shot Neural Architecture Search (NAS) algorithms often rely on training a hardware agnostic super-network for a domain specific task. Optimal sub-networks are then extracted from the trained super-network for different hardware platforms. However, training super-networks from scratch can be extremely time consuming and compute intensive especially for large models that rely on a two-stage training process of pre-training and fine-tuning. State of the art pre-trained models are available for a wide range of tasks, but their large sizes significantly limits their applicability on various hardware platforms. We propose InstaTune, a method that leverages off-the-shelf pre-trained weights for large models and generates a super-network during the fine-tuning stage. InstaTune has multiple benefits. Firstly, since the process happens during fine-tuning, it minimizes the overall time and compute resources required for NAS. Secondly, the sub-networks extracted are optimized for the target task, unlike prior work that optimizes on the pre-training objective. Finally, InstaTune is easy to "plug and play" in existing frameworks. By using multi-objective evolutionary search algorithms along with lightly trained predictors, we find Pareto-optimal sub-networks that outperform their respective baselines across different performance objectives such as accuracy and MACs. Specifically, we demonstrate that our approach performs well across both unimodal (ViT and BERT) and multi-modal (BEiT-3) transformer based architectures.

We propose PROSE-FD, a zero-shot multimodal PDE foundational model for simultaneous prediction of heterogeneous two-dimensional physical systems related to distinct fluid dynamics settings. These systems include shallow water equations and the Navier-Stokes equations with incompressible and compressible flow, regular and complex geometries, and different buoyancy settings. This work presents a new transformer-based multi-operator learning approach that fuses symbolic information to perform operator-based data prediction, i.e. non-autoregressive. By incorporating multiple modalities in the inputs, the PDE foundation model builds in a pathway for including mathematical descriptions of the physical behavior. We pre-train our foundation model on 6 parametric families of equations collected from 13 datasets, including over 60K trajectories. Our model outperforms popular operator learning, computer vision, and multi-physics models, in benchmark forward prediction tasks. We test our architecture choices with ablation studies.