Outcome-driven reinforcement learning has advanced reasoning in large language models (LLMs), but prevailing tool-augmented approaches train a single, monolithic policy that interleaves thoughts and tool calls under full context; this scales poorly with long horizons and diverse tools and generalizes weakly to new scenarios. Agentic systems offer a promising alternative by decomposing work across specialized modules, yet most remain training-free or rely on offline training decoupled from the live dynamics of multi-turn interaction. We introduce AgentFlow, a trainable, *in-the-flow* agentic framework that coordinates four modules (planner, executor, verifier, generator) through an evolving memory and directly optimizes its planner inside the multi-turn loop. To train on-policy in live environments, we propose *Flow-based Group Refined Policy Optimization* (Flow-GRPO), which tackles long-horizon, sparse-reward credit assignment by converting multi-turn optimization into a sequence of tractable single-turn policy updates. It broadcasts a single, verifiable trajectory-level outcome to every turn to align local planner decisions with global success and stabilizes learning with group-normalized advantages. Across ten benchmarks, AgentFlow with a 7B-scale backbone outperforms top-performing baselines with average accuracy gains of 14.9% on search, 14.0% on agentic, 14.5% on mathematical, and 4.1% on scientific tasks, even surpassing larger proprietary models like GPT-4o. Further analyses confirm the benefits of in-the-flow optimization, showing improved planning, enhanced tool-calling reliability, and positive scaling with model size and reasoning turns.
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While embeddings from multimodal large language models (LLMs) excel as general-purpose representations, their application to dynamic modalities like audio and video remains underexplored. We introduce WAVE (\textbf{u}nified \& \textbf{v}ersatile \textbf{a}udio-\textbf{v}isual \textbf{e}mbeddings), the first LLM-based embedding that creates a unified representation space for text, audio, and video modalities. WAVE employs a novel hierarchical feature fusion strategy and a joint multi-modal, multi-task training approach to enable two key capabilities: any-to-any cross-modal retrieval and the generation of prompt-aware embeddings tailored to user instructions. Experimentally, WAVE sets a new state-of-the-art on the MMEB-v2 video benchmark and achieves superior results in audio and video-to-audio retrieval. Its prompt-aware nature also yields remarkable performance in multimodal question answering, significantly outperforming existing embedding models. Ablation studies validate our joint training strategy, demonstrating improved performance across all modalities. With a newly introduced benchmark for versatile audio-visual learning, WAVE opens up broad possibilities for cross-modal, any-to-any applications. Our code and checkpoints are released at \href{https://github.com/TCL606/WAVE}{https://github.com/TCL606/WAVE}.
General Machine Learning · Representation Learning
In the era of large foundation models, the quality of embeddings has become a central determinant of downstream task performance and overall system capability. Yet widely used dense embeddings are often extremely high-dimensional (e.g., 4096), incurring substantial costs in storage, memory, and inference latency. To address these, Contrastive Sparse Representation (CSR) is recently proposed as a promising direction, mapping dense embeddings into high-dimensional but $k$-sparse vectors, in contrast to compact dense embeddings such as Matryoshka Representation Learning (MRL). Despite its promise, CSR suffers severe degradation in the ultra-sparse regime (e.g., $k \leq 4$), where over 80\% of neurons remain inactive, leaving much of its efficiency potential unrealized. In this paper, we introduce CSRv2, a principled training approach designed to make ultra-sparse embeddings viable. CSRv2 stabilizes sparsity learning through progressive $k$-annealing, enhances representational quality via supervised contrastive objectives, and ensures end-to-end adaptability with full backbone finetuning. CSRv2 reduces dead neurons from 80\% to 20\% and delivers a 14\% accuracy gain at $k=2$, bringing ultra-sparse embeddings on par with CSR at $k=8$ and MRL at 32 dimensions, all with only two active features. While maintaining comparable performance, CSRv2 delivers a 7$\times$ speedup over MRL, and yields up to 300$\times$ improvements in compute and memory efficiency relative to dense embeddings in e5-mistral-7b-instruct-based text representation. Extensive experiments across text (MTEB, multiple state-of-the-art LLM embeddings (Qwen and e5-Mistral-7B), SPLADEv3, GraphRAG) and vision (ImageNet-1k) demonstrate that CSRv2 makes ultra-sparse embeddings practical without compromising performance, where CSRv2 achieves 7\%/4\% improvement over CSR when $k=4$ and further increases this gap to 14\%/6\% when $k=2$ in text/vision representation. By making extreme sparsity viable, CSRv2 broadens the design space for large-scale, real-time, and edge-deployable AI systems where both embedding quality and efficiency are critical. Code is available at https://github.com/Y-Research-SBU/CSRv2.
The Koopman operator provides a powerful framework for modeling dynamical systems and has attracted growing interest from the machine learning community. However, its infinite-dimensional nature makes identifying suitable finite-dimensional subspaces challenging, especially for deep architectures. We argue that these difficulties come from suboptimal representation learning, where latent variables fail to balance expressivity and simplicity. This tension is closely related to the information bottleneck (IB) dilemma: constructing compressed representations that are both compact and predictive. Rethinking Koopman learning through this lens, we demonstrate that latent mutual information promotes simplicity, yet an overemphasis on simplicity may cause latent space to collapse onto a few dominant modes. In contrast, expressiveness is sustained by the von Neumann entropy, which prevents such collapse and encourages mode diversity. This insight leads us to propose an information-theoretic Lagrangian formulation that explicitly balances this tradeoff. Furthermore, we propose a new algorithm based on the Lagrangian formulation that encourages both simplicity and expressiveness, leading to a stable and interpretable Koopman representation. Beyond quantitative evaluations, we further visualize the learned manifolds under our representations, observing empirical results consistent with our theoretical predictions. Finally, we validate our approach across a diverse range of dynamical systems, demonstrating improved performance over existing Koopman learning methods.
Realistic human geometry generation is an important yet challenging task, requiring both the preservation of fine clothing details and the accurate modeling of clothing-body interactions. To tackle this challenge, we build upon Geometry distributions—a recently proposed representation that can model a single human geometry with high fidelity using a flow matching model. However, extending a single-geometry distribution to a dataset is non-trivial and inefficient for large-scale learning. To address this, we propose a new geometry distribution model by two key techniques: (1) encoding distributions as 2D feature maps rather than network parameters, and (2) using SMPL models as the domain instead of Gaussian and refining the associated flow velocity field. We then design a generative framework adopting a two-staged training paradigm analogous to state-of-the-art image and 3D generative models. In the first stage, we compress geometry distributions into a latent space using a diffusion flow model; the second stage trains another flow model on this latent space. We validate our approach on two key tasks: pose-conditioned random avatar generation and avatar-consistent novel pose synthesis. Experimental results demonstrate that our method outperforms existing state-of-the-art methods, achieving a 57% improvement in geometry quality.
Applications · Neuroscience, Cognitive Science
Featurizing odorants to enable robust prediction of their properties is difficult due to the complex activation patterns that odorants evoke in the olfactory system. Structurally similar odorants can elicit distinct activation patterns in both the sensory periphery (i.e., at the receptor level) and downstream brain circuits (i.e., at a perceptual level). Despite efforts to design odorant features to better predict how they interact with the olfactory system, there is still no universally accepted approach to this problem. We demonstrate that feature-based approaches that rely on pre-trained foundation models to generate odorant representations $\textit{do not}$ significantly outperform classical hand-designed features on odorant-receptor binding tasks. Instead, we show that it is necessary to fine-tune these features to increase predictive performance. To show this, we introduce a new model that creates olfaction-specific representations: $\textbf{L}$oRA-based $\textbf{O}$dorant-$\textbf{R}$eceptor $\textbf{A}$ffinity prediction with $\textbf{CROSS}$-attention ($\textbf{LORAX}$). We compare existing chemical foundation model representations to hand-designed physicochemical descriptors using feature-based methods and identify large information overlap between these representations, highlighting the necessity of fine-tuning to generate novel and superior odorant representations. We show that LORAX produces a feature space more closely aligned with olfactory neural representation, enabling it to outperform existing models on predictive tasks.
General Machine Learning · Causality
Causal discovery with latent variables is a fundamental task. Yet most existing methods rely on strong structural assumptions, such as enforcing specific indicator patterns for latents or restricting how they can interact with others. We argue that a core obstacle to a general, structural-assumption-free approach is the lack of an equivalence characterization: without knowing what can be identified, one generally cannot design methods for how to identify it. In this work, we aim to close this gap for linear non-Gaussian models. We establish the graphical criterion for when two graphs with arbitrary latent structure and cycles are distributionally equivalent, that is, they induce the same observed distribution set. Key to our approach is a new tool, edge rank constraints, which fills a missing piece in the toolbox for latent-variable causal discovery in even broader settings. We further provide a procedure to traverse the whole equivalence class and develop an algorithm to recover models from data up to such equivalence. To our knowledge, this is the first equivalence characterization with latent variables in any parametric setting without structural assumptions, and hence the first structural-assumption-free discovery method. Code and an interactive demo are available at https://equiv.cc.
Theory · Probabilistic Methods
Large Language Models (LLMs) are increasingly employed in real-world applications, driving the need to evaluate the trustworthiness of their generated text. To this end, reliable uncertainty estimation is essential. Leading uncertainty estimation methods generate and analyze multiple output sequences, which is computationally expensive and impractical at scale. In this work, we inspect the theoretical foundations of these methods and explore new directions to enhance computational efficiency. Building on the framework of proper scoring rules, we find that the negative log-likelihood of the most likely output sequence constitutes a theoretically principled uncertainty measure. To approximate this alternative measure, we propose G-NLL, obtained using a single output sequence from greedy decoding. This approach streamlines uncertainty estimation while preserving theoretical rigor. Empirical results demonstrate that G-NLL achieves state-of-the-art performance across various scenarios. Our work lays the theoretical foundation for efficient and reliable uncertainty estimation in natural language generation, challenging the necessity of the prevalent methods that are more complex and resource-intensive.
The static "train then deploy" paradigm fundamentally limits Large Language Models (LLMs) from dynamically adapting their weights in response to continuous streams of new information inherent in real-world tasks. Test-Time Training (TTT) offers a compelling alternative by updating a subset of model parameters (fast weights) at inference time, yet its potential in the current LLM ecosystem is hindered by critical barriers including architectural incompatibility, computational inefficiency and misaligned fast weight objectives for language modeling. In this work, we introduce **In-Place Test-Time Training (In-Place TTT)**, a framework that seamlessly endows LLMs with Test-Time Training ability. In-Place TTT treats the final projection matrix of the ubiquitous MLP blocks as its adaptable fast weights, enabling a ``drop-in" enhancement for LLMs without costly retraining from scratch. Furthermore, we replace TTT's generic reconstruction objective with a tailored, theoretically-grounded objective explicitly aligned with the Next-Token-Prediction task governing autoregressive language modeling. This principled objective, combined with an efficient chunk-wise update mechanism, results in a highly scalable algorithm compatible with context parallelism. Extensive experiments validate our framework's effectiveness: as an in-place enhancement, it enables a 4B-parameter model to achieve superior performance on tasks with contexts up to 128k, and when pretrained from scratch, it consistently outperforms competitive TTT-related approaches. Ablation study results further provide deeper insights on our design choices. Collectively, our results establish In-Place TTT as a promising step towards a paradigm of continual learning in LLMs.
Optimization · Learning for Optimization
Dynamically configuring algorithm hyperparameters is a fundamental challenge in computational intelligence. While learning-based methods offer automation, they suffer from prohibitive sample complexity and poor generalization. We introduce AutoEP, a novel framework that bypasses training entirely by leveraging Large Language Models (LLMs) as zero-shot reasoning engines for algorithm control. AutoEP's core innovation lies in a tight synergy between two components: (1) an online Exploratory Landscape Analysis (ELA) module that provides real-time, quantitative feedback on the search dynamics, and (2) a multi-LLM reasoning chain that interprets this feedback to generate adaptive hyperparameter strategies. This approach grounds high-level reasoning in empirical data, mitigating hallucination. Evaluated on three distinct metaheuristics across diverse combinatorial optimization benchmarks, AutoEP consistently outperforms state-of-the-art tuners, including neural evolution and other LLM-based methods. Notably, our framework enables open-source models like Qwen3-30B to match the performance of GPT-4, demonstrating a powerful and accessible new paradigm for automated hyperparameter design.Our code is available at https://anonymous.4open.science/r/AutoEP-3E11.
Applications · Health
The growing demand for prenatal ultrasound imaging has intensified a global shortage of trained sonographers, creating barriers to essential fetal health monitoring. Deep learning has the potential to enhance sonographers' efficiency and support the training of new practitioners. Vision-Language Models (VLMs) are particularly promising for ultrasound interpretation, as they can jointly process images and text to perform multiple clinical tasks within a single framework. However, despite the expansion of VLMs, no standardized benchmark exists to evaluate their performance in fetal ultrasound imaging. This gap is primarily due to the modality’s challenging nature, operator dependency, and the limited public availability of datasets. To address this gap, we present Fetal-Gauge, the first and largest visual question answering benchmark specifically designed to evaluate VLMs across various fetal ultrasound tasks. Our benchmark comprises over 42,000 images and 93,000 question-answer pairs, spanning anatomical plane identification, visual grounding of anatomical structures, fetal orientation assessment, clinical view conformity, and clinical diagnosis. We systematically evaluate several state-of-the-art VLMs, including general-purpose and medical-specific models, and reveal a substantial performance gap: the best-performing model achieves only 55\% accuracy, far below clinical requirements. Our analysis identifies critical limitations of current VLMs in fetal ultrasound interpretation, highlighting the urgent need for domain-adapted architectures and specialized training approaches. Fetal-Gauge establishes a rigorous foundation for advancing multimodal deep learning in prenatal care and provides a pathway toward addressing global healthcare accessibility challenges. Our benchmark is publicly available at https://github.com/BioMedIA-MBZUAI/FETAL-GAUGE
Protein interaction modeling is central to protein design, which has been transformed by machine learning with applications in drug discovery and beyond. In this landscape, structure-based de novo binder design is cast as either conditional generative modeling or sequence optimization via structure predictors (``hallucination''). We argue that this is a false dichotomy and propose Proteina-Complexa, a novel fully atomistic binder generation method unifying both paradigms. We extend recent flow-based latent protein generation architectures and leverage the domain-domain interactions of monomeric computationally predicted protein structures to construct Teddymer, a new large-scale dataset of synthetic binder-target pairs for pretraining. Combined with high-quality experimental multimers, this enables training a strong base model. We then perform inference-time optimization with this generative prior, unifying the strengths of previously distinct generative and hallucination methods. Proteina-Complexa sets a new state of the art in computational binder design benchmarks: it delivers markedly higher in-silico success rates than existing generative approaches, and our novel test-time optimization strategies greatly outperform previous hallucination methods under normalized compute budgets. We also demonstrate interface hydrogen bond optimization, fold class-guided binder generation, and extensions to small molecule targets and enzyme design tasks, again surpassing prior methods. Code, models and new data will be publicly released.
Computer Vision · Image and Video Generation
Achieving streaming, fine-grained control over the outputs of autoregressive video diffusion models remains challenging, making it difficult to ensure that they consistently align with user expectations. To bridge this gap, we propose \textbf{stReaming drag-oriEnted interactiVe vidEo manipuLation (REVEL)}, a new task that enables users to modify generated videos \emph{anytime} on \emph{anything} via fine-grained, interactive drag. Beyond DragVideo and SG-I2V, REVEL unifies drag-style video manipulation as editing and animating video frames with both supporting user-specified translation, deformation, and rotation effects, making drag operations versatile. In resolving REVEL, we observe: \emph{i}) drag-induced perturbations accumulate in latent space, causing severe latent distribution drift that halts the drag process; \emph{ii}) streaming drag is easily disturbed by context frames, thereby yielding visually unnatural outcomes. We thus propose a training-free approach, \textbf{DragStream}, comprising: \emph{i}) an adaptive distribution self-rectification strategy that leverages neighboring frames' statistics to effectively constrain the drift of latent embeddings; \emph{ii}) a spatial-frequency selective optimization mechanism, allowing the model to fully exploit contextual information while mitigating its interference via selectively propagating visual cues along generation. Our method can be seamlessly integrated into existing autoregressive video diffusion models, and extensive experiments firmly demonstrate the effectiveness of our DragStream.
Applications · Chemistry and Drug Discovery
We introduce InVirtuoGen, a discrete flow generative model for fragmented SMILES for de novo and fragment-constrained generation, and target-property/lead optimization of small molecules. The model learns to transform a uniform source over all possible tokens into the data distribution. Unlike masked models, its training loss accounts for predictions on all sequence positions at every denoising step, shifting the generation paradigm from completion to refinement, and decoupling the number of sampling steps from the sequence length. For \textit{de novo} generation, InVirtuoGen achieves a stronger quality-diversity pareto frontier than prior fragment-based models and competitive performance on fragment-constrained tasks. For property and lead optimization, we propose a hybrid scheme that combines a genetic algorithm with a Proximal Property Optimization fine-tuning strategy adapted to discrete flows. Our approach sets a new state-of-the-art on the Practical Molecular Optimization benchmark, measured by top-10 AUC across tasks, and yields higher docking scores in lead optimization than previous baselines. InVirtuoGen thus establishes a versatile generative foundation for drug discovery, from early hit finding to multi-objective lead optimization. We further contribute to open science by releasing pretrained checkpoints and code, making our results fully reproducible.
Applications · Language, Speech and Dialog
Audio inpainting seeks to restore missing segments in degraded recordings. Previous diffusion-based methods exhibit impaired performance when the missing region is large. We introduce the first approach that applies discrete diffusion over tokenized music representations from a pre-trained audio tokenizer, enabling stable and semantically coherent restoration of long gaps. Our method further incorporates two training approaches: a derivative-based regularization loss that enforces smooth temporal dynamics, and a span-based absorbing transition that provides structured corruption during diffusion. Experiments on the MusicNet and MAESTRO datasets with gaps up to 750ms show that our approach consistently outperforms strong baselines across range of gap lengths, for gaps of 150ms and above. This work advances musical audio restoration and introduces new directions for discrete diffusion model training. Visit our project page for examples and code.
Computer Vision · Image and Video Generation
We present MeanCache, a training-free caching framework for efficient Flow Matching inference. Existing caching methods reduce redundant computation but typically rely on instantaneous velocity information (e.g., feature caching), which often leads to severe trajectory deviations and error accumulation under high acceleration ratios. MeanCache introduces an average-velocity perspective: by leveraging cached Jacobian--vector products (JVP) to construct interval average velocities from instantaneous velocities, it effectively mitigates local error accumulation. To further improve cache timing and JVP reuse stability, we develop a trajectory-stability scheduling strategy as a practical tool, employing a Peak-Suppressed Shortest Path under budget constraints to determine the schedule. Experiments on FLUX.1, Qwen-Image, and HunyuanVideo demonstrate that MeanCache achieves $4.12\times$, $4.56\times$, and $3.59\times$ acceleration, respectively, while consistently outperforming state-of-the-art caching baselines in generation quality. We believe this simple yet effective approach provides a new perspective for Flow Matching inference and will inspire further exploration of stability-driven acceleration in commercial-scale generative models.
Computer Vision · 3D Rendering & Reconstruction
Modeling wind-driven object dynamics from video observations is highly challenging due to the invisibility and spatio–temporal variability of wind, as well as the complex deformations of objects. We present DiffWind, a physics-informed differentiable framework that unifies wind–object interaction modeling, video-based reconstruction, and forward simulation. Specifically, we represent wind as a grid-based physical field and objects as particle systems derived from 3D Gaussian Splatting, with their interaction modeled by the Material Point Method (MPM). To recover wind-driven object dynamics, we introduce a reconstruction framework that jointly optimizes the spatio–temporal wind force field and object motion through differentiable rendering and simulation. To ensure physical validity, we incorporate the Lattice Boltzmann Method (LBM) as a physics-informed constraint, enforcing compliance with fluid dynamics laws. Beyond reconstruction, our method naturally supports forward simulation under novel wind conditions and enable new applications such as wind retargeting. We further introduce WD-Objects, a dataset of synthetic and real-world wind-driven scenes. Extensive experiments demonstrate that our method significantly outperforms prior dynamic scene modeling approaches in both reconstruction accuracy and simulation fidelity, opening a new avenue for video-based wind–object interaction modeling. The project page is available at: [https://zju3dv.github.io/DiffWind/](https://zju3dv.github.io/DiffWind/).
Computer Vision · Image and Video Generation
The rapid development of visual generative models raises the need for more scalable and human-aligned evaluation methods. While the crowdsourced Arena platforms offer human preference assessments by collecting human votes, they are costly and time-consuming, inherently limiting their scalability. Leveraging vision-language model (VLMs) as substitutes for manual judgments presents a promising solution. However, the inherent hallucinations and biases of VLMs hinder alignment with human preferences, thus compromising evaluation reliability. Additionally, the static evaluation approach lead to low efficiency. In this paper, we propose K-Sort Eval, a reliable and efficient VLM-based evaluation framework that integrates posterior correction and dynamic matching. Specifically, we curate a high-quality dataset from thousands of human votes in K-Sort Arena, with each instance containing the outputs and rankings of K models. When evaluating a new model, it undergoes (K+1)-wise free-for-all comparisons with existing models, and the VLM provide the rankings. To enhance alignment and reliability, we propose a posterior correction method, which adaptively corrects the posterior probability in Bayesian updating based on the consistency between the VLM prediction and human supervision. Moreover, we propose a dynamic matching strategy, which balances uncertainty and diversity to maximize the expected benefit of each comparison, thus ensuring more efficient evaluation. Extensive experiments show that K-Sort Eval delivers evaluation results consistent with K-Sort Arena, typically requiring fewer than 90 model runs, demonstrating both its efficiency and reliability. The dataset and code are publicly available.
Computer Vision · Vision Models & Multimodal
Creative generation is the synthesis of new, surprising, and valuable samples that reflect user intent yet cannot be envisioned in advance. This task aims to extend human imagination, enabling the discovery of visual concepts that exist in the unexplored spaces between familiar domains. While text-to-image diffusion models excel at rendering photorealistic scenes that faithfully match user prompts, they still struggle to generate genuinely novel content. Existing approaches to enhance generative creativity either rely on interpolation of image features, which restricts exploration to predefined categories, or require time-intensive procedures such as embedding optimization or model fine-tuning. We propose VLM-Guided Adaptive Negative-Prompting, a training-free, inference-time method that promotes creative image generation while preserving the validity of the generated object. Our approach utilizes a vision-language model (VLM) that analyzes intermediate outputs of the generation process and adaptively steers it away from conventional visual concepts, encouraging the emergence of novel and surprising outputs. We evaluate creativity through both novelty and validity, using statistical metrics in the CLIP embedding space. Through extensive experiments, we show consistent gains in creative novelty with negligible computational overhead. Moreover, unlike existing methods that primarily generate single objects, our approach extends to complex scenarios, such as generating coherent sets of creative objects and preserving creativity within elaborate compositional prompts. Our method integrates seamlessly into existing diffusion pipelines, offering a practical route to producing creative outputs that venture beyond the constraints of textual descriptions.
Deep Learning · Robustness
Uncertainty quantification (UQ) is essential for deploying deep neural networks in safety-critical settings. Although methods like Deep Ensembles achieve strong UQ performance, their high computational and memory costs hinder scalability to large models. We introduce Hydra Ensembles, an efficient transformer-based ensemble that prunes attention heads to create diverse members and merges them via a new multi-head attention with grouped fully-connected layers. This yields a compact model with inference speed close to a single network, matching or surpassing Deep Ensembles in UQ performance without retraining from scratch. We also provide an in-depth analysis of pruning, showing that naive approaches can harm calibration, whereas Hydra Ensembles preserves robust uncertainty. Experiments on image and text classification tasks, with various architectures, show consistent gains over Deep Ensembles. Remarkably, in zero-shot classification on ImageNet-1k, our approach surpasses state of the art methods, even without requiring additional training.