Daily Papers

Non-autoregressive text-to-speech (NAR-TTS) models such as FastSpeech 2 and Glow-TTS can synthesize high-quality speech from the given text in parallel. After analyzing two kinds of generative NAR-TTS models (VAE and normalizing flow), we find that: VAE is good at capturing the long-range semantics features (e.g., prosody) even with small model size but suffers from blurry and unnatural results; and normalizing flow is good at reconstructing the frequency bin-wise details but performs poorly when the number of model parameters is limited. Inspired by these observations, to generate diverse speech with natural details and rich prosody using a lightweight architecture, we propose PortaSpeech, a portable and high-quality generative text-to-speech model. Specifically, 1) to model both the prosody and mel-spectrogram details accurately, we adopt a lightweight VAE with an enhanced prior followed by a flow-based post-net with strong conditional inputs as the main architecture. 2) To further compress the model size and memory footprint, we introduce the grouped parameter sharing mechanism to the affine coupling layers in the post-net. 3) To improve the expressiveness of synthesized speech and reduce the dependency on accurate fine-grained alignment between text and speech, we propose a linguistic encoder with mixture alignment combining hard inter-word alignment and soft intra-word alignment, which explicitly extracts word-level semantic information. Experimental results show that PortaSpeech outperforms other TTS models in both voice quality and prosody modeling in terms of subjective and objective evaluation metrics, and shows only a slight performance degradation when reducing the model parameters to 6.7M (about 4x model size and 3x runtime memory compression ratio compared with FastSpeech 2). Our extensive ablation studies demonstrate that each design in PortaSpeech is effective.

Recent advances in artificial intelligence (AI) have produced highly capable and controllable systems. This creates unprecedented opportunities for structured reasoning as well as collaboration among multiple AI systems and humans. To fully realize this potential, it is essential to develop a principled way of designing and studying such structured interactions. For this purpose, we introduce the conceptual framework of Flows: a systematic approach to modeling complex interactions. Flows are self-contained building blocks of computation, with an isolated state, communicating through a standardized message-based interface. This modular design allows Flows to be recursively composed into arbitrarily nested interactions, with a substantial reduction of complexity. Crucially, any interaction can be implemented using this framework, including prior work on AI--AI and human--AI interactions, prompt engineering schemes, and tool augmentation. We demonstrate the potential of Flows on the task of competitive coding, a challenging task on which even GPT-4 struggles. Our results suggest that structured reasoning and collaboration substantially improve generalization, with AI-only Flows adding +21 and human--AI Flows adding +54 absolute points in terms of solve rate. To support rapid and rigorous research, we introduce the aiFlows library. The library comes with a repository of Flows that can be easily used, extended, and composed into novel, more complex Flows. The aiFlows library is available at https://github.com/epfl-dlab/aiflows. Data and Flows for reproducing our experiments are available at https://github.com/epfl-dlab/cc_flows.

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

Neural Temporal Point Processes (TPPs) are the prevalent paradigm for modeling continuous-time event sequences, such as user activities on the web and financial transactions. In real-world applications, event data is typically received in a streaming manner, where the distribution of patterns may shift over time. Additionally, privacy and memory constraints are commonly observed in practical scenarios, further compounding the challenges. Therefore, the continuous monitoring of a TPP to learn the streaming event sequence is an important yet under-explored problem. Our work paper addresses this challenge by adopting Continual Learning (CL), which makes the model capable of continuously learning a sequence of tasks without catastrophic forgetting under realistic constraints. Correspondingly, we propose a simple yet effective framework, PromptTPPOur code is available at {\small \url{ https://github.com/yanyanSann/PromptTPP}}, by integrating the base TPP with a continuous-time retrieval prompt pool. The prompts, small learnable parameters, are stored in a memory space and jointly optimized with the base TPP, ensuring that the model learns event streams sequentially without buffering past examples or task-specific attributes. We present a novel and realistic experimental setup for modeling event streams, where PromptTPP consistently achieves state-of-the-art performance across three real user behavior datasets.

Graph representations of programs are commonly a central element of machine learning for code research. We introduce an open source Python library python_graphs that applies static analysis to construct graph representations of Python programs suitable for training machine learning models. Our library admits the construction of control-flow graphs, data-flow graphs, and composite ``program graphs'' that combine control-flow, data-flow, syntactic, and lexical information about a program. We present the capabilities and limitations of the library, perform a case study applying the library to millions of competitive programming submissions, and showcase the library's utility for machine learning research.

Few-step diffusion or flow-based generative models typically distill a velocity-predicting teacher into a student that predicts a shortcut towards denoised data. This format mismatch has led to complex distillation procedures that often suffer from a quality-diversity trade-off. To address this, we propose policy-based flow models (pi-Flow). pi-Flow modifies the output layer of a student flow model to predict a network-free policy at one timestep. The policy then produces dynamic flow velocities at future substeps with negligible overhead, enabling fast and accurate ODE integration on these substeps without extra network evaluations. To match the policy's ODE trajectory to the teacher's, we introduce a novel imitation distillation approach, which matches the policy's velocity to the teacher's along the policy's trajectory using a standard ell_2 flow matching loss. By simply mimicking the teacher's behavior, pi-Flow enables stable and scalable training and avoids the quality-diversity trade-off. On ImageNet 256^2, it attains a 1-NFE FID of 2.85, outperforming MeanFlow of the same DiT architecture. On FLUX.1-12B and Qwen-Image-20B at 4 NFEs, pi-Flow achieves substantially better diversity than state-of-the-art few-step methods, while maintaining teacher-level quality.

Neural processes (NPs) are a class of models that learn stochastic processes directly from data and can be used for inference, sampling and conditional sampling. We introduce a new NP model based on flow matching, a generative modeling paradigm that has demonstrated strong performance on various data modalities. Following the NP training framework, the model provides amortized predictions of conditional distributions over any arbitrary points in the data. Compared to previous NP models, our model is simple to implement and can be used to sample from conditional distributions using an ODE solver, without requiring auxiliary conditioning methods. In addition, the model provides a controllable tradeoff between accuracy and running time via the number of steps in the ODE solver. We show that our model outperforms previous state-of-the-art neural process methods on various benchmarks including synthetic 1D Gaussian processes data, 2D images, and real-world weather data.

Generative flow networks (GFlowNets) are sequential sampling models trained to match a given distribution. GFlowNets have been successfully applied to various structured object generation tasks, sampling a diverse set of high-reward objects quickly. We propose expected flow networks (EFlowNets), which extend GFlowNets to stochastic environments. We show that EFlowNets outperform other GFlowNet formulations in stochastic tasks such as protein design. We then extend the concept of EFlowNets to adversarial environments, proposing adversarial flow networks (AFlowNets) for two-player zero-sum games. We show that AFlowNets learn to find above 80% of optimal moves in Connect-4 via self-play and outperform AlphaZero in tournaments.

Large language model (LLM)-based systems are becoming increasingly popular for solving tasks by constructing executable workflows that interleave LLM calls, information retrieval, tool use, code execution, memory updates, and verification. This survey reviews recent methods for designing and optimizing such workflows, which we treat as agentic computation graphs (ACGs). We organize the literature based on when workflow structure is determined, where structure refers to which components or agents are present, how they depend on each other, and how information flows between them. This lens distinguishes static methods, which fix a reusable workflow scaffold before deployment, from dynamic methods, which select, generate, or revise the workflow for a particular run before or during execution. We further organize prior work along three dimensions: when structure is determined, what part of the workflow is optimized, and which evaluation signals guide optimization (e.g., task metrics, verifier signals, preferences, or trace-derived feedback). We also distinguish reusable workflow templates, run-specific realized graphs, and execution traces, separating reusable design choices from the structures actually deployed in a given run and from realized runtime behavior. Finally, we outline a structure-aware evaluation perspective that complements downstream task metrics with graph-level properties, execution cost, robustness, and structural variation across inputs. Our goal is to provide a clear vocabulary, a unified framework for positioning new methods, a more comparable view of existing body of literature, and a more reproducible evaluation standard for future work in workflow optimizations for LLM agents.

Generative Flow Networks (GFlowNets) are amortized sampling methods that learn a distribution over discrete objects proportional to their rewards. GFlowNets exhibit a remarkable ability to generate diverse samples, yet occasionally struggle to consistently produce samples with high rewards due to over-exploration on wide sample space. This paper proposes to train GFlowNets with local search, which focuses on exploiting high-rewarded sample space to resolve this issue. Our main idea is to explore the local neighborhood via backtracking and reconstruction guided by backward and forward policies, respectively. This allows biasing the samples toward high-reward solutions, which is not possible for a typical GFlowNet solution generation scheme, which uses the forward policy to generate the solution from scratch. Extensive experiments demonstrate a remarkable performance improvement in several biochemical tasks. Source code is available: https://github.com/dbsxodud-11/ls_gfn.

Large language models (LLMs) have demonstrated remarkable potential in solving complex tasks across diverse domains, typically by employing agentic workflows that follow detailed instructions and operational sequences. However, constructing these workflows requires significant human effort, limiting scalability and generalizability. Recent research has sought to automate the generation and optimization of these workflows, but existing methods still rely on initial manual setup and fall short of achieving fully automated and effective workflow generation. To address this challenge, we reformulate workflow optimization as a search problem over code-represented workflows, where LLM-invoking nodes are connected by edges. We introduce AFlow, an automated framework that efficiently explores this space using Monte Carlo Tree Search, iteratively refining workflows through code modification, tree-structured experience, and execution feedback. Empirical evaluations across six benchmark datasets demonstrate AFlow's efficacy, yielding a 5.7% average improvement over state-of-the-art baselines. Furthermore, AFlow enables smaller models to outperform GPT-4o on specific tasks at 4.55% of its inference cost in dollars. The code will be available at https://github.com/geekan/MetaGPT.

Reinforcement learning (RL) has become a pivotal technology in the post-training phase of large language models (LLMs). Traditional task-colocated RL frameworks suffer from significant scalability bottlenecks, while task-separated RL frameworks face challenges in complex dataflows and the corresponding resource idling and workload imbalance. Moreover, most existing frameworks are tightly coupled with LLM training or inference engines, making it difficult to support custom-designed engines. To address these challenges, we propose AsyncFlow, an asynchronous streaming RL framework for efficient post-training. Specifically, we introduce a distributed data storage and transfer module that provides a unified data management and fine-grained scheduling capability in a fully streamed manner. This architecture inherently facilitates automated pipeline overlapping among RL tasks and dynamic load balancing. Moreover, we propose a producer-consumer-based asynchronous workflow engineered to minimize computational idleness by strategically deferring parameter update process within staleness thresholds. Finally, the core capability of AsynFlow is architecturally decoupled from underlying training and inference engines and encapsulated by service-oriented user interfaces, offering a modular and customizable user experience. Extensive experiments demonstrate an average of 1.59 throughput improvement compared with state-of-the-art baseline. The presented architecture in this work provides actionable insights for next-generation RL training system designs.

Generative flow networks (GFlowNets) are amortized variational inference algorithms that are trained to sample from unnormalized target distributions over compositional objects. A key limitation of GFlowNets until this time has been that they are restricted to discrete spaces. We present a theory for generalized GFlowNets, which encompasses both existing discrete GFlowNets and ones with continuous or hybrid state spaces, and perform experiments with two goals in mind. First, we illustrate critical points of the theory and the importance of various assumptions. Second, we empirically demonstrate how observations about discrete GFlowNets transfer to the continuous case and show strong results compared to non-GFlowNet baselines on several previously studied tasks. This work greatly widens the perspectives for the application of GFlowNets in probabilistic inference and various modeling settings.

Network pruning, aimed at reducing network size while preserving accuracy, has attracted significant research interest. Numerous pruning techniques have been proposed over time. They are becoming increasingly effective, but more complex and harder to interpret as well. Given the inherent complexity of neural networks, we argue that manually designing pruning criteria has reached a bottleneck. To address this, we propose a novel approach in which we "use a neural network to prune neural networks". More specifically, we introduce the newly developed idea of metanetwork from meta-learning into pruning. A metanetwork is a network that takes another network as input and produces a modified network as output. In this paper, we first establish a bijective mapping between neural networks and graphs, and then employ a graph neural network as our metanetwork. We train a metanetwork that learns the pruning strategy automatically which can transform a network that is hard to prune into another network that is much easier to prune. Once the metanetwork is trained, our pruning needs nothing more than a feedforward through the metanetwork and the standard finetuning to prune at state-of-the-art. Our method achieved outstanding results on many popular and representative pruning tasks (including ResNet56 on CIFAR10, VGG19 on CIFAR100, ResNet50 on ImageNet). Our code is available at https://github.com/Yewei-Liu/MetaPruning

Temporal point processes are the dominant paradigm for modeling sequences of events happening at irregular intervals. The standard way of learning in such models is by estimating the conditional intensity function. However, parameterizing the intensity function usually incurs several trade-offs. We show how to overcome the limitations of intensity-based approaches by directly modeling the conditional distribution of inter-event times. We draw on the literature on normalizing flows to design models that are flexible and efficient. We additionally propose a simple mixture model that matches the flexibility of flow-based models, but also permits sampling and computing moments in closed form. The proposed models achieve state-of-the-art performance in standard prediction tasks and are suitable for novel applications, such as learning sequence embeddings and imputing missing data.

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

We consider the problem of embedding point cloud data sampled from an underlying manifold with an associated flow or velocity. Such data arises in many contexts where static snapshots of dynamic entities are measured, including in high-throughput biology such as single-cell transcriptomics. Existing embedding techniques either do not utilize velocity information or embed the coordinates and velocities independently, i.e., they either impose velocities on top of an existing point embedding or embed points within a prescribed vector field. Here we present FlowArtist, a neural network that embeds points while jointly learning a vector field around the points. The combination allows FlowArtist to better separate and visualize velocity-informed structures. Our results, on toy datasets and single-cell RNA velocity data, illustrate the value of utilizing coordinate and velocity information in tandem for embedding and visualizing high-dimensional data.

Large language model (LLM)-based agents are widely deployed in user-facing services but remain error-prone in new tasks, tend to repeat the same failure patterns, and show substantial run-to-run variability. Fixing failures via environment-specific training or manual patching is costly and hard to scale. To enable self-evolving agents in user-facing service environments, we propose WISE-Flow, a workflow-centric framework that converts historical service interactions into reusable procedural experience by inducing workflows with prerequisite-augmented action blocks. At deployment, WISE-Flow aligns the agent's execution trajectory to retrieved workflows and performs prerequisite-aware feasibility reasoning to achieve state-grounded next actions. Experiments on ToolSandbox and τ^2-bench show consistent improvement across base models.

We present a formulation of flow matching as variational inference, which we refer to as variational flow matching (VFM). Based on this formulation we develop CatFlow, a flow matching method for categorical data. CatFlow is easy to implement, computationally efficient, and achieves strong results on graph generation tasks. In VFM, the objective is to approximate the posterior probability path, which is a distribution over possible end points of a trajectory. We show that VFM admits both the CatFlow objective and the original flow matching objective as special cases. We also relate VFM to score-based models, in which the dynamics are stochastic rather than deterministic, and derive a bound on the model likelihood based on a reweighted VFM objective. We evaluate CatFlow on one abstract graph generation task and two molecular generation tasks. In all cases, CatFlow exceeds or matches performance of the current state-of-the-art models.

We propose continuous adversarial flow models, a type of continuous-time flow model trained with an adversarial objective. Unlike flow matching, which uses a fixed mean-squared-error criterion, our approach introduces a learned discriminator to guide training. This change in objective induces a different generalized distribution, which empirically produces samples that are better aligned with the target data distribution. Our method is primarily proposed for post-training existing flow-matching models, although it can also train models from scratch. On the ImageNet 256px generation task, our post-training substantially improves the guidance-free FID of latent-space SiT from 8.26 to 3.63 and of pixel-space JiT from 7.17 to 3.57. It also improves guided generation, reducing FID from 2.06 to 1.53 for SiT and from 1.86 to 1.80 for JiT. We further evaluate our approach on text-to-image generation, where it achieves improved results on both the GenEval and DPG benchmarks.

Synthetic data has become increasingly important for training large language models, especially when real data is scarce, expensive, or privacy-sensitive. Many such generation tasks require coordinated multi-agent workflows, where specialized agents collaborate to produce data that is higher quality, more diverse, and structurally richer. However, existing frameworks for multi-agent synthesis often depend on a centralized orchestrator, creating scalability bottlenecks, or are hardcoded for specific domains, limiting flexibility. We present Matrix, a decentralized framework that represents both control and data flow as serialized messages passed through distributed queues. This peer-to-peer design eliminates the central orchestrator. Each task progresses independently through lightweight agents, while compute-intensive operations, such as LLM inference or containerized environments, are handled by distributed services. Built on Ray, Matrix scales to tens of thousands of concurrent agentic workflows and provides a modular, configurable design that enables easy adaptation to a wide range of data generation workflows. We evaluate Matrix across diverse synthesis scenarios, such as multi-agent collaborative dialogue, web-based reasoning data extraction, and tool-use trajectory generation in customer service environments. In all cases, Matrix achieves 2--15times higher data generation throughput under identical hardware resources, without compromising output quality.

Business process automation (BPA) that leverages Large Language Models (LLMs) to convert natural language (NL) instructions into structured business process artifacts is becoming a hot research topic. This paper makes two technical contributions -- (i) FLOW-BENCH, a high quality dataset of paired natural language instructions and structured business process definitions to evaluate NL-based BPA tools, and support bourgeoning research in this area, and (ii) FLOW-GEN, our approach to utilize LLMs to translate natural language into an intermediate representation with Python syntax that facilitates final conversion into widely adopted business process definition languages, such as BPMN and DMN. We bootstrap FLOW-BENCH by demonstrating how it can be used to evaluate the components of FLOW-GEN across eight LLMs of varying sizes. We hope that FLOW-GEN and FLOW-BENCH catalyze further research in BPA making it more accessible to novice and expert users.

Although Large Vision-Language Models (LVLMs) have achieved impressive results, their high computational cost poses a significant barrier to wider application. To enhance inference efficiency, most existing approaches depend on parameter-dependent or token-dependent strategies to reduce computational demands. However, these methods typically require complex training processes and struggle to consistently select the most relevant tokens. In this paper, we systematically analyze the above challenges and provide a series of valuable insights for inference acceleration. Based on these findings, we propose a novel framework, the Pruning All-Rounder (PAR). Different from previous works, PAR develops a meta-router to adaptively organize pruning flows across both tokens and layers. With a self-supervised learning manner, our method achieves a superior balance between performance and efficiency. Notably, PAR is highly flexible, offering multiple pruning versions to address a range of pruning scenarios. The code for this work will be made publicly available.

Combinatorial optimization (CO) problems are often NP-hard and thus out of reach for exact algorithms, making them a tempting domain to apply machine learning methods. The highly structured constraints in these problems can hinder either optimization or sampling directly in the solution space. On the other hand, GFlowNets have recently emerged as a powerful machinery to efficiently sample from composite unnormalized densities sequentially and have the potential to amortize such solution-searching processes in CO, as well as generate diverse solution candidates. In this paper, we design Markov decision processes (MDPs) for different combinatorial problems and propose to train conditional GFlowNets to sample from the solution space. Efficient training techniques are also developed to benefit long-range credit assignment. Through extensive experiments on a variety of different CO tasks with synthetic and realistic data, we demonstrate that GFlowNet policies can efficiently find high-quality solutions.

Generative flow networks (GFlowNets) are a method for learning a stochastic policy for generating compositional objects, such as graphs or strings, from a given unnormalized density by sequences of actions, where many possible action sequences may lead to the same object. We find previously proposed learning objectives for GFlowNets, flow matching and detailed balance, which are analogous to temporal difference learning, to be prone to inefficient credit propagation across long action sequences. We thus propose a new learning objective for GFlowNets, trajectory balance, as a more efficient alternative to previously used objectives. We prove that any global minimizer of the trajectory balance objective can define a policy that samples exactly from the target distribution. In experiments on four distinct domains, we empirically demonstrate the benefits of the trajectory balance objective for GFlowNet convergence, diversity of generated samples, and robustness to long action sequences and large action spaces.

Supervised learning usually requires a large amount of labelled data. However, attaining ground-truth labels is costly for many tasks. Alternatively, weakly supervised methods learn with cheap weak signals that only approximately label some data. Many existing weakly supervised learning methods learn a deterministic function that estimates labels given the input data and weak signals. In this paper, we develop label learning flows (LLF), a general framework for weakly supervised learning problems. Our method is a generative model based on normalizing flows. The main idea of LLF is to optimize the conditional likelihoods of all possible labelings of the data within a constrained space defined by weak signals. We develop a training method for LLF that trains the conditional flow inversely and avoids estimating the labels. Once a model is trained, we can make predictions with a sampling algorithm. We apply LLF to three weakly supervised learning problems. Experiment results show that our method outperforms many baselines we compare against.

Recent advancements in large language models (LLMs) and their multimodal variants have led to remarkable progress across various domains, demonstrating impressive capabilities and unprecedented potential. In the era of ubiquitous connectivity, leveraging communication networks to distribute intelligence is a transformative concept, envisioning AI-powered services accessible at the network edge. However, pushing large models from the cloud to resource-constrained environments faces critical challenges. Model inference on low-end devices leads to excessive latency and performance bottlenecks, while raw data transmission over limited bandwidth networks causes high communication overhead. This article presents AI Flow, a framework that streamlines the inference process by jointly leveraging the heterogeneous resources available across devices, edge nodes, and cloud servers, making intelligence flow across networks. To facilitate cooperation among multiple computational nodes, the proposed framework explores a paradigm shift in the design of communication network systems from transmitting information flow to intelligence flow, where the goal of communications is task-oriented and folded into the inference process. Experimental results demonstrate the effectiveness of the proposed framework through an image captioning use case, showcasing the ability to reduce response latency while maintaining high-quality captions. This article serves as a position paper for identifying the motivation, challenges, and principles of AI Flow.

Text-to-SQL has recently achieved impressive progress, yet remains difficult to apply effectively in real-world scenarios. This gap stems from the reliance on single static workflows, fundamentally limiting scalability to out-of-distribution and long-tail scenarios. Instead of requiring users to select suitable methods through extensive experimentation, we attempt to enable systems to adaptively construct workflows at inference time. Through theoretical and empirical analysis, we demonstrate that optimal dynamic policies consistently outperform the best static workflow, with performance gains fundamentally driven by heterogeneity across candidate workflows. Motivated by this, we propose SquRL, a reinforcement learning framework that enhances LLMs' reasoning capability in adaptive workflow construction. We design a rule-based reward function and introduce two effective training mechanisms: dynamic actor masking to encourage broader exploration, and pseudo rewards to improve training efficiency. Experiments on widely-used Text-to-SQL benchmarks demonstrate that dynamic workflow construction consistently outperforms the best static workflow methods, with especially pronounced gains on complex and out-of-distribution queries. The codes are available at https://github.com/Satissss/SquRL

Stream networks, a unique class of spatiotemporal graphs, exhibit complex directional flow constraints and evolving dependencies, making uncertainty quantification a critical yet challenging task. Traditional conformal prediction methods struggle in this setting due to the need for joint predictions across multiple interdependent locations and the intricate spatio-temporal dependencies inherent in stream networks. Existing approaches either neglect dependencies, leading to overly conservative predictions, or rely solely on data-driven estimations, failing to capture the rich topological structure of the network. To address these challenges, we propose Spatio-Temporal Adaptive Conformal Inference (STACI), a novel framework that integrates network topology and temporal dynamics into the conformal prediction framework. STACI introduces a topology-aware nonconformity score that respects directional flow constraints and dynamically adjusts prediction sets to account for temporal distributional shifts. We provide theoretical guarantees on the validity of our approach and demonstrate its superior performance on both synthetic and real-world datasets. Our results show that STACI effectively balances prediction efficiency and coverage, outperforming existing conformal prediction methods for stream networks.

LLM post-training involves many diverse datasets, each targeting a specific behavior. But these datasets encode incidental patterns alongside intended ones: correlations between formatting and content, narrow phrasings across diverse problems, and implicit associations arising from the discrete data curation process. These patterns are often invisible to developers yet salient to models, producing behaviors that surprise their creators, such as rejecting true facts presented in a particular question format. We call this chunky post-training: the model learns spurious correlations as a result of distinct chunks of post-training data. We introduce SURF, a black-box pipeline which surfaces these unintended behaviors at run time, and TURF, a tool that traces these failures back to specific post-training data. Applying these tools to frontier models (Claude 4.5, GPT-5.1, Grok 4.1, Gemini 3) and open models (Tülu 3), we show that chunky post-training produces miscalibrated behaviors, which often result from imbalanced or underspecified chunks of post-training data.

Weight sharing promises to make neural architecture search (NAS) tractable even on commodity hardware. Existing methods in this space rely on a diverse set of heuristics to design and train the shared-weight backbone network, a.k.a. the super-net. Since heuristics and hyperparameters substantially vary across different methods, a fair comparison between them can only be achieved by systematically analyzing the influence of these factors. In this paper, we therefore provide a systematic evaluation of the heuristics and hyperparameters that are frequently employed by weight-sharing NAS algorithms. Our analysis uncovers that some commonly-used heuristics for super-net training negatively impact the correlation between super-net and stand-alone performance, and evidences the strong influence of certain hyperparameters and architectural choices. Our code and experiments set a strong and reproducible baseline that future works can build on.

Normalizing Flows (NFs) have been established as a principled framework for generative modeling. Standard NFs consist of a forward process and a reverse process: the forward process maps data to noise, while the reverse process generates samples by inverting it. Typical NF forward transformations are constrained by explicit invertibility, ensuring that the reverse process can serve as their exact analytic inverse. Recent developments in TARFlow and its variants have revitalized NF methods by combining Transformers and autoregressive flows, but have also exposed causal decoding as a major bottleneck. In this work, we introduce Bidirectional Normalizing Flow (BiFlow), a framework that removes the need for an exact analytic inverse. BiFlow learns a reverse model that approximates the underlying noise-to-data inverse mapping, enabling more flexible loss functions and architectures. Experiments on ImageNet demonstrate that BiFlow, compared to its causal decoding counterpart, improves generation quality while accelerating sampling by up to two orders of magnitude. BiFlow yields state-of-the-art results among NF-based methods and competitive performance among single-evaluation ("1-NFE") methods. Following recent encouraging progress on NFs, we hope our work will draw further attention to this classical paradigm.

Automatic workflow generation is the process of automatically synthesizing sequences of LLM calls, tool invocations, and post-processing steps for complex end-to-end tasks. Most prior methods cast this task as an optimization problem with limited theoretical grounding. We propose to cast workflow generation as Bayesian inference over a posterior distribution on workflows, and introduce Bayesian Workflow Generation (BWG), a sampling framework that builds workflows step-by-step using parallel look-ahead rollouts for importance weighting and a sequential in-loop refiner for pool-wide improvements. We prove that, without the refiner, the weighted empirical distribution converges to the target posterior. We instantiate BWG as BayesFlow, a training-free algorithm for workflow construction. Across six benchmark datasets, BayesFlow improves accuracy by up to 9 percentage points over SOTA workflow generation baselines and by up to 65 percentage points over zero-shot prompting, establishing BWG as a principled upgrade to search-based workflow design. Code will be available on https://github.com/BoYuanVisionary/BayesFlow.

We study a class of optimization problems motivated by automating the design and update of AI systems like coding assistants, robots, and copilots. We propose an end-to-end optimization framework, Trace, which treats the computational workflow of an AI system as a graph akin to neural networks, based on a generalization of back-propagation. Optimization of computational workflows often involves rich feedback (e.g. console output or user's responses), heterogeneous parameters (e.g. prompts, hyper-parameters, codes), and intricate objectives (beyond maximizing a score). Moreover, its computation graph can change dynamically with the inputs and parameters. We frame a new mathematical setup of iterative optimization, Optimization with Trace Oracle (OPTO), to capture and abstract these properties so as to design optimizers that work across many domains. In OPTO, an optimizer receives an execution trace along with feedback on the computed output and updates parameters iteratively. Trace is the tool to implement OPTO in practice. Trace has a Python interface that efficiently converts a computational workflow into an OPTO instance using a PyTorch-like interface. Using Trace, we develop a general-purpose LLM-based optimizer called OptoPrime that can effectively solve OPTO problems. In empirical studies, we find that OptoPrime is capable of first-order numerical optimization, prompt optimization, hyper-parameter tuning, robot controller design, code debugging, etc., and is often competitive with specialized optimizers for each domain. We believe that Trace, OptoPrime and the OPTO framework will enable the next generation of interactive agents that automatically adapt using various kinds of feedback. Website: https://microsoft.github.io/Trace

Designing architectures for deep neural networks requires expert knowledge and substantial computation time. We propose a technique to accelerate architecture selection by learning an auxiliary HyperNet that generates the weights of a main model conditioned on that model's architecture. By comparing the relative validation performance of networks with HyperNet-generated weights, we can effectively search over a wide range of architectures at the cost of a single training run. To facilitate this search, we develop a flexible mechanism based on memory read-writes that allows us to define a wide range of network connectivity patterns, with ResNet, DenseNet, and FractalNet blocks as special cases. We validate our method (SMASH) on CIFAR-10 and CIFAR-100, STL-10, ModelNet10, and Imagenet32x32, achieving competitive performance with similarly-sized hand-designed networks. Our code is available at https://github.com/ajbrock/SMASH

Reasoning is a fundamental substrate for solving novel and complex problems. Deliberate efforts in learning and developing frameworks around System 2 reasoning have made great strides, yet problems of sufficient complexity remain largely out of reach for open models. To address this gap, we examine the potential of Generative Flow Networks as a fine-tuning method for LLMs to unlock advanced reasoning capabilities. In this paper, we present a proof of concept in the domain of formal reasoning, specifically in the Neural Theorem Proving (NTP) setting, where proofs specified in a formal language such as Lean can be deterministically and objectively verified. Unlike classical reward-maximization reinforcement learning, which frequently over-exploits high-reward actions and fails to effectively explore the state space, GFlowNets have emerged as a promising approach for sampling compositional objects, improving generalization, and enabling models to maintain diverse hypotheses. Our early results demonstrate GFlowNet fine-tuning's potential for enhancing model performance in a search setting, which is especially relevant given the paradigm shift towards inference time compute scaling and "thinking slowly."

Large language model (LLM) routers improve the efficiency of multi-model systems by directing each query to the most appropriate model while leveraging the diverse strengths of heterogeneous LLMs. Most existing approaches frame routing as a classification problem based solely on the input query. While this reduces overhead by avoiding inference across all models, it overlooks valuable information that could be gleaned from potential outputs and fails to capture implicit intent or contextual nuances that often emerge only during response generation. These limitations can result in suboptimal routing decisions, particularly for complex or ambiguous queries that require deeper semantic understanding. To address this challenge, we propose Lookahead, a routing framework that "foresees" potential model outputs by predicting their latent representations and uses these predictions to guide model selection, thus enabling more informed routing without full inference. Within this framework, we implement two approaches based on causal and masked language models. Empirical evaluations across seven public benchmarks - spanning instruction following, mathematical reasoning, and code generation - show that Lookahead consistently outperforms existing routing baselines, achieving an average performance gain of 7.7% over the state-of-the-art. Our code is available at https://github.com/huangcb01/lookahead-routing.

Building efficient and effective generative models for neural network weights has been a research focus of significant interest that faces challenges posed by the high-dimensional weight spaces of modern neural networks and their symmetries. Several prior generative models are limited to generating partial neural network weights, particularly for larger models, such as ResNet and ViT. Those that do generate complete weights struggle with generation speed or require finetuning of the generated models. In this work, we present DeepWeightFlow, a Flow Matching model that operates directly in weight space to generate diverse and high-accuracy neural network weights for a variety of architectures, neural network sizes, and data modalities. The neural networks generated by DeepWeightFlow do not require fine-tuning to perform well and can scale to large networks. We apply Git Re-Basin and TransFusion for neural network canonicalization in the context of generative weight models to account for the impact of neural network permutation symmetries and to improve generation efficiency for larger model sizes. The generated networks excel at transfer learning, and ensembles of hundreds of neural networks can be generated in minutes, far exceeding the efficiency of diffusion-based methods. DeepWeightFlow models pave the way for more efficient and scalable generation of diverse sets of neural networks.

Large language models (LLMs) exhibit strong generative capabilities and have shown great potential in code generation. Existing chain-of-thought (CoT) prompting methods enhance model reasoning by eliciting intermediate steps, but suffer from two major limitations: First, their uniform application tends to induce overthinking on simple tasks. Second, they lack intention abstraction in code generation, such as explicitly modeling core algorithmic design and efficiency, leading models to focus on surface-level structures while neglecting the global problem objective. Inspired by the cognitive economy principle of engaging structured reasoning only when necessary to conserve cognitive resources, we propose RoutingGen, a novel difficulty-aware routing framework that dynamically adapts prompting strategies for code generation. For simple tasks, it adopts few-shot prompting; for more complex ones, it invokes a structured reasoning strategy, termed Intention Chain-of-Thought (ICoT), which we introduce to guide the model in capturing task intention, such as the core algorithmic logic and its time complexity. Experiments across three models and six standard code generation benchmarks show that RoutingGen achieves state-of-the-art performance in most settings, while reducing total token usage by 46.37% on average across settings. Furthermore, ICoT outperforms six existing prompting baselines on challenging benchmarks.

Workflows are a fundamental component of automation in enterprise platforms, enabling the orchestration of tasks, data processing, and system integrations. Despite being widely used, building workflows can be complex, often requiring manual configuration through low-code platforms or visual programming tools. To simplify this process, we explore the use of generative foundation models, particularly vision-language models (VLMs), to automatically generate structured workflows from visual inputs. Translating hand-drawn sketches or computer-generated diagrams into executable workflows is challenging due to the ambiguity of free-form drawings, variations in diagram styles, and the difficulty of inferring execution logic from visual elements. To address this, we introduce StarFlow, a framework for generating structured workflow outputs from sketches using vision-language models. We curate a diverse dataset of workflow diagrams -- including synthetic, manually annotated, and real-world samples -- to enable robust training and evaluation. We finetune and benchmark multiple vision-language models, conducting a series of ablation studies to analyze the strengths and limitations of our approach. Our results show that finetuning significantly enhances structured workflow generation, outperforming large vision-language models on this task.

Flow-based generative models achieve state-of-the-art sample quality, but require the expensive solution of a differential equation at inference time. Flow map models, commonly known as consistency models, encompass many recent efforts to improve inference-time efficiency by learning the solution operator of this differential equation. Yet despite their promise, these models lack a unified description that clearly explains how to learn them efficiently in practice. Here, building on the methodology proposed in Boffi et. al. (2024), we present a systematic algorithmic framework for directly learning the flow map associated with a flow or diffusion model. By exploiting a relationship between the velocity field underlying a continuous-time flow and the instantaneous rate of change of the flow map, we show how to convert any distillation scheme into a direct training algorithm via self-distillation, eliminating the need for pre-trained teachers. We introduce three algorithmic families based on different mathematical characterizations of the flow map: Eulerian, Lagrangian, and Progressive methods, which we show encompass and extend all known distillation and direct training schemes for consistency models. We find that the novel class of Lagrangian methods, which avoid both spatial derivatives and bootstrapping from small steps by design, achieve significantly more stable training and higher performance than more standard Eulerian and Progressive schemes. Our methodology unifies existing training schemes under a single common framework and reveals new design principles for accelerated generative modeling. Associated code is available at https://github.com/nmboffi/flow-maps.

Information flows by routes inside the network via mechanisms implemented in the model. These routes can be represented as graphs where nodes correspond to token representations and edges to operations inside the network. We automatically build these graphs in a top-down manner, for each prediction leaving only the most important nodes and edges. In contrast to the existing workflows relying on activation patching, we do this through attribution: this allows us to efficiently uncover existing circuits with just a single forward pass. Additionally, the applicability of our method is far beyond patching: we do not need a human to carefully design prediction templates, and we can extract information flow routes for any prediction (not just the ones among the allowed templates). As a result, we can talk about model behavior in general, for specific types of predictions, or different domains. We experiment with Llama 2 and show that the role of some attention heads is overall important, e.g. previous token heads and subword merging heads. Next, we find similarities in Llama 2 behavior when handling tokens of the same part of speech. Finally, we show that some model components can be specialized on domains such as coding or multilingual texts.

Flow matching (FM) is a general framework for defining probability paths via Ordinary Differential Equations (ODEs) to transform between noise and data samples. Recent approaches attempt to straighten these flow trajectories to generate high-quality samples with fewer function evaluations, typically through iterative rectification methods or optimal transport solutions. In this paper, we introduce Consistency Flow Matching (Consistency-FM), a novel FM method that explicitly enforces self-consistency in the velocity field. Consistency-FM directly defines straight flows starting from different times to the same endpoint, imposing constraints on their velocity values. Additionally, we propose a multi-segment training approach for Consistency-FM to enhance expressiveness, achieving a better trade-off between sampling quality and speed. Preliminary experiments demonstrate that our Consistency-FM significantly improves training efficiency by converging 4.4x faster than consistency models and 1.7x faster than rectified flow models while achieving better generation quality. Our code is available at: https://github.com/YangLing0818/consistency_flow_matching

This paper proposes a query-level meta-agent named FlowReasoner to automate the design of query-level multi-agent systems, i.e., one system per user query. Our core idea is to incentivize a reasoning-based meta-agent via external execution feedback. Concretely, by distilling DeepSeek R1, we first endow the basic reasoning ability regarding the generation of multi-agent systems to FlowReasoner. Then, we further enhance it via reinforcement learning (RL) with external execution feedback. A multi-purpose reward is designed to guide the RL training from aspects of performance, complexity, and efficiency. In this manner, FlowReasoner is enabled to generate a personalized multi-agent system for each user query via deliberative reasoning. Experiments on both engineering and competition code benchmarks demonstrate the superiority of FlowReasoner. Remarkably, it surpasses o1-mini by 10.52% accuracy across three benchmarks. The code is available at https://github.com/sail-sg/FlowReasoner.

We present Piecewise Rectified Flow (PeRFlow), a flow-based method for accelerating diffusion models. PeRFlow divides the sampling process of generative flows into several time windows and straightens the trajectories in each interval via the reflow operation, thereby approaching piecewise linear flows. PeRFlow achieves superior performance in a few-step generation. Moreover, through dedicated parameterizations, the obtained PeRFlow models show advantageous transfer ability, serving as universal plug-and-play accelerators that are compatible with various workflows based on the pre-trained diffusion models. The implementations of training and inference are fully open-sourced. https://github.com/magic-research/piecewise-rectified-flow

Recent advances in LLM-based multi-agent systems (MAS) show that workflows composed of multiple LLM agents with distinct roles, tools, and communication patterns can outperform single-LLM baselines on complex tasks. However, most frameworks are homogeneous, where all agents share the same base LLM and differ only in prompts, tools, and positions in the workflow. This raises the question of whether such workflows can be simulated by a single agent through multi-turn conversations. We investigate this across seven benchmarks spanning coding, mathematics, general question answering, domain-specific reasoning, and real-world planning and tool use. Our results show that a single agent can reach the performance of homogeneous workflows with an efficiency advantage from KV cache reuse, and can even match the performance of an automatically optimized heterogeneous workflow. Building on this finding, we propose OneFlow, an algorithm that automatically tailors workflows for single-agent execution, reducing inference costs compared to existing automatic multi-agent design frameworks without trading off accuracy. These results position the single-LLM implementation of multi-agent workflows as a strong baseline for MAS research. We also note that single-LLM methods cannot capture heterogeneous workflows due to the lack of KV cache sharing across different LLMs, highlighting future opportunities in developing truly heterogeneous multi-agent systems.

Feature interaction has long been a cornerstone of ranking models in large-scale recommender systems due to its proven effectiveness in capturing complex dependencies among features. However, existing feature interaction strategies face two critical challenges in industrial applications: (1) The vast number of categorical and sequential features makes exhaustive interaction computationally prohibitive, often resulting in optimization difficulties. (2) Real-world recommender systems typically involve multiple prediction objectives, yet most current approaches apply feature interaction modules prior to the multi-task learning layers. This late-fusion design overlooks task-specific feature dependencies and inherently limits the capacity of multi-task modeling. To address these limitations, we propose the Information Flow Network (INFNet), a task-aware architecture designed for large-scale recommendation scenarios. INFNet distinguishes features into three token types, categorical tokens, sequence tokens, and task tokens, and introduces a novel dual-flow design comprising heterogeneous and homogeneous alternating information blocks. For heterogeneous information flow, we employ a cross-attention mechanism with proxy that facilitates efficient cross-modal token interaction with balanced computational cost. For homogeneous flow, we design type-specific Proxy Gated Units (PGUs) to enable fine-grained intra-type feature processing. Extensive experiments on multiple offline benchmarks confirm that INFNet achieves state-of-the-art performance. Moreover, INFNet has been successfully deployed in a commercial online advertising system, yielding significant gains of +1.587% in Revenue (REV) and +1.155% in Click-Through Rate (CTR).

Predicting program behavior without execution is an essential and challenging task in software engineering. Traditional models often struggle to capture dynamic dependencies and interactions within code. This paper introduces a novel machine learning-based framework called CodeFlowrepresents, which predicts code coverage and detects runtime errors through Dynamic Dependencies Learning. Utilizing control flow graphs (CFGs), CodeFlowrepresents all possible execution paths and the relationships between different statements, offering a comprehensive understanding of program behavior. It constructs CFGs to depict execution paths and learns vector representations for CFG nodes, capturing static control-flow dependencies. Additionally, it learns dynamic dependencies through execution traces, which reflect the impacts among statements during execution. This approach enables accurate prediction of code coverage and identification of runtime errors. Empirical evaluations show significant improvements in code coverage prediction accuracy and effective localization of runtime errors, surpassing current models.

Analyzing network topologies and communication graphs plays a crucial role in contemporary network management. However, the absence of a cohesive approach leads to a challenging learning curve, heightened errors, and inefficiencies. In this paper, we introduce a novel approach to facilitate a natural-language-based network management experience, utilizing large language models (LLMs) to generate task-specific code from natural language queries. This method tackles the challenges of explainability, scalability, and privacy by allowing network operators to inspect the generated code, eliminating the need to share network data with LLMs, and concentrating on application-specific requests combined with general program synthesis techniques. We design and evaluate a prototype system using benchmark applications, showcasing high accuracy, cost-effectiveness, and the potential for further enhancements using complementary program synthesis techniques.

Developing models capable of complex, multi-step reasoning is a central goal in artificial intelligence. While representing problems as graphs is a powerful approach, Graph Neural Networks (GNNs) are fundamentally constrained by their message-passing mechanism, which imposes a local bottleneck that limits global, holistic reasoning. We argue that dynamic programming (DP), which solves problems by iteratively refining a global state, offers a more powerful and suitable learning paradigm. We introduce FloydNet, a new architecture that embodies this principle. In contrast to local message passing, FloydNet maintains a global, all-pairs relationship tensor and learns a generalized DP operator to progressively refine it. This enables the model to develop a task-specific relational calculus, providing a principled framework for capturing long-range dependencies. Theoretically, we prove that FloydNet achieves 3-WL (2-FWL) expressive power, and its generalized form aligns with the k-FWL hierarchy. FloydNet demonstrates state-of-the-art performance across challenging domains: it achieves near-perfect scores (often >99\%) on the CLRS-30 algorithmic benchmark, finds exact optimal solutions for the general Traveling Salesman Problem (TSP) at rates significantly exceeding strong heuristics, and empirically matches the 3-WL test on the BREC benchmark. Our results establish this learned, DP-style refinement as a powerful and practical alternative to message passing for high-level graph reasoning.

Tool-augmented large language models have advanced from single-turn question answering to deep research workflows that iteratively plan queries, invoke external tools, and synthesize information to address complex information needs. Evaluating such workflows presents a fundamental challenge: reliance on live APIs introduces non-determinism, as tool invocations may yield different results across runs due to temporal drift, rate limiting, and evolving backend states. This variance undermines reproducibility and invalidates cross-system comparisons. We present ScholarGym, a simulation environment for reproducible evaluation of deep research workflows on academic literature. The environment decouples workflow components into query planning, tool invocation, and relevance assessment, enabling fine-grained analysis of each stage under controlled conditions. Built on a static corpus of 570K papers with deterministic retrieval, ScholarGym provides 2,536 queries with expert-annotated ground truth. Experiments across diverse backbone models reveal how reasoning capabilities, planning strategies, and selection mechanisms interact over iterative refinement.

Normalizing flows (NFs) have become a prominent method for deep generative models that allow for an analytic probability density estimation and efficient synthesis. However, a flow-based network is considered to be inefficient in parameter complexity because of reduced expressiveness of bijective mapping, which renders the models unfeasibly expensive in terms of parameters. We present an alternative parameterization scheme called NanoFlow, which uses a single neural density estimator to model multiple transformation stages. Hence, we propose an efficient parameter decomposition method and the concept of flow indication embedding, which are key missing components that enable density estimation from a single neural network. Experiments performed on audio and image models confirm that our method provides a new parameter-efficient solution for scalable NFs with significant sublinear parameter complexity.

This paper studies generative flow networks (GFlowNets) to sample objects from the Boltzmann energy distribution via a sequence of actions. In particular, we focus on improving GFlowNet with partial inference: training flow functions with the evaluation of the intermediate states or transitions. To this end, the recently developed forward-looking GFlowNet reparameterizes the flow functions based on evaluating the energy of intermediate states. However, such an evaluation of intermediate energies may (i) be too expensive or impossible to evaluate and (ii) even provide misleading training signals under large energy fluctuations along the sequence of actions. To resolve this issue, we propose learning energy decompositions for GFlowNets (LED-GFN). Our main idea is to (i) decompose the energy of an object into learnable potential functions defined on state transitions and (ii) reparameterize the flow functions using the potential functions. In particular, to produce informative local credits, we propose to regularize the potential to change smoothly over the sequence of actions. It is also noteworthy that training GFlowNet with our learned potential can preserve the optimal policy. We empirically verify the superiority of LED-GFN in five problems including the generation of unstructured and maximum independent sets, molecular graphs, and RNA sequences.

Despite Flow Matching and diffusion models having emerged as powerful generative paradigms for continuous variables such as images and videos, their application to high-dimensional discrete data, such as language, is still limited. In this work, we present Discrete Flow Matching, a novel discrete flow paradigm designed specifically for generating discrete data. Discrete Flow Matching offers several key contributions: (i) it works with a general family of probability paths interpolating between source and target distributions; (ii) it allows for a generic formula for sampling from these probability paths using learned posteriors such as the probability denoiser (x-prediction) and noise-prediction (epsilon-prediction); (iii) practically, focusing on specific probability paths defined with different schedulers considerably improves generative perplexity compared to previous discrete diffusion and flow models; and (iv) by scaling Discrete Flow Matching models up to 1.7B parameters, we reach 6.7% Pass@1 and 13.4% Pass@10 on HumanEval and 6.7% Pass@1 and 20.6% Pass@10 on 1-shot MBPP coding benchmarks. Our approach is capable of generating high-quality discrete data in a non-autoregressive fashion, significantly closing the gap between autoregressive models and discrete flow models.

Recent studies have drawn attention to the untapped potential of the "star operation" (element-wise multiplication) in network design. While intuitive explanations abound, the foundational rationale behind its application remains largely unexplored. Our study attempts to reveal the star operation's ability to map inputs into high-dimensional, non-linear feature spaces -- akin to kernel tricks -- without widening the network. We further introduce StarNet, a simple yet powerful prototype, demonstrating impressive performance and low latency under compact network structure and efficient budget. Like stars in the sky, the star operation appears unremarkable but holds a vast universe of potential. Our work encourages further exploration across tasks, with codes available at https://github.com/ma-xu/Rewrite-the-Stars.

Continuous-time Consistency Models (CMs) promise efficient few-step generation but face significant challenges with training instability. We argue this instability stems from a fundamental conflict: by training a network to learn only a shortcut across a probability flow, the model loses its grasp on the instantaneous velocity field that defines the flow. Our solution is to explicitly anchor the model in the underlying flow during training. We introduce the Flow-Anchored Consistency Model (FACM), a simple but effective training strategy that uses a Flow Matching (FM) task as an anchor for the primary CM shortcut objective. This Flow-Anchoring approach requires no architectural modifications and is broadly compatible with standard model architectures. By distilling a pre-trained LightningDiT model, our method achieves a state-of-the-art FID of 1.32 with two steps (NFE=2) and 1.76 with just one step (NFE=1) on ImageNet 256x256, significantly outperforming previous methods. This provides a general and effective recipe for building high-performance, few-step generative models. Our code and pretrained models: https://github.com/ali-vilab/FACM.

In this paper, we establish a connection between the parameterization of flow-based and energy-based generative models, and present a new flow-based modeling approach called energy-based normalizing flow (EBFlow). We demonstrate that by optimizing EBFlow with score-matching objectives, the computation of Jacobian determinants for linear transformations can be entirely bypassed. This feature enables the use of arbitrary linear layers in the construction of flow-based models without increasing the computational time complexity of each training iteration from O(D^2L) to O(D^3L) for an L-layered model that accepts D-dimensional inputs. This makes the training of EBFlow more efficient than the commonly-adopted maximum likelihood training method. In addition to the reduction in runtime, we enhance the training stability and empirical performance of EBFlow through a number of techniques developed based on our analysis of the score-matching methods. The experimental results demonstrate that our approach achieves a significant speedup compared to maximum likelihood estimation while outperforming prior methods with a noticeable margin in terms of negative log-likelihood (NLL).

Generative flow networks (GFlowNets) are a family of algorithms that learn a generative policy to sample discrete objects x with non-negative reward R(x). Learning objectives guarantee the GFlowNet samples x from the target distribution p^*(x) propto R(x) when loss is globally minimized over all states or trajectories, but it is unclear how well they perform with practical limits on training resources. We introduce an efficient evaluation strategy to compare the learned sampling distribution to the target reward distribution. As flows can be underdetermined given training data, we clarify the importance of learned flows to generalization and matching p^*(x) in practice. We investigate how to learn better flows, and propose (i) prioritized replay training of high-reward x, (ii) relative edge flow policy parametrization, and (iii) a novel guided trajectory balance objective, and show how it can solve a substructure credit assignment problem. We substantially improve sample efficiency on biochemical design tasks.

Flow-based generative models parameterize probability distributions through an invertible transformation and can be trained by maximum likelihood. Invertible residual networks provide a flexible family of transformations where only Lipschitz conditions rather than strict architectural constraints are needed for enforcing invertibility. However, prior work trained invertible residual networks for density estimation by relying on biased log-density estimates whose bias increased with the network's expressiveness. We give a tractable unbiased estimate of the log density using a "Russian roulette" estimator, and reduce the memory required during training by using an alternative infinite series for the gradient. Furthermore, we improve invertible residual blocks by proposing the use of activation functions that avoid derivative saturation and generalizing the Lipschitz condition to induced mixed norms. The resulting approach, called Residual Flows, achieves state-of-the-art performance on density estimation amongst flow-based models, and outperforms networks that use coupling blocks at joint generative and discriminative modeling.

Despite growing interest in domain-specific benchmarking of large language models (LLMs) and agents, current evaluations remain limited to static, small-scale datasets, especially in high-stakes tasks like network operations that demand reliability for deployments. We present NetPress, an automated benchmark generation framework for evaluating LLM agents in network applications. NetPress introduces a unified abstraction with state and action, enabling dynamic generation of diverse query sets along with corresponding ground truths. At runtime, users can specify benchmark configurations to generate millions of queries on the fly. In addition to dynamic benchmark construction, NetPress integrates with network emulators to provide realistic environment feedback, supporting comprehensive evaluation across correctness, safety, and latency. We instantiate NetPress on three representative applications, revealing interesting fine-grained differences in agent behavior that static, correctness-only benchmarks often miss. NetPress moves LLM evaluation toward realistic, scalable testing in infrastructure-centric domains, helping close the gap between benchmark performance and real-world deployment readiness. Code is available at https://github.com/Froot-NetSys/NetPress.

In recent years, graph pre-training has gained significant attention, focusing on acquiring transferable knowledge from unlabeled graph data to improve downstream performance. Despite these recent endeavors, the problem of negative transfer remains a major concern when utilizing graph pre-trained models to downstream tasks. Previous studies made great efforts on the issue of what to pre-train and how to pre-train by designing a variety of graph pre-training and fine-tuning strategies. However, there are cases where even the most advanced "pre-train and fine-tune" paradigms fail to yield distinct benefits. This paper introduces a generic framework W2PGNN to answer the crucial question of when to pre-train (i.e., in what situations could we take advantage of graph pre-training) before performing effortful pre-training or fine-tuning. We start from a new perspective to explore the complex generative mechanisms from the pre-training data to downstream data. In particular, W2PGNN first fits the pre-training data into graphon bases, each element of graphon basis (i.e., a graphon) identifies a fundamental transferable pattern shared by a collection of pre-training graphs. All convex combinations of graphon bases give rise to a generator space, from which graphs generated form the solution space for those downstream data that can benefit from pre-training. In this manner, the feasibility of pre-training can be quantified as the generation probability of the downstream data from any generator in the generator space. W2PGNN offers three broad applications: providing the application scope of graph pre-trained models, quantifying the feasibility of pre-training, and assistance in selecting pre-training data to enhance downstream performance. We provide a theoretically sound solution for the first application and extensive empirical justifications for the latter two applications.

Discrete diffusion or flow models could enable faster and more controllable sequence generation than autoregressive models. We show that na\"ive linear flow matching on the simplex is insufficient toward this goal since it suffers from discontinuities in the training target and further pathologies. To overcome this, we develop Dirichlet flow matching on the simplex based on mixtures of Dirichlet distributions as probability paths. In this framework, we derive a connection between the mixtures' scores and the flow's vector field that allows for classifier and classifier-free guidance. Further, we provide distilled Dirichlet flow matching, which enables one-step sequence generation with minimal performance hits, resulting in O(L) speedups compared to autoregressive models. On complex DNA sequence generation tasks, we demonstrate superior performance compared to all baselines in distributional metrics and in achieving desired design targets for generated sequences. Finally, we show that our classifier-free guidance approach improves unconditional generation and is effective for generating DNA that satisfies design targets. Code is available at https://github.com/HannesStark/dirichlet-flow-matching.

ComfyUI provides a widely-adopted, workflow-based interface that enables users to customize various image generation tasks through an intuitive node-based architecture. However, the intricate connections between nodes and diverse modules often present a steep learning curve for users. In this paper, we introduce ComfyGPT, the first self-optimizing multi-agent system designed to generate ComfyUI workflows based on task descriptions automatically. ComfyGPT comprises four specialized agents: ReformatAgent, FlowAgent, RefineAgent, and ExecuteAgent. The core innovation of ComfyGPT lies in two key aspects. First, it focuses on generating individual node links rather than entire workflows, significantly improving generation precision. Second, we proposed FlowAgent, a LLM-based workflow generation agent that uses both supervised fine-tuning (SFT) and reinforcement learning (RL) to improve workflow generation accuracy. Moreover, we introduce FlowDataset, a large-scale dataset containing 13,571 workflow-description pairs, and FlowBench, a comprehensive benchmark for evaluating workflow generation systems. We also propose four novel evaluation metrics: Format Validation (FV), Pass Accuracy (PA), Pass Instruct Alignment (PIA), and Pass Node Diversity (PND). Experimental results demonstrate that ComfyGPT significantly outperforms existing LLM-based methods in workflow generation.

The rapidly growing demand for high-quality data in Large Language Models (LLMs) has intensified the need for scalable, reliable, and semantically rich data preparation pipelines. However, current practices remain dominated by ad-hoc scripts and loosely specified workflows, which lack principled abstractions, hinder reproducibility, and offer limited support for model-in-the-loop data generation. To address these challenges, we present DataFlow, a unified and extensible LLM-driven data preparation framework. DataFlow is designed with system-level abstractions that enable modular, reusable, and composable data transformations, and provides a PyTorch-style pipeline construction API for building debuggable and optimizable dataflows. The framework consists of nearly 200 reusable operators and six domain-general pipelines spanning text, mathematical reasoning, code, Text-to-SQL, agentic RAG, and large-scale knowledge extraction. To further improve usability, we introduce DataFlow-Agent, which automatically translates natural-language specifications into executable pipelines via operator synthesis, pipeline planning, and iterative verification. Across six representative use cases, DataFlow consistently improves downstream LLM performance. Our math, code, and text pipelines outperform curated human datasets and specialized synthetic baselines, achieving up to +3\% execution accuracy in Text-to-SQL over SynSQL, +7\% average improvements on code benchmarks, and 1--3 point gains on MATH, GSM8K, and AIME. Moreover, a unified 10K-sample dataset produced by DataFlow enables base models to surpass counterparts trained on 1M Infinity-Instruct data. These results demonstrate that DataFlow provides a practical and high-performance substrate for reliable, reproducible, and scalable LLM data preparation, and establishes a system-level foundation for future data-centric AI development.

Current search techniques are limited to standard RAG query-document applications. In this paper, we propose a novel technique to expand the code and index for predicting the required APIs, directly enabling high-quality, end-to-end code generation for auto-completion and agentic AI applications. We address the problem of API leaks in current code-to-code benchmark datasets by introducing a new dataset built from real-world ServiceNow Script Includes that capture the challenge of unclear API usage intent in the code. Our evaluation metrics show that this method achieves 87.86% top-40 retrieval accuracy, allowing the critical context with APIs needed for successful downstream code generation. To enable real-time predictions, we develop a comprehensive post-training pipeline that optimizes a compact 0.6B reranker through synthetic dataset generation, supervised fine-tuning, and reinforcement learning. This approach enables our compact reranker to outperform a much larger 8B model while maintaining 2.5x reduced latency, effectively addressing the nuances of enterprise-specific code without the computational overhead of larger models.

Scientific idea generation (SIG) is critical to AI-driven autonomous research, yet existing approaches are often constrained by a static retrieval-then-generation paradigm, leading to homogeneous and insufficiently divergent ideas. In this work, we propose FlowPIE, a tightly coupled retrieval-generation framework that treats literature exploration and idea generation as a co-evolving process. FlowPIE expands literature trajectories via a flow-guided Monte Carlo Tree Search (MCTS) inspired by GFlowNets, using the quality of current ideas assessed by an LLM-based generative reward model (GRM) as a supervised signal to guide adaptive retrieval and construct a diverse, high-quality initial population. Based on this population, FlowPIE models idea generation as a test-time idea evolution process, applying selection, crossover, and mutation with the isolation island paradigm and GRM-based fitness computation to incorporate cross-domain knowledge. It effectively mitigates the information cocoons arising from over-reliance on parametric knowledge and static literature. Extensive evaluations demonstrate that FlowPIE consistently produces ideas with higher novelty, feasibility and diversity compared to strong LLM-based and agent-based frameworks, while enabling reward scaling during test time.

The weight matrix (WM) of a neural network (NN) is its program. The programs of many traditional NNs are learned through gradient descent in some error function, then remain fixed. The WM of a self-referential NN, however, can keep rapidly modifying all of itself during runtime. In principle, such NNs can meta-learn to learn, and meta-meta-learn to meta-learn to learn, and so on, in the sense of recursive self-improvement. While NN architectures potentially capable of implementing such behaviour have been proposed since the '90s, there have been few if any practical studies. Here we revisit such NNs, building upon recent successes of fast weight programmers and closely related linear Transformers. We propose a scalable self-referential WM (SRWM) that learns to use outer products and the delta update rule to modify itself. We evaluate our SRWM in supervised few-shot learning and in multi-task reinforcement learning with procedurally generated game environments. Our experiments demonstrate both practical applicability and competitive performance of the proposed SRWM. Our code is public.

Flow matching has emerged as a powerful generative modeling approach with flexible choices of source distribution. While Gaussian distributions are commonly used, the potential for better alternatives in high-dimensional data generation remains largely unexplored. In this paper, we propose a novel 2D simulation that captures high-dimensional geometric properties in an interpretable 2D setting, enabling us to analyze the learning dynamics of flow matching during training. Based on this analysis, we derive several key insights about flow matching behavior: (1) density approximation can paradoxically degrade performance due to mode discrepancy, (2) directional alignment suffers from path entanglement when overly concentrated, (3) Gaussian's omnidirectional coverage ensures robust learning, and (4) norm misalignment incurs substantial learning costs. Building on these insights, we propose a practical framework that combines norm-aligned training with directionally-pruned sampling. This approach maintains the robust omnidirectional supervision essential for stable flow learning, while eliminating initializations in data-sparse regions during inference. Importantly, our pruning strategy can be applied to any flow matching model trained with a Gaussian source, providing immediate performance gains without the need for retraining. Empirical evaluations demonstrate consistent improvements in both generation quality and sampling efficiency. Our findings provide practical insights and guidelines for source distribution design and introduce a readily applicable technique for improving existing flow matching models. Our code is available at https://github.com/kwanseokk/SourceFM.

While large language models (LLMs) are increasingly adapted for recommendation systems via supervised fine-tuning (SFT), this approach amplifies popularity bias due to its likelihood maximization objective, compromising recommendation diversity and fairness. To address this, we present Flow-guided fine-tuning recommender (Flower), which replaces SFT with a Generative Flow Network (GFlowNet) framework that enacts process supervision through token-level reward propagation. Flower's key innovation lies in decomposing item-level rewards into constituent token rewards, enabling direct alignment between token generation probabilities and their reward signals. This mechanism achieves three critical advancements: (1) popularity bias mitigation and fairness enhancement through empirical distribution matching, (2) preservation of diversity through GFlowNet's proportional sampling, and (3) flexible integration of personalized preferences via adaptable token rewards. Experiments demonstrate Flower's superior distribution-fitting capability and its significant advantages over traditional SFT in terms of fairness, diversity, and accuracy, highlighting its potential to improve LLM-based recommendation systems. The implementation is available via https://github.com/Mr-Peach0301/Flower

We present JanusFlow, a powerful framework that unifies image understanding and generation in a single model. JanusFlow introduces a minimalist architecture that integrates autoregressive language models with rectified flow, a state-of-the-art method in generative modeling. Our key finding demonstrates that rectified flow can be straightforwardly trained within the large language model framework, eliminating the need for complex architectural modifications. To further improve the performance of our unified model, we adopt two key strategies: (i) decoupling the understanding and generation encoders, and (ii) aligning their representations during unified training. Extensive experiments show that JanusFlow achieves comparable or superior performance to specialized models in their respective domains, while significantly outperforming existing unified approaches across standard benchmarks. This work represents a step toward more efficient and versatile vision-language models.

Recent availability of Large Language Models (LLMs) has led to the development of numerous LLM-based approaches aimed at providing natural language interfaces for various end-user tasks. These end-user tasks in turn can typically be accomplished by orchestrating a given set of APIs. In practice, natural language task requests (user queries) are often incomplete, i.e., they may not contain all the information required by the APIs. While LLMs excel at natural language processing (NLP) tasks, they frequently hallucinate on missing information or struggle with orchestrating the APIs. The key idea behind our proposed approach is to leverage logical reasoning and classical AI planning along with an LLM for accurately answering user queries including identification and gathering of any missing information in these queries. Our approach uses an LLM and ASP (Answer Set Programming) solver to translate a user query to a representation in Planning Domain Definition Language (PDDL) via an intermediate representation in ASP. We introduce a special API "get_info_api" for gathering missing information. We model all the APIs as PDDL actions in a way that supports dataflow between the APIs. Our approach then uses a classical AI planner to generate an orchestration of API calls (including calls to get_info_api) to answer the user query. Our evaluation results show that our approach significantly outperforms a pure LLM based approach by achieving over 95\% success rate in most cases on a dataset containing complete and incomplete single goal and multi-goal queries where the multi-goal queries may or may not require dataflow among the APIs.

Modern continuous-time generative models typically induce V-shaped flows: each sample travels independently along a nearly straight trajectory from the prior to the data. Although effective, this independent movement overlooks the hierarchical structures that exist in real-world data. To address this, we introduce Y-shaped generative flows, a framework in which samples travel together along shared pathways before branching off to target-specific endpoints. Our formulation is theoretically justified, yet remains practical, requiring only minimal modifications to standard velocity-driven models. We implement this through a scalable, neural network-based training objective. Experiments on synthetic, image, and biological datasets demonstrate that our method recovers hierarchy-aware structures, improves distributional metrics over strong flow-based baselines, and reaches targets in fewer steps.

Continuous-time event sequences play a vital role in real-world domains such as healthcare, finance, online shopping, social networks, and so on. To model such data, temporal point processes (TPPs) have emerged as the most natural and competitive models, making a significant impact in both academic and application communities. Despite the emergence of many powerful models in recent years, there hasn't been a central benchmark for these models and future research endeavors. This lack of standardization impedes researchers and practitioners from comparing methods and reproducing results, potentially slowing down progress in this field. In this paper, we present EasyTPP, the first central repository of research assets (e.g., data, models, evaluation programs, documentations) in the area of event sequence modeling. Our EasyTPP makes several unique contributions to this area: a unified interface of using existing datasets and adding new datasets; a wide range of evaluation programs that are easy to use and extend as well as facilitate reproducible research; implementations of popular neural TPPs, together with a rich library of modules by composing which one could quickly build complex models. All the data and implementation can be found at https://github.com/ant-research/EasyTemporalPointProcess. We will actively maintain this benchmark and welcome contributions from other researchers and practitioners. Our benchmark will help promote reproducible research in this field, thus accelerating research progress as well as making more significant real-world impacts.

The Dragonfly network, with its high-radix and low-diameter structure, is a leading interconnect in high-performance computing. A major challenge is workload interference on shared network links. Parallel discrete event simulation (PDES) is commonly used to analyze workload interference. However, high-fidelity PDES is computationally expensive, making it impractical for large-scale or real-time scenarios. Hybrid simulation that incorporates data-driven surrogate models offers a promising alternative, especially for forecasting application runtime, a task complicated by the dynamic behavior of network traffic. We present \ourmodel, a surrogate model that combines graph neural networks (GNNs) and large language models (LLMs) to capture both spatial and temporal patterns from port level router data. \ourmodel outperforms existing statistical and machine learning baselines, enabling accurate runtime prediction and supporting efficient hybrid simulation of Dragonfly networks.

Flow matching models have emerged as a powerful method for generative modeling on domains like images or videos, and even on irregular or unstructured data like 3D point clouds or even protein structures. These models are commonly trained in two stages: first, a data compressor is trained, and in a subsequent training stage a flow matching generative model is trained in the latent space of the data compressor. This two-stage paradigm sets obstacles for unifying models across data domains, as hand-crafted compressors architectures are used for different data modalities. To this end, we introduce INRFlow, a domain-agnostic approach to learn flow matching transformers directly in ambient space. Drawing inspiration from INRs, we introduce a conditionally independent point-wise training objective that enables INRFlow to make predictions continuously in coordinate space. Our empirical results demonstrate that INRFlow effectively handles different data modalities such as images, 3D point clouds and protein structure data, achieving strong performance in different domains and outperforming comparable approaches. INRFlow is a promising step towards domain-agnostic flow matching generative models that can be trivially adopted in different data domains.

Building on the success of diffusion models in visual generation, flow-based models reemerge as another prominent family of generative models that have achieved competitive or better performance in terms of both visual quality and inference speed. By learning the velocity field through flow-matching, flow-based models tend to produce a straighter sampling trajectory, which is advantageous during the sampling process. However, unlike diffusion models for which fast samplers are well-developed, efficient sampling of flow-based generative models has been rarely explored. In this paper, we propose a framework called FlowTurbo to accelerate the sampling of flow-based models while still enhancing the sampling quality. Our primary observation is that the velocity predictor's outputs in the flow-based models will become stable during the sampling, enabling the estimation of velocity via a lightweight velocity refiner. Additionally, we introduce several techniques including a pseudo corrector and sample-aware compilation to further reduce inference time. Since FlowTurbo does not change the multi-step sampling paradigm, it can be effectively applied for various tasks such as image editing, inpainting, etc. By integrating FlowTurbo into different flow-based models, we obtain an acceleration ratio of 53.1%sim58.3% on class-conditional generation and 29.8%sim38.5% on text-to-image generation. Notably, FlowTurbo reaches an FID of 2.12 on ImageNet with 100 (ms / img) and FID of 3.93 with 38 (ms / img), achieving the real-time image generation and establishing the new state-of-the-art. Code is available at https://github.com/shiml20/FlowTurbo.

Modeling stochastic dynamics from discrete observations is a key interdisciplinary challenge. Existing methods often fail to estimate the continuous evolution of probability densities from trajectories or face the curse of dimensionality. To address these limitations, we presents a novel paradigm: modeling dynamics directly in the weight space of a neural network by projecting the evolving probability distribution. We first theoretically establish the connection between dynamic optimal transport in measure space and an equivalent energy functional in weight space. Subsequently, we design WeightFlow, which constructs the neural network weights into a graph and learns its evolution via a graph controlled differential equation. Experiments on interdisciplinary datasets demonstrate that WeightFlow improves performance by an average of 43.02\% over state-of-the-art methods, providing an effective and scalable solution for modeling high-dimensional stochastic dynamics.

Normalising Flows are non-parametric statistical models characterised by their dual capabilities of density estimation and generation. This duality requires an inherently invertible architecture. However, the requirement of invertibility imposes constraints on their expressiveness, necessitating a large number of parameters and innovative architectural designs to achieve good results. Whilst flow-based models predominantly rely on neural-network-based transformations for expressive designs, alternative transformation methods have received limited attention. In this work, we present Ferumal flow, a novel kernelised normalising flow paradigm that integrates kernels into the framework. Our results demonstrate that a kernelised flow can yield competitive or superior results compared to neural network-based flows whilst maintaining parameter efficiency. Kernelised flows excel especially in the low-data regime, enabling flexible non-parametric density estimation in applications with sparse data availability.

Program source code contains complex structure information, which can be represented in structured data forms like trees or graphs. To acquire the structural information in source code, most existing researches use abstract syntax trees (AST). A group of works add additional edges to ASTs to convert source code into graphs and use graph neural networks to learn representations for program graphs. Although these works provide additional control or data flow information to ASTs for downstream tasks, they neglect an important aspect of structure information in AST itself: the different types of nodes and edges. In ASTs, different nodes contain different kinds of information like variables or control flow, and the relation between a node and all its children can also be different. To address the information of node and edge types, we bring the idea of heterogeneous graphs to learning on source code and present a new formula of building heterogeneous program graphs from ASTs with additional type information for nodes and edges. We use the ASDL grammar of programming language to define the node and edge types of program graphs. Then we use heterogeneous graph neural networks to learn on these graphs. We evaluate our approach on two tasks: code comment generation and method naming. Both tasks require reasoning on the semantics of complete code snippets. Experiment results show that our approach outperforms baseline models, including homogeneous graph-based models, showing that leveraging the type information of nodes and edges in program graphs can help in learning program semantics.

Efforts to overcome catastrophic forgetting have primarily centered around developing more effective Continual Learning (CL) methods. In contrast, less attention was devoted to analyzing the role of network architecture design (e.g., network depth, width, and components) in contributing to CL. This paper seeks to bridge this gap between network architecture design and CL, and to present a holistic study on the impact of network architectures on CL. This work considers architecture design at the network scaling level, i.e., width and depth, and also at the network components, i.e., skip connections, global pooling layers, and down-sampling. In both cases, we first derive insights through systematically exploring how architectural designs affect CL. Then, grounded in these insights, we craft a specialized search space for CL and further propose a simple yet effective ArchCraft method to steer a CL-friendly architecture, namely, this method recrafts AlexNet/ResNet into AlexAC/ResAC. Experimental validation across various CL settings and scenarios demonstrates that improved architectures are parameter-efficient, achieving state-of-the-art performance of CL while being 86%, 61%, and 97% more compact in terms of parameters than the naive CL architecture in Task IL and Class IL. Code is available at https://github.com/byyx666/ArchCraft.

Recent work has shown that leveraging learned predictions can improve the running time of algorithms for bipartite matching and similar combinatorial problems. In this work, we build on this idea to improve the performance of the widely used Ford-Fulkerson algorithm for computing maximum flows by seeding Ford-Fulkerson with predicted flows. Our proposed method offers strong theoretical performance in terms of the quality of the prediction. We then consider image segmentation, a common use-case of flows in computer vision, and complement our theoretical analysis with strong empirical results.

We present FrameFlow, a method for fast protein backbone generation using SE(3) flow matching. Specifically, we adapt FrameDiff, a state-of-the-art diffusion model, to the flow-matching generative modeling paradigm. We show how flow matching can be applied on SE(3) and propose modifications during training to effectively learn the vector field. Compared to FrameDiff, FrameFlow requires five times fewer sampling timesteps while achieving two fold better designability. The ability to generate high quality protein samples at a fraction of the cost of previous methods paves the way towards more efficient generative models in de novo protein design.

Recently, Flow Matching models have pushed the boundaries of high-fidelity data generation across a wide range of domains. It typically employs a single large network to learn the entire generative trajectory from noise to data. Despite their effectiveness, this design struggles to capture distinct signal characteristics across timesteps simultaneously and incurs substantial inference costs due to the iterative evaluation of the entire model. To address these limitations, we propose Blockwise Flow Matching (BFM), a novel framework that partitions the generative trajectory into multiple temporal segments, each modeled by smaller but specialized velocity blocks. This blockwise design enables each block to specialize effectively in its designated interval, improving inference efficiency and sample quality. To further enhance generation fidelity, we introduce a Semantic Feature Guidance module that explicitly conditions velocity blocks on semantically rich features aligned with pretrained representations. Additionally, we propose a lightweight Feature Residual Approximation strategy that preserves semantic quality while significantly reducing inference cost. Extensive experiments on ImageNet 256x256 demonstrate that BFM establishes a substantially improved Pareto frontier over existing Flow Matching methods, achieving 2.1x to 4.9x accelerations in inference complexity at comparable generation performance. Code is available at https://github.com/mlvlab/BFM.

Deep research is an inherently challenging task that demands both breadth and depth of thinking. It involves navigating diverse knowledge spaces and reasoning over complex, multi-step dependencies, which presents substantial challenges for agentic systems. To address this, we propose FlowSearch, a multi-agent framework that actively constructs and evolves a dynamic structured knowledge flow to drive subtask execution and reasoning. FlowSearch is capable of strategically planning and expanding the knowledge flow to enable parallel exploration and hierarchical task decomposition, while also adjusting the knowledge flow in real time based on feedback from intermediate reasoning outcomes and insights. FlowSearch achieves state-of-the-art performance on both general and scientific benchmarks, including GAIA, HLE, GPQA and TRQA, demonstrating its effectiveness in multi-disciplinary research scenarios and its potential to advance scientific discovery. The code is available at https://github.com/Alpha-Innovator/InternAgent.

As large language models (LLMs) grow in scale and specialization, routing--selecting the best model for a given input--has become essential for efficient and effective deployment. While recent methods rely on complex learned routing strategies, their dependence on disparate training data and evaluation setups makes comparison and generalization difficult. In this work, we revisit LLM routing through the lens of simplicity. We show that a well-tuned k-Nearest Neighbors (kNN) approach not only matches but often outperforms state-of-the-art learned routers across diverse tasks. To support systematic evaluation, we introduce a suite of standardized routing benchmarks spanning instruction-following, question-answering, and reasoning tasks, as well as the first multi-modal routing dataset involving visual inputs. Our findings reveal that the locality properties of model performance in embedding space enable simple non-parametric methods to achieve strong routing decisions with lower sample complexity than parametric approaches. This challenges the prevailing trend toward sophisticated architectures and highlights the importance of thoroughly evaluating simple baselines before investing in complex solutions. To support reproducibility and further exploration, we will release all benchmarks and code upon publication.

The growing popularity of generative flow networks (GFlowNets or GFNs) from a range of researchers with diverse backgrounds and areas of expertise necessitates a library that facilitates the testing of new features (e.g., training losses and training policies) against standard benchmark implementations, or on a set of common environments. We present torchgfn, a PyTorch library that aims to address this need. Its core contribution is a modular and decoupled architecture which treats environments, neural network modules, and training objectives as interchangeable components. This provides users with a simple yet powerful API to facilitate rapid prototyping and novel research. Multiple examples are provided, replicating and unifying published results. The library is available on GitHub (https://github.com/GFNOrg/torchgfn) and on pypi (https://pypi.org/project/torchgfn/).

This paper introduces Bayesian Flow Networks (BFNs), a new class of generative model in which the parameters of a set of independent distributions are modified with Bayesian inference in the light of noisy data samples, then passed as input to a neural network that outputs a second, interdependent distribution. Starting from a simple prior and iteratively updating the two distributions yields a generative procedure similar to the reverse process of diffusion models; however it is conceptually simpler in that no forward process is required. Discrete and continuous-time loss functions are derived for continuous, discretised and discrete data, along with sample generation procedures. Notably, the network inputs for discrete data lie on the probability simplex, and are therefore natively differentiable, paving the way for gradient-based sample guidance and few-step generation in discrete domains such as language modelling. The loss function directly optimises data compression and places no restrictions on the network architecture. In our experiments BFNs achieve competitive log-likelihoods for image modelling on dynamically binarized MNIST and CIFAR-10, and outperform all known discrete diffusion models on the text8 character-level language modelling task.

Critical peer review of scientific manuscripts presents a significant challenge for Large Language Models (LLMs), partly due to data limitations and the complexity of expert reasoning. This report introduces Persistent Workflow Prompting (PWP), a potentially broadly applicable prompt engineering methodology designed to bridge this gap using standard LLM chat interfaces (zero-code, no APIs). We present a proof-of-concept PWP prompt for the critical analysis of experimental chemistry manuscripts, featuring a hierarchical, modular architecture (structured via Markdown) that defines detailed analysis workflows. We develop this PWP prompt through iterative application of meta-prompting techniques and meta-reasoning aimed at systematically codifying expert review workflows, including tacit knowledge. Submitted once at the start of a session, this PWP prompt equips the LLM with persistent workflows triggered by subsequent queries, guiding modern reasoning LLMs through systematic, multimodal evaluations. Demonstrations show the PWP-guided LLM identifying major methodological flaws in a test case while mitigating LLM input bias and performing complex tasks, including distinguishing claims from evidence, integrating text/photo/figure analysis to infer parameters, executing quantitative feasibility checks, comparing estimates against claims, and assessing a priori plausibility. To ensure transparency and facilitate replication, we provide full prompts, detailed demonstration analyses, and logs of interactive chats as supplementary resources. Beyond the specific application, this work offers insights into the meta-development process itself, highlighting the potential of PWP, informed by detailed workflow formalization, to enable sophisticated analysis using readily available LLMs for complex scientific tasks.

It has been shown that a message passing neural networks (MPNNs), a popular family of neural networks for graph-structured data, are at most as expressive as the first-order Weisfeiler-Leman (1-WL) graph isomorphism test, which has motivated the development of more expressive architectures. In this work, we analyze if the limited expressiveness is actually a limiting factor for MPNNs and other WL-based models in standard graph datasets. Interestingly, we find that the expressiveness of WL is sufficient to identify almost all graphs in most datasets. Moreover, we find that the classification accuracy upper bounds are often close to 100\%. Furthermore, we find that simple WL-based neural networks and several MPNNs can be fitted to several datasets. In sum, we conclude that the performance of WL/MPNNs is not limited by their expressiveness in practice.

Large Language Models (LLMs) typically generate outputs token by token using a fixed compute budget, leading to inefficient resource utilization. To address this shortcoming, recent advancements in mixture of expert (MoE) models, speculative decoding, and early exit strategies leverage the insight that computational demands can vary significantly based on the complexity and nature of the input. However, identifying optimal routing patterns for dynamic execution remains an open challenge, limiting the full potential of these adaptive methods. To address this need, we study adaptive computation in LLMs more systematically. We propose a novel framework that integrates smaller auxiliary modules within each Feed-Forward Network layer of the LLM. This design enables dynamic routing of tokens based on task complexity: tokens can be processed by either the small or big modules at each layer, or even bypass certain layers entirely. This allows us to introduce a novel notion of a token's difficulty, defined by its potential to benefit from additional computational resources. Importantly, by employing oracles to identify optimal patterns of adaptive computations, we gain valuable insights into the internal workings of LLMs and the routing processes in a simplified heterogeneous MoE setup. We show that trained routers operate differently from oracles and often yield suboptimal solutions. Notably, activating a large module in just one layer outperforms models that use large modules across all layers, underscoring the gap between practical implementations of routing in MoE models and theoretical optima for adaptive computation.

In recent years, graph representation learning has undergone a paradigm shift, driven by the emergence and proliferation of graph neural networks (GNNs) and their heterogeneous counterparts. Heterogeneous GNNs have shown remarkable success in extracting low-dimensional embeddings from complex graphs that encompass diverse entity types and relationships. While meta-path-based techniques have long been recognized for their ability to capture semantic affinities among nodes, their dependence on manual specification poses a significant limitation. In contrast, matrix-focused methods accelerate processing by utilizing structural cues but often overlook contextual richness. In this paper, we challenge the current paradigm by introducing ontology as a fundamental semantic primitive within complex graphs. Our goal is to integrate the strengths of both matrix-centric and meta-path-based approaches into a unified framework. We propose perturbation Ontology-based Graph Attention Networks (POGAT), a novel methodology that combines ontology subgraphs with an advanced self-supervised learning paradigm to achieve a deep contextual understanding. The core innovation of POGAT lies in our enhanced homogeneous perturbing scheme designed to generate rigorous negative samples, encouraging the model to explore minimal contextual features more thoroughly. Through extensive empirical evaluations, we demonstrate that POGAT significantly outperforms state-of-the-art baselines, achieving a groundbreaking improvement of up to 10.78\% in F1-score for the critical task of link prediction and 12.01\% in Micro-F1 for the critical task of node classification.

This paper studies the problem of embedding very large information networks into low-dimensional vector spaces, which is useful in many tasks such as visualization, node classification, and link prediction. Most existing graph embedding methods do not scale for real world information networks which usually contain millions of nodes. In this paper, we propose a novel network embedding method called the "LINE," which is suitable for arbitrary types of information networks: undirected, directed, and/or weighted. The method optimizes a carefully designed objective function that preserves both the local and global network structures. An edge-sampling algorithm is proposed that addresses the limitation of the classical stochastic gradient descent and improves both the effectiveness and the efficiency of the inference. Empirical experiments prove the effectiveness of the LINE on a variety of real-world information networks, including language networks, social networks, and citation networks. The algorithm is very efficient, which is able to learn the embedding of a network with millions of vertices and billions of edges in a few hours on a typical single machine. The source code of the LINE is available online.

Recent AI-based 3D content creation has largely evolved along two paths: feed-forward image-to-3D reconstruction approaches and 3D generative models trained with 2D or 3D supervision. In this work, we show that existing feed-forward reconstruction methods can serve as effective latent encoders for training 3D generative models, thereby bridging these two paradigms. By reusing powerful pre-trained reconstruction models, we avoid computationally expensive encoder network training and obtain rich 3D latent features for generative modeling for free. However, the latent spaces of reconstruction models are not well-suited for generative modeling due to their unstructured nature. To enable flow-based model training on these latent features, we develop post-processing pipelines, including protocols to standardize the features and spatial weighting to concentrate on important regions. We further incorporate a 2D image space perceptual rendering loss to handle the high-dimensional latent spaces. Finally, we propose a multi-stream transformer-based rectified flow architecture to achieve linear scaling and high-quality text-conditioned 3D generation. Our framework leverages the advancements of feed-forward reconstruction models to enhance the scalability of 3D generative modeling, achieving both high computational efficiency and state-of-the-art performance in text-to-3D generation.

The performance of a language model has been shown to be effectively modeled as a power-law in its parameter count. Here we study the scaling behaviors of Routing Networks: architectures that conditionally use only a subset of their parameters while processing an input. For these models, parameter count and computational requirement form two independent axes along which an increase leads to better performance. In this work we derive and justify scaling laws defined on these two variables which generalize those known for standard language models and describe the performance of a wide range of routing architectures trained via three different techniques. Afterwards we provide two applications of these laws: first deriving an Effective Parameter Count along which all models scale at the same rate, and then using the scaling coefficients to give a quantitative comparison of the three routing techniques considered. Our analysis derives from an extensive evaluation of Routing Networks across five orders of magnitude of size, including models with hundreds of experts and hundreds of billions of parameters.

Large Language Model (LLM)-empowered multi-agent systems extend the cognitive boundaries of individual agents through disciplined collaboration and interaction, while constructing these systems often requires labor-intensive manual designs. Despite the availability of methods to automate the design of agentic workflows, they typically seek to identify a static, complex, one-size-fits-all system, which, however, fails to dynamically allocate inference resources based on the difficulty and domain of each query. To address this challenge, we shift away from the pursuit of a monolithic agentic system, instead optimizing the agentic supernet, a probabilistic and continuous distribution of agentic architectures. We introduce MaAS, an automated framework that samples query-dependent agentic systems from the supernet, delivering high-quality solutions and tailored resource allocation (e.g., LLM calls, tool calls, token cost). Comprehensive evaluation across six benchmarks demonstrates that MaAS (I) requires only 6sim45% of the inference costs of existing handcrafted or automated multi-agent systems, (II) surpasses them by 0.54%sim11.82%, and (III) enjoys superior cross-dataset and cross-LLM-backbone transferability.

In this work, we present a new network design paradigm. Our goal is to help advance the understanding of network design and discover design principles that generalize across settings. Instead of focusing on designing individual network instances, we design network design spaces that parametrize populations of networks. The overall process is analogous to classic manual design of networks, but elevated to the design space level. Using our methodology we explore the structure aspect of network design and arrive at a low-dimensional design space consisting of simple, regular networks that we call RegNet. The core insight of the RegNet parametrization is surprisingly simple: widths and depths of good networks can be explained by a quantized linear function. We analyze the RegNet design space and arrive at interesting findings that do not match the current practice of network design. The RegNet design space provides simple and fast networks that work well across a wide range of flop regimes. Under comparable training settings and flops, the RegNet models outperform the popular EfficientNet models while being up to 5x faster on GPUs.

In this paper, we present LiGNN, a deployed large-scale Graph Neural Networks (GNNs) Framework. We share our insight on developing and deployment of GNNs at large scale at LinkedIn. We present a set of algorithmic improvements to the quality of GNN representation learning including temporal graph architectures with long term losses, effective cold start solutions via graph densification, ID embeddings and multi-hop neighbor sampling. We explain how we built and sped up by 7x our large-scale training on LinkedIn graphs with adaptive sampling of neighbors, grouping and slicing of training data batches, specialized shared-memory queue and local gradient optimization. We summarize our deployment lessons and learnings gathered from A/B test experiments. The techniques presented in this work have contributed to an approximate relative improvements of 1% of Job application hearing back rate, 2% Ads CTR lift, 0.5% of Feed engaged daily active users, 0.2% session lift and 0.1% weekly active user lift from people recommendation. We believe that this work can provide practical solutions and insights for engineers who are interested in applying Graph neural networks at large scale.

Model routing allocates queries to the suitable model, improving system performance while reducing costs. However, existing routing methods face practical limitations that hinder scalability in large-scale applications and struggle to keep up with the rapid growth of the large language model (LLM) ecosystem. To tackle these challenges, we propose TagRouter, a training-free model routing method designed to optimize the synergy among multiple LLMs for open-domain text generation tasks. Experimental results demonstrate that TagRouter outperforms 13 baseline methods, increasing the accept rate of system by 6.15% and reducing costs by 17.20%, achieving optimal cost-efficiency. Our findings provides the LLM community with an efficient and scalable solution for model ensembling, offering users an evolvable "super model."

AI-generated content has evolved from monolithic models to modular workflows, particularly on platforms like ComfyUI, enabling customization in creative pipelines. However, crafting effective workflows requires great expertise to orchestrate numerous specialized components, presenting a steep learning curve for users. To address this challenge, we introduce ComfyUI-R1, the first large reasoning model for automated workflow generation. Starting with our curated dataset of 4K workflows, we construct long chain-of-thought (CoT) reasoning data, including node selection, workflow planning, and code-level workflow representation. ComfyUI-R1 is trained through a two-stage framework: (1) CoT fine-tuning for cold start, adapting models to the ComfyUI domain; (2) reinforcement learning for incentivizing reasoning capability, guided by a fine-grained rule-metric hybrid reward, ensuring format validity, structural integrity, and node-level fidelity. Experiments show that our 7B-parameter model achieves a 97\% format validity rate, along with high pass rate, node-level and graph-level F1 scores, significantly surpassing prior state-of-the-art methods that employ leading closed-source models such as GPT-4o and Claude series. Further analysis highlights the critical role of the reasoning process and the advantage of transforming workflows into code. Qualitative comparison reveals our strength in synthesizing intricate workflows with diverse nodes, underscoring the potential of long CoT reasoning in AI art creation.

Normalizing flows are powerful non-parametric statistical models that function as a hybrid between density estimators and generative models. Current learning algorithms for normalizing flows assume that data points are sampled independently, an assumption that is frequently violated in practice, which may lead to erroneous density estimation and data generation. We propose a likelihood objective of normalizing flows incorporating dependencies between the data points, for which we derive a flexible and efficient learning algorithm suitable for different dependency structures. We show that respecting dependencies between observations can improve empirical results on both synthetic and real-world data, and leads to higher statistical power in a downstream application to genome-wide association studies.

The problem of predicting node properties (e.g., node classes) in graphs has received significant attention due to its broad range of applications. Graphs from real-world datasets often evolve over time, with newly emerging edges and dynamically changing node properties, posing a significant challenge for this problem. In response, temporal graph neural networks (TGNNs) have been developed to predict dynamic node properties from a stream of emerging edges. However, our analysis reveals that most TGNN-based methods are (a) far less effective without proper node features and, due to their complex model architectures, (b) vulnerable to distribution shifts. In this paper, we propose SPLASH, a simple yet powerful method for predicting node properties on edge streams under distribution shifts. Our key contributions are as follows: (1) we propose feature augmentation methods and an automatic feature selection method for edge streams, which improve the effectiveness of TGNNs, (2) we propose a lightweight MLP-based TGNN architecture that is highly efficient and robust under distribution shifts, and (3) we conduct extensive experiments to evaluate the accuracy, efficiency, generalization, and qualitative performance of the proposed method and its competitors on dynamic node classification, dynamic anomaly detection, and node affinity prediction tasks across seven real-world datasets.

We introduce SymbolicAI, a versatile and modular framework employing a logic-based approach to concept learning and flow management in generative processes. SymbolicAI enables the seamless integration of generative models with a diverse range of solvers by treating large language models (LLMs) as semantic parsers that execute tasks based on both natural and formal language instructions, thus bridging the gap between symbolic reasoning and generative AI. We leverage probabilistic programming principles to tackle complex tasks, and utilize differentiable and classical programming paradigms with their respective strengths. The framework introduces a set of polymorphic, compositional, and self-referential operations for data stream manipulation, aligning LLM outputs with user objectives. As a result, we can transition between the capabilities of various foundation models endowed with zero- and few-shot learning capabilities and specialized, fine-tuned models or solvers proficient in addressing specific problems. In turn, the framework facilitates the creation and evaluation of explainable computational graphs. We conclude by introducing a quality measure and its empirical score for evaluating these computational graphs, and propose a benchmark that compares various state-of-the-art LLMs across a set of complex workflows. We refer to the empirical score as the "Vector Embedding for Relational Trajectory Evaluation through Cross-similarity", or VERTEX score for short. The framework codebase and benchmark are linked below.

Most contemporary neural learning systems rely on epoch-based optimization and repeated access to historical data, implicitly assuming reversible computation. In contrast, real-world environments often present information as irreversible streams, where inputs cannot be replayed or revisited. Under such conditions, conventional architectures degrade into reactive filters lacking long-horizon coherence. This paper introduces Stream Neural Networks (StNN), an execution paradigm designed for irreversible input streams. StNN operates through a stream-native execution algorithm, the Stream Network Algorithm (SNA), whose fundamental unit is the stream neuron. Each stream neuron maintains a persistent temporal state that evolves continuously across inputs. We formally establish three structural guarantees: (1) stateless mappings collapse under irreversibility and cannot encode temporal dependencies; (2) persistent state dynamics remain bounded under mild activation constraints; and (3) the state transition operator is contractive for λ < 1, ensuring stable long-horizon execution. Empirical phase-space analysis and continuous tracking experiments validate these theoretical results. The execution principles introduced in this work define a minimal substrate for neural computation under irreversible streaming constraints.

Large Language Models (LLMs), with their exceptional ability to handle a wide range of tasks, have driven significant advancements in tackling reasoning and planning tasks, wherein decomposing complex problems into executable workflows is a crucial step in this process. Existing workflow evaluation frameworks either focus solely on holistic performance or suffer from limitations such as restricted scenario coverage, simplistic workflow structures, and lax evaluation standards. To this end, we introduce WorFBench, a unified workflow generation benchmark with multi-faceted scenarios and intricate graph workflow structures. Additionally, we present WorFEval, a systemic evaluation protocol utilizing subsequence and subgraph matching algorithms to accurately quantify the LLM agent's workflow generation capabilities. Through comprehensive evaluations across different types of LLMs, we discover distinct gaps between the sequence planning capabilities and graph planning capabilities of LLM agents, with even GPT-4 exhibiting a gap of around 15%. We also train two open-source models and evaluate their generalization abilities on held-out tasks. Furthermore, we observe that the generated workflows can enhance downstream tasks, enabling them to achieve superior performance with less time during inference. Code and dataset will be available at https://github.com/zjunlp/WorFBench.

Augmenting large language models (LLMs) with external tools has emerged as a promising approach to extend their utility, empowering them to solve practical tasks. Existing work typically empowers LLMs as tool users with a manually designed workflow, where the LLM plans a series of tools in a step-by-step manner, and sequentially executes each tool to obtain intermediate results until deriving the final answer. However, they suffer from two challenges in realistic scenarios: (1) The handcrafted control flow is often ad-hoc and constraints the LLM to local planning; (2) The LLM is instructed to use only manually demonstrated tools or well-trained Python functions, which limits its generalization to new tools. In this work, we first propose Automatic Tool Chain (ATC), a framework that enables the LLM to act as a multi-tool user, which directly utilizes a chain of tools through programming. To scale up the scope of the tools, we next propose a black-box probing method. This further empowers the LLM as a tool learner that can actively discover and document tool usages, teaching themselves to properly master new tools. For a comprehensive evaluation, we build a challenging benchmark named ToolFlow, which diverges from previous benchmarks by its long-term planning scenarios and complex toolset. Experiments on both existing datasets and ToolFlow illustrate the superiority of our framework. Analysis on different settings also validates the effectiveness and the utility of our black-box probing algorithm.

The rapidly evolving field of Robotic Process Automation (RPA) has made significant strides in automating repetitive processes, yet its effectiveness diminishes in scenarios requiring spontaneous or unpredictable tasks demanded by users. This paper introduces a novel approach, FlowMind, leveraging the capabilities of Large Language Models (LLMs) such as Generative Pretrained Transformer (GPT), to address this limitation and create an automatic workflow generation system. In FlowMind, we propose a generic prompt recipe for a lecture that helps ground LLM reasoning with reliable Application Programming Interfaces (APIs). With this, FlowMind not only mitigates the common issue of hallucinations in LLMs, but also eliminates direct interaction between LLMs and proprietary data or code, thus ensuring the integrity and confidentiality of information - a cornerstone in financial services. FlowMind further simplifies user interaction by presenting high-level descriptions of auto-generated workflows, enabling users to inspect and provide feedback effectively. We also introduce NCEN-QA, a new dataset in finance for benchmarking question-answering tasks from N-CEN reports on funds. We used NCEN-QA to evaluate the performance of workflows generated by FlowMind against baseline and ablation variants of FlowMind. We demonstrate the success of FlowMind, the importance of each component in the proposed lecture recipe, and the effectiveness of user interaction and feedback in FlowMind.

We propose a principled and effective framework for one-step generative modeling. We introduce the notion of average velocity to characterize flow fields, in contrast to instantaneous velocity modeled by Flow Matching methods. A well-defined identity between average and instantaneous velocities is derived and used to guide neural network training. Our method, termed the MeanFlow model, is self-contained and requires no pre-training, distillation, or curriculum learning. MeanFlow demonstrates strong empirical performance: it achieves an FID of 3.43 with a single function evaluation (1-NFE) on ImageNet 256x256 trained from scratch, significantly outperforming previous state-of-the-art one-step diffusion/flow models. Our study substantially narrows the gap between one-step diffusion/flow models and their multi-step predecessors, and we hope it will motivate future research to revisit the foundations of these powerful models.

Generating new molecules is fundamental to advancing critical applications such as drug discovery and material synthesis. Flows can generate molecules effectively by inverting the encoding process, however, existing flow models either require artifactual dequantization or specific node/edge orderings, lack desiderata such as permutation invariance, or induce discrepancy between the encoding and the decoding steps that necessitates post hoc validity correction. We circumvent these issues with novel continuous normalizing E(3)-equivariant flows, based on a system of node ODEs coupled as a graph PDE, that repeatedly reconcile locally toward globally aligned densities. Our models can be cast as message-passing temporal networks, and result in superlative performance on the tasks of density estimation and molecular generation. In particular, our generated samples achieve state-of-the-art on both the standard QM9 and ZINC250K benchmarks.

Flow-based generative models (Dinh et al., 2014) are conceptually attractive due to tractability of the exact log-likelihood, tractability of exact latent-variable inference, and parallelizability of both training and synthesis. In this paper we propose Glow, a simple type of generative flow using an invertible 1x1 convolution. Using our method we demonstrate a significant improvement in log-likelihood on standard benchmarks. Perhaps most strikingly, we demonstrate that a generative model optimized towards the plain log-likelihood objective is capable of efficient realistic-looking synthesis and manipulation of large images. The code for our model is available at https://github.com/openai/glow

Graph Neural Networks (GNNs) have been extensively used for mining graph-structured data with impressive performance. However, because these traditional GNNs do not distinguish among various downstream tasks, embeddings embedded by them are not always effective. Intuitively, paths in a graph imply different semantics for different downstream tasks. Inspired by this, we design a novel GNN solution, namely Customized Graph Neural Network with Path Reweighting (CustomGNN for short). Specifically, the proposed CustomGNN can automatically learn the high-level semantics for specific downstream tasks to highlight semantically relevant paths as well to filter out task-irrelevant noises in a graph. Furthermore, we empirically analyze the semantics learned by CustomGNN and demonstrate its ability to avoid the three inherent problems in traditional GNNs, i.e., over-smoothing, poor robustness, and overfitting. In experiments with the node classification task, CustomGNN achieves state-of-the-art accuracies on three standard graph datasets and four large graph datasets. The source code of the proposed CustomGNN is available at https://github.com/cjpcool/CustomGNN.

We tackle the problem of sampling from intractable high-dimensional density functions, a fundamental task that often appears in machine learning and statistics. We extend recent sampling-based approaches that leverage controlled stochastic processes to model approximate samples from these target densities. The main drawback of these approaches is that the training objective requires full trajectories to compute, resulting in sluggish credit assignment issues due to use of entire trajectories and a learning signal present only at the terminal time. In this work, we present Diffusion Generative Flow Samplers (DGFS), a sampling-based framework where the learning process can be tractably broken down into short partial trajectory segments, via parameterizing an additional "flow function". Our method takes inspiration from the theory developed for generative flow networks (GFlowNets), allowing us to make use of intermediate learning signals. Through various challenging experiments, we demonstrate that DGFS achieves more accurate estimates of the normalization constant than closely-related prior methods.

Flow matching has emerged as a promising framework for training generative models, demonstrating impressive empirical performance while offering relative ease of training compared to diffusion-based models. However, this method still requires numerous function evaluations in the sampling process. To address these limitations, we introduce a self-corrected flow distillation method that effectively integrates consistency models and adversarial training within the flow-matching framework. This work is a pioneer in achieving consistent generation quality in both few-step and one-step sampling. Our extensive experiments validate the effectiveness of our method, yielding superior results both quantitatively and qualitatively on CelebA-HQ and zero-shot benchmarks on the COCO dataset. Our implementation is released at https://github.com/VinAIResearch/SCFlow

Large language models (LLMs) have demonstrated strong potential and impressive performance in automating the generation and optimization of workflows. However, existing approaches are marked by limited reasoning capabilities, high computational demands, and significant resource requirements. To address these issues, we propose DebFlow, a framework that employs a debate mechanism to optimize workflows and integrates reflexion to improve based on previous experiences. We evaluated our method across six benchmark datasets, including HotpotQA, MATH, and ALFWorld. Our approach achieved a 3\% average performance improvement over the latest baselines, demonstrating its effectiveness in diverse problem domains. In particular, during training, our framework reduces resource consumption by 37\% compared to the state-of-the-art baselines. Additionally, we performed ablation studies. Removing the Debate component resulted in a 4\% performance drop across two benchmark datasets, significantly greater than the 2\% drop observed when the Reflection component was removed. These findings strongly demonstrate the critical role of Debate in enhancing framework performance, while also highlighting the auxiliary contribution of reflexion to overall optimization.

Compiler architects increasingly look to machine learning when building heuristics for compiler optimization. The promise of automatic heuristic design, freeing the compiler engineer from the complex interactions of program, architecture, and other optimizations, is alluring. However, most machine learning methods cannot replicate even the simplest of the abstract interpretations of data flow analysis that are critical to making good optimization decisions. This must change for machine learning to become the dominant technology in compiler heuristics. To this end, we propose ProGraML - Program Graphs for Machine Learning - a language-independent, portable representation of whole-program semantics for deep learning. To benchmark current and future learning techniques for compiler analyses we introduce an open dataset of 461k Intermediate Representation (IR) files for LLVM, covering five source programming languages, and 15.4M corresponding data flow results. We formulate data flow analysis as an MPNN and show that, using ProGraML, standard analyses can be learned, yielding improved performance on downstream compiler optimization tasks.

Neural networks efficiently encode learned information within their parameters. Consequently, many tasks can be unified by treating neural networks themselves as input data. When doing so, recent studies demonstrated the importance of accounting for the symmetries and geometry of parameter spaces. However, those works developed architectures tailored to specific networks such as MLPs and CNNs without normalization layers, and generalizing such architectures to other types of networks can be challenging. In this work, we overcome these challenges by building new metanetworks - neural networks that take weights from other neural networks as input. Put simply, we carefully build graphs representing the input neural networks and process the graphs using graph neural networks. Our approach, Graph Metanetworks (GMNs), generalizes to neural architectures where competing methods struggle, such as multi-head attention layers, normalization layers, convolutional layers, ResNet blocks, and group-equivariant linear layers. We prove that GMNs are expressive and equivariant to parameter permutation symmetries that leave the input neural network functions unchanged. We validate the effectiveness of our method on several metanetwork tasks over diverse neural network architectures.

Reinforcement Learning from Human Feedback (RLHF) is widely used in Large Language Model (LLM) alignment. Traditional RL can be modeled as a dataflow, where each node represents computation of a neural network (NN) and each edge denotes data dependencies between the NNs. RLHF complicates the dataflow by expanding each node into a distributed LLM training or generation program, and each edge into a many-to-many multicast. Traditional RL frameworks execute the dataflow using a single controller to instruct both intra-node computation and inter-node communication, which can be inefficient in RLHF due to large control dispatch overhead for distributed intra-node computation. Existing RLHF systems adopt a multi-controller paradigm, which can be inflexible due to nesting distributed computation and data communication. We propose HybridFlow, which combines single-controller and multi-controller paradigms in a hybrid manner to enable flexible representation and efficient execution of the RLHF dataflow. We carefully design a set of hierarchical APIs that decouple and encapsulate computation and data dependencies in the complex RLHF dataflow, allowing efficient operation orchestration to implement RLHF algorithms and flexible mapping of the computation onto various devices. We further design a 3D-HybridEngine for efficient actor model resharding between training and generation phases, with zero memory redundancy and significantly reduced communication overhead. Our experimental results demonstrate 1.53times~20.57times throughput improvement when running various RLHF algorithms using HybridFlow, as compared with state-of-the-art baselines. HybridFlow source code will be available at https://github.com/volcengine/verl.

Although Answer Set Programming (ASP) allows constraining neural-symbolic (NeSy) systems, its employment is hindered by the prohibitive costs of computing stable models and the CPU-bound nature of state-of-the-art solvers. To this end, we propose Answer Set Networks (ASN), a NeSy solver. Based on Graph Neural Networks (GNN), ASNs are a scalable approach to ASP-based Deep Probabilistic Logic Programming (DPPL). Specifically, we show how to translate ASPs into ASNs and demonstrate how ASNs can efficiently solve the encoded problem by leveraging GPU's batching and parallelization capabilities. Our experimental evaluations demonstrate that ASNs outperform state-of-the-art CPU-bound NeSy systems on multiple tasks. Simultaneously, we make the following two contributions based on the strengths of ASNs. Namely, we are the first to show the finetuning of Large Language Models (LLM) with DPPLs, employing ASNs to guide the training with logic. Further, we show the "constitutional navigation" of drones, i.e., encoding public aviation laws in an ASN for routing Unmanned Aerial Vehicles in uncertain environments.

The discovery of extremal structures in mathematics requires navigating vast and nonconvex landscapes where analytical methods offer little guidance and brute-force search becomes intractable. We introduce FlowBoost, a closed-loop generative framework that learns to discover rare and extremal geometric structures by combining three components: (i) a geometry-aware conditional flow-matching model that learns to sample high-quality configurations, (ii) reward-guided policy optimization with action exploration that directly optimizes the generation process toward the objective while maintaining diversity, and (iii) stochastic local search for both training-data generation and final refinement. Unlike prior open-loop approaches, such as PatternBoost that retrains on filtered discrete samples, or AlphaEvolve which relies on frozen Large Language Models (LLMs) as evolutionary mutation operators, FlowBoost enforces geometric feasibility during sampling, and propagates reward signal directly into the generative model, closing the optimization loop and requiring much smaller training sets and shorter training times, and reducing the required outer-loop iterations by orders of magnitude, while eliminating dependence on LLMs. We demonstrate the framework on four geometric optimization problems: sphere packing in hypercubes, circle packing maximizing sum of radii, the Heilbronn triangle problem, and star discrepancy minimization. In several cases, FlowBoost discovers configurations that match or exceed the best known results. For circle packings, we improve the best known lower bounds, surpassing the LLM-based system AlphaEvolve while using substantially fewer computational resources.

Recent research has leveraged large language model multi-agent systems for complex problem-solving while trying to reduce the manual effort required to build them, driving the development of automated agent workflow optimization methods. However, existing methods remain inflexible due to representational limitations, a lack of adaptability, and poor scalability when relying on discrete optimization techniques. We address these challenges with ScoreFlow, a simple yet high-performance framework that leverages efficient gradient-based optimization in a continuous space. ScoreFlow incorporates Score-DPO, a novel variant of the direct preference optimization method that accounts for quantitative feedback. Across six benchmarks spanning question answering, coding, and mathematical reasoning, ScoreFlow achieves an 8.2% improvement over existing baselines. Moreover, it empowers smaller models to outperform larger ones with lower inference costs. Project: https://github.com/Gen-Verse/ScoreFlow

Graph neural networks (GNNs) have recently become the standard approach for learning with graph-structured data. Prior work has shed light into their potential, but also their limitations. Unfortunately, it was shown that standard GNNs are limited in their expressive power. These models are no more powerful than the 1-dimensional Weisfeiler-Leman (1-WL) algorithm in terms of distinguishing non-isomorphic graphs. In this paper, we propose Path Neural Networks (PathNNs), a model that updates node representations by aggregating paths emanating from nodes. We derive three different variants of the PathNN model that aggregate single shortest paths, all shortest paths and all simple paths of length up to K. We prove that two of these variants are strictly more powerful than the 1-WL algorithm, and we experimentally validate our theoretical results. We find that PathNNs can distinguish pairs of non-isomorphic graphs that are indistinguishable by 1-WL, while our most expressive PathNN variant can even distinguish between 3-WL indistinguishable graphs. The different PathNN variants are also evaluated on graph classification and graph regression datasets, where in most cases, they outperform the baseline methods.