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Sampling the free energy surface, namely, the distribution of collective variables (CVs), is a crucial problem in statistical physics, as it underpins a better understanding of chemical reactions and conformational transitions. Traditional methods for free energy surface sampling involve simulation in high-dimensional configuration space and projecting the resulting configurations onto the CV space. To reduce the computational costs of such sampling, we propose FES-FM, a reduced flow matching (FM) method for free energy sampling (FES). We train a dynamical transport map in the CV space, thereby enabling direct sampling of the free energy surface. For many-particle systems, we construct a prior distribution based on the Hessian at a local minimum of the potential, which ensures both rotation-translation invariance and physically meaningful configurations. We evaluate the proposed method across a variety of potential functions and collective variables. Comparative experiments demonstrate that our approach drastically reduces computational costs while delivering superior accuracy per unit sampling time.

Flow matching (FM) trains a time-dependent vector field that transports samples from a simple prior to a complex data distribution. However, for high-dimensional images, each training sample supervises only a single trajectory and intermediate point, yielding an extremely sparse and high-variance training signal. This under-constrained supervision can cause flow collapse, where the learned dynamics memorize specific source-target pairings, mapping diverse inputs to overly similar outputs, failing to generalize. We introduce Posterior-Augmented Flow Matching (PAFM), a theoretically grounded generalization of FM that replaces single-target supervision with an expectation over an approximate posterior of valid target completions for a given intermediate state and condition. PAFM factorizes this intractable posterior into (i) the likelihood of the intermediate under a hypothesized endpoint and (ii) the prior probability of that endpoint under the condition, and uses an importance sampling scheme to construct a mixture over multiple candidate targets. We prove that PAFM yields an unbiased estimator of the original FM objective while substantially reducing gradient variance during training by aggregating information from many plausible continuation trajectories per intermediate. Finally, we show that PAFM improves over FM by up to 3.4 FID50K across different model scales (SiT-B/2 and SiT-XL/2), different architectures (SiT and MMDiT), and in both class and text conditioned benchmarks (ImageNet and CC12M), with a negligible increase in the compute overhead. Code: https://github.com/gstoica27/PAFM.git.

Learning-based MIMO detection has shown strong empirical performance, yet existing methods typically rely on fixed-depth architectures without explicitly modeling the progressive refinement of symbol estimates. In this paper, we revisit MIMO detection from a flow matching perspective and propose the Soft Graph Diffusion Transformer (SGDiT), which reformulates detection as a noise-level-conditioned denoising process that progressively transforms a Gaussian initialization toward the posterior conditioned on channel observations. An adaptive layer normalization (AdaLN)-conditioned soft graph transformer is employed to parameterize the denoising dynamics, enabling stage-aware information integration between observation and symbol domains. To better align with the discrete nature of symbol detection, we further adopt a cross-entropy-based training objective that directly models bit-wise posterior probabilities, providing a more suitable inductive bias than conventional regression-based formulations. Experimental results across various MIMO system configurations demonstrate that SGDiT achieves competitive bit error rate (BER) performance compared with representative baselines. Furthermore, the proposed model exhibits good generalization capability across different channel conditions. Overall, the SGDiT framework provides an effective and practical approach for neural MIMO detection.

Agentic AI architectures augment LLMs with external tools, unlocking strong capabilities. However, tool use is not always beneficial; some calls may be redundant or even harmful. Effective tool use, therefore, hinges on a core LLM decision: whether to call or not call a tool, when performing a task. This decision is particularly challenging for web search tools, where the benefits of external information depend on the model's internal knowledge and its ability to integrate potentially noisy tool responses. We introduce a principled framework inspired by decision-making theory to evaluate web search tool-use decisions along three key factors: necessity, utility, and affordability. Our analysis combines two complementary lenses: a normative perspective that infers true need and utility from an optimal allocation of tool calls, and a descriptive perspective that infers the model's self-perceived need and utility from their observed behaviors. We find that models' perceived need and utility of tool calls are often misaligned with their true need and utility. Building on this framework, we train lightweight estimators of need and utility based on models' hidden states. Our estimators enable simple controllers that can improve decision quality and lead to stronger task performance than the self-perceived set up across three tasks and six models.

Fine-tuning LLMs is necessary for various dedicated downstream tasks, but classic backpropagation-based fine-tuning methods require substantial GPU memory. To this end, a recent work, MeZO, which relies solely on forward passes to fine-tune LLMs, significantly reduces GPU requirements at the cost of slower convergence due to its indifference to loss landscapes. Standard solutions, such as Adam, explore loss landscapes by estimating the first- and second-order moments and storing them in memory to guide the model's movement through dimensions with lower curvature and vice versa. However, directly applying Adam negates MeZO's advantage as it will triple the memory requirement. In light of this, we propose AdaMeZO, a zeroth-order optimizer that leverages Adam-style first- and second-moment estimates without maintaining them in memory. We present a theoretical analysis of AdaMeZO, corroborated by extensive experiments demonstrating AdaMeZO's performance, showing that AdaMeZO can outperform MeZO while requiring up to $70%$ fewer forward passes. Trajectory visualizations affirm AdaMeZO's ability to adapt to diverse loss landscapes.

Mode collapse is a persistent challenge in generative modeling and appears in autoregressive text generation as behaviors ranging from explicit looping to gradual loss of diversity and premature trajectory convergence. We take a dynamical-systems view and reinterpret mode collapse as reduced state-space accessibility caused by *geometric collapse*: during generation, the model's internal trajectory becomes confined to a low-dimensional region of its representation space. This implies mode collapse is not purely a token-level phenomenon and cannot be reliably solved by symbolic constraints or probability-only decoding heuristics. Guided by this perspective, we propose *Reinforced Mode Regulation* (RMR), a lightweight, online state-space intervention that regulates dominant self-reinforcing directions in the Transformer value cache (implemented as low-rank damping). Across multiple large language models, RMR substantially reduces mode collapse and enables stable, high-quality generation at extremely low entropy rates (down to 0.8 nats/step), whereas standard decoding typically collapses near 2.0 nats/step.

Standard diffusion models for graph generation typically rely on uniform time-stepping, an approach that overlooks the non-homogeneous dynamics of distributional evolution on complex manifolds. In this paper, we present an information-geometric framework that reinterprets the diffusion sampling trajectory as a parametric curve on a Riemannian manifold. Our key observation is that the Fisher-Rao metric provides a principled measure of the intrinsic distance. By analyzing this metric, we derive the Drift Variation Score (DVS), a geometry-aware indicator that quantifies the instantaneous rate of distributional change. Unlike prior heuristic-based adaptive samplers, our DVS solver enforces a constant informational speed on the statistical manifold, automatically maintaining a uniform rate of distributional change along the sampling trajectory. This equal arc-length strategy ensures that each discretization step contributes equally to the information speed. Theoretical analysis verifies that DVS characterizes the local stiffness of the sampling dynamics in the Fisher-Rao sense. Experimental results on molecule and social network generation show that DVS significantly improves structural fidelity and sampling efficiency. Code is at https://github.com/kunzhan/DVS

This article outlines a new framework of traffic light optimization through a digital twin of the transport infrastructure, managed by agentic AI to ensure real-time autonomous decisions. The framework relies on physical sensors and edge computing to measure real-time traffic information and simulate traffic flow in a constantly updated digital twin. The traffic light is automatically controlled through the digital twin according to traffic congestion, travel delay and traffic patterns. This approach is implemented as a three-layer system: perception, conceptualization and action. The perception layer receives data on physical systems; the conceptualization layer uses LangChain to process the data; and the action layer links to the Model Context Protocol (MCP) and traffic management APIs to implement optimised traffic signal control algorithms. The results show that the framework minimizes waiting time at traffic lights and positively affects the effectiveness of the entire traffic flow, which is better than the fixed-time and reinforcement learning-based baselines.

As one of the mainstream models of artificial intelligence, world models allow agents to learn the representation of the environment for efficient prediction and planning. However, classical world models based on flat tensors face several key problems, including noise sensitivity, error accumulation and weak reasoning. To address these limitations, many recent studies use graph structure to decompose the environment into entity nodes and interactive edges, and model virtual environments in a structured space. This paper systematically formalizes and unifies these emerging graph-based works under the concept of graph world models (GWMs). To the best of our knowledge, GWMs have not yet been explicitly defined and surveyed as a unified research paradigm. Furthermore, we propose a taxonomy based on relational inductive biases (RIB), categorizing GWMs by the specific structural priors they inject: (1) spatial RIB for topological abstraction; (2) physical RIB for dynamic simulation; and (3) logical RIB for causal and semantic reasoning. For each model category, we outline the key design principles, summarize representative models, and conduct comparative analyses. We further discuss open challenges and future directions, including dynamic graph adaptation, probabilistic relational dynamics, multi-granularity inductive biases, and the need for dedicated benchmarks and evaluation metrics for GWMs.

Graph few-shot learning, which focuses on effectively learning from only a small number of labeled nodes to quickly adapt to new tasks, has garnered significant research attention. Despite recent advances in graph few-shot learning that have demonstrated promising performance, existing methods still suffer from several key limitations. First, during the meta-training phase, these methods typically perform node representation learning in Euclidean space, which often fails to capture the inherently hierarchical structure existing in real-world graph data. Second, during the meta-testing phase, they usually fit an empirical target distribution derived from only a few support samples, even when this distribution significantly deviates from the true underlying distribution. To address these issues, we propose IMPRESS, a novel framework that IMproves graPh few-shot learning with hypeRbolic spacE and denoiSing diffuSion. Specifically, our model learns node representations in a hyperbolic space and enriches the support distribution through denoising diffusion mechanisms. Theoretically, IMPRESS achieves a tighter generalization bound. Empirically, IMPRESS consistently outperforms competitive baselines across multiple benchmark datasets.

Many real-world tasks require language models (LMs) to reason over complex contexts that exceed their parametric knowledge. This calls for context learning, where LMs directly learn relevant knowledge from the given context. An intuitive solution is inference-time skill augmentation: extracting the rules and procedures from context into natural-language skills. However, constructing such skills for context learning scenarios faces two challenges: the prohibitive cost of manual skill annotation for long, technically dense contexts, and the lack of external feedback for automated skill construction, since there is no automatic signal to tell whether a proposed skill is helpful. In this paper, we propose Ctx2Skill, a self-evolving framework that autonomously discovers, refines, and selects context-specific skills without human supervision or external feedback. At its core, a multi-agent self-play loop has a Challenger that generates probing tasks and rubrics, a Reasoner that attempts to solve them guided by an evolving skill set, and a neutral Judge that provides binary feedback. Crucially, both the Challenger and the Reasoner evolve through accumulated skills: dedicated Proposer and Generator agents analyze failure cases and synthesize them into targeted skill updates for both sides, enabling automated skill discovery and refinement. To prevent adversarial collapse caused by increasingly extreme task generation and over-specialized skill accumulation, we further introduce a Cross-time Replay mechanism that identifies the skill set achieving the best balance across representative cases for the Reasoner side, ensuring robust and generalizable skill evolution. The resulting skills can be plugged into any language model to obtain better context learning capability. Evaluated on four context learning tasks from CL-bench, Ctx2Skill consistently improves solving rates across backbone models.

Recent advances in large language models (LLMs) have increasingly relied on reinforcement learning (RL) to improve their reasoning capabilities. Three approaches have been widely adopted: (i) Proximal policy optimization and advantage actor-critic rely on a deep neural network to estimate the value function of the learning policy in order to reduce the variance of the policy gradient. However, estimating and maintaining such a value network incurs substantial computational and memory overhead. (ii) Group relative policy optimization (GRPO) avoids training a value network by approximating the value function using sample averages. However, GRPO samples a large number of reasoning traces per prompt to achieve accurate value function approximation, making it computationally expensive. (iii) REINFORCE-type algorithms sample only a single reasoning trajectory per prompt, which reduces computational cost but suffers from poor sample efficiency. In this work, we focus on a practical, resource-constrained setting in which only a small number of reasoning traces can be sampled per prompt, while low-variance gradient estimation remains essential for high-quality policy learning. To address this challenge, we bring classical nonparametric statistical methods, which are both computationally and statistically efficient, to LLM reasoning. We employ kernel smoothing as a concrete example for value function estimation and the subsequent policy optimization. Numerical and theoretical results demonstrate that our proposal achieves accurate value and gradient estimation, leading to improved policy optimization.

Recent unified image generation models have achieved remarkable success by employing MLLMs for semantic understanding and diffusion backbones for image generation. However, these models remain fundamentally limited in spatially-aware tasks due to a lack of intrinsic spatial understanding and the absence of explicit geometric guidance during generation. In this paper, we propose SpatialFusion, a novel framework that internalizes 3D geometric awareness into unified image generation models. Specifically, we first employ a Mixture-of-Transformers (MoT) architecture to augment the MLLM with a parallel spatial transformer to enhance 3D geometric modeling capability. By sharing self-attention with the MLLM, the spatial transformer learns to derive metric-depth maps of target images from rich semantic contexts. These explicit geometric scaffolds are then injected into the diffusion backbone through a specialized depth adapter, providing precise spatial constraints for spatially-coherent image generation. Through a progressive two-stage training strategy, SpatialFusion significantly enhances performance on spatially-aware benchmarks, notably outperforming leading models such as GPT-4o. Additionally, it achieves generalized performance gains across both text-to-image generation and image editing scenarios, all while maintaining negligible inference overhead.

Diffusion models have achieved remarkable success in synthesizing complex static and temporal visuals, a breakthrough largely driven by Classifier-Free Guidance (CFG). However, despite its pivotal role in aligning generated content with textual prompts, standard CFG relies on a globally uniform scalar. This homogeneous amplification traps models in a well-documented "detail-artifact dilemma": low guidance scales fail to inject intricate semantics, while high scales inevitably cause structural degradation, color over-saturation, and temporal inconsistencies in videos. In this paper, we expose the physical root of this flaw through the lens of differential geometry. By analyzing Tweedie's Formula, we reveal that CFG intrinsically performs a tangential linear extrapolation. Because the natural data manifold is highly curved, this uniform linear step introduces a severe orthogonal deviation. To keep the generation trajectory safely bounded, we formulate a theoretical upper bound for spatial and adaptive guidance. Based on these geometric insights, we propose Spatial Adaptive Multi Guidance (SAMG), a training-free and virtually zero-cost sampling algorithm. SAMG dynamically computes point-wise conditional guidance energy, applying a conservative minimum scale to high-energy boundary regions to preserve delicate micro-textures, while deploying an aggressive maximum scale in low-energy regions to maximize semantic injection. Extensive experiments across diverse image (SD 1.5, SDXL, SD3.5 Medium) and video (CogVideoX, ModelScope) architectures demonstrate that SAMG effectively resolves the detail-artifact dilemma, achieving superior semantic alignment, structural integrity, and temporal smoothness without any computational overhead.

Some text generation tasks, such as Attribute Value Extraction (AVE), require decoding multiple independent sequences from the same document context. While standard autoregressive decoding is slow due to its sequential nature, the independence between output sequences offers an opportunity for parallelism. We present Hyper-Parallel Decoding, a novel decoding algorithm that accelerates offline decoding by leveraging both shared memory and computation across batches. HPD enables out-of-order token generation through position ID manipulation, significantly improving efficiency. Experiments on AVE show that attribute-value pairs are conditionally independent, enabling us to parallelize value generation within each prompt. By further stacking multiple documents within a single prompt, we can decode in parallel up to 96 tokens per prompt. HPD works with all LLMs, and reduces both inference costs and total inference time by up to 13.8X without compromising output quality, potentially saving hundreds of thousands of dollars on industry AVE tasks. Although designed for attribute extraction, HPD makes no assumptions unique to the AVE domain and can in theory be applied to other scenarios with independent output structures.

Memory-augmented LLM agents offer an appealing shortcut to continual learning: rather than updating model parameters, they accumulate experience in external memory, seemingly sidestepping the stability-plasticity dilemma of parametric learning. We show that this challenge does not disappear but resurfaces at the memory level. Under a limited context window, old and new experiences compete during retrieval, relocating the continual-learning bottleneck from parameter updates to memory access. To study this phenomenon, we introduce a (k,v) framework that disentangles two fundamental design axes of external memory: how experience is represented and how it is organized for retrieval. Across sequential-task experiments in ALFWorld and BabyAI, we find that abstract procedural memories transfer more reliably than detailed trajectories, while negative transfer disproportionately harms the hard cases. Moreover, finer-grained memory organization is not universally beneficial: designs that yield strong forward transfer can simultaneously induce severe forgetting. Together, these results reveal that external memory does not resolve the continual-learning problem; it reshapes it into a problem of memory representation and retrieval design.

We prove pathwise convergence of the layerwise evolution of tokens in a finite-depth, finite-width transformer model with MultiLayer Perceptron (MLP) blocks to a continuous-time stochastic interacting particle system. We also identify the stochastic partial differential equation describing the evolution of the tokens' distribution in this limit and prove propagation of chaos when the number of such tokens is large. The bounds we establish are quantitative and the limits we consider commute. We further prove that the limiting stochastic model displays synchronization by noise and establish exponential dissipation of the interaction energy on average, provided that the common noise is sufficiently coercive relative to the deterministic self-attention drift. We finally characterize the activation functions satisfying the former condition.

Large Language Models (LLMs) have become an integral part of many real-world workflows. However, LLMs consume a lot of energy, which becomes a large concern in the scale of the demand for these tools. As LLMs become integrated into different workflows, different applications have arisen to deal with the challenge of running inference for these tools. This raises another issue of choosing the runtime parameter values for these services in order to minimize the energy consumption. Oftentimes this requires deep knowledge of the application or traditional optimization methods that can take days to find optimal values. In this work, we created a human-in-the-loop flow with LLM-assisted runtime parameter optimization in order to solve this issue. With human-created, specific feedback prompting methods, chat-based LLMs can iteratively find energy-efficient inference parameters faster than traditional search methods. LLMs can also tailor their solutions to different hardware setups and easily take into account other system constraints. The enhanced prompt template was able to converge below the threshold at an average of 3.4 prompts compared to the baseline, which converged in an average of 5.2 prompts, and consistently achieved lower final energy per token. The enhanced prompt template also outperformed Sobol sampling in convergence speed.

Reinforcement learning (RL) has unlocked complex reasoning abilities in large language models (LLMs). However, most RL algorithms suffer from performance saturation, preventing further gains as RL training scales. This problem can be characterized by the collapse of entropy, a key diagnostic for exploration in RL. Existing attempts have tried to prevent entropy collapse through regularization or clipping, but their resulting entropy curves often exhibit instability in the long term, which hinders performance gains. In this paper, we introduce Entrocraft, a simple rejection-sampling approach that realizes any user-customized entropy schedule by biasing the advantage distributions. Entrocraft requires no objective regularization and is advantage-estimator-agnostic. Theoretically, we relate per-step entropy change to the advantage distribution under minimal assumptions, which explains the behavior of existing RL and entropy-preserving methods. Entrocraft also enables a systematic study of entropy schedules, where we find that linear annealing, which starts high and decays to a slightly lower target, performs best. Empirically, Entrocraft addresses performance saturation, significantly improving generalization, output diversity, and long-term training. It enables a 4B model to outperform an 8B baseline, sustains improvement for up to 4x longer before plateauing, and raises pass@K by 50% over the baseline.