Samplers

We introduce an amortized neural sampler that combines operator learning with flow methods for sampling. It maps SDE coefficient functions to pushforwards from a reference measure to the invariant measures, enabling efficient sampling across families of stochastic differential equations. Our framework shifts traditional sampling cost to an initial training phase, after which new SDE instances require only one encoder pass and a few ODE solver steps, independent of mixing time. To handle problems in high dimensions, we use Lagrangian trajectory sensors for the coefficient functions and cross attention in the architecture. We also theoretically establish the expressivity and resolution invariance of our framework. Experiments on 1D and 2D SDE families show competitive accuracy with substantial speedups over MCMC in regimes with slow mixing, transfer across sensor counts, and demonstration results on a 64D interacting particle SDE where traditional grid approaches are infeasible.

Embedding methods have become popular due to their scalability on link prediction and/or triple classification tasks on Knowledge Graphs (KGs). Embedding models are trained relying on both positive and negative samples of triples. However, since KGs generally contain only positive assertions, negative samples are artificially generated through negative sampling strategies, ranging from simple random corruption to more sophisticated approaches that exploit structural, semantic, or embedding information. The design and implementation of advanced negative samplers remains challenging, as most popular Knowledge Graph Embedding (KGE) libraries provide support only for basic strategies and lack a unified framework for developing more advanced and customized solutions. To address this gap, we introduce PyKEEN-NSX, an extension of PyKEEN, the popular KGE framework, that provides a modular engineered abstraction for negative sampling. The proposed architecture separates the generation of candidate negative pools, conditioned on an explicit context, from the selection strategy, enabling the development and integration of static, schema-aware and dynamic approaches within a consistent framework. Based on this abstraction, we implement six negative samplers, while remaining fully compatible with existing PyKEEN workflows and pipelines. As a proof of concept, we study negative availability across four datasets, showing that constrained pools frequently fall below the requested number of negatives, so that the encoded criterion is to a large extent replaced by the random fallback that supplements them.

While many algorithms blend reinforcement learning (RL) with counterfactual regret (CFR) methods to leverage tradeoffs in computational speed and performance, there are fewer investigations into generative sampling frameworks in game theoretic applications in incomplete information games. We extend a generative flow network framework, Adversarial Flow Networks (AFlowNets), to incomplete information games, called Information Flow Networks (IFNs). We prove that previously established constraints for generative flow networks in complete information games are inadmissible for obtaining valid densities (corresponding to player strategies) and a valid training objective. We show that our proposed generalization, IFlowNets, alleviates this issue and strictly generalizes AFlowNets. In preliminary results for three standard game environments, IFlowNets perform comparably to or better than Outcome Sampling Monte Carlo Counterfactual Regret (OSMCCFR) and standard RL-based methods in performance and speed.

In this paper, we formulate three communication tasks for empirical optimal transport: distributed coupling sampling, cost-evaluable coupling output, and scalar value-certified sampling. Our main result is a field-code compiler: any communicated transport field approximating an optimal empirical Monge map to error $η$ can be completed by sparse target-cell residuals into an exact-marginal value-certified sampler with scalar certificate $W_1(μ,ν)\leq U\leq W_1(μ,ν)+2Δ$, where $Δ$ is the public target-partition diameter. The certificate accuracy is controlled by $Δ$ alone. The field error $η$ controls residual communication under a cell-margin condition; without a margin, $η$ alone does not bound residuals. We instantiate the compiler via adaptive local-affine and tensor-product spline codes with $d(m+1)^db$ field bits in the spline case, plus residual lists charged separately. For lower bounds, exact Gap-Hamming embeddings prove certified output is hard, including a smooth cell-packing diffeomorphism family requiring $Ω(\varepsilon^{-2d/(d+4)})$ communication for any cost-evaluable, cost-certified, or value-certified protocol. The same gadgets admit zero-communication samplers, formally separating the sampler and certificate-bearing output models. These results identify the transport field as the right communicated object whenever a field code is available, primarily as a residual-sparsity tool.

Amorphous materials exhibit exceptional mechanical and functional properties, yet their rugged energy landscapes are notoriously difficult to sample. Below the glass-transition temperature, conventional molecular dynamics and Monte Carlo become inefficient because equilibration relies on rare barrier-crossing events, while data-driven generative models are constrained by scarce and biased reference ensembles. Here, we introduce ATLAS, an efficient sampler that learns a diffusion process to generate Boltzmann-distributed amorphous structures directly from a target energy function. Parameterized by an equivariant graph neural network, ATLAS generalizes across system size, temperature, and composition. By exploiting the time reversal of the diffusion process, it enables efficient estimation of thermodynamic quantities and steering toward target observables. In two-dimensional Kob-Andersen systems, ATLAS reproduces parallel tempering Markov chain Monte Carlo structural distributions, free energies and entropies, achieving below 0.2% free energy error in the low-temperature glass regime with over 500-fold fewer energy evaluations. In Cu-Zr and Cr-Co-Ni metallic glasses, ATLAS recovers experimentally observed short-range-order trends and steers structures toward prescribed order parameters and optimized bulk moduli. Moreover, composition-amortized pretraining outperforms composition-specific training from scratch, reduces inverse-design costs by several hundred-fold, and enables sampling with expensive universal machine learning interatomic potentials. Coupled to a large language model agent, ATLAS searches an eight-element space for high-entropy metallic glasses balancing stiffness and ductility, identifying a converged Pareto frontier within 480 oracle evaluations. Together, these results establish ATLAS as a foundation model for sampling, steering and designing amorphous materials.

In recent years Flow Matching has become a prominent method for generative modeling robot motion generation. In its generic form Flow Matching is an ODE-based neural sampler that is trained by regressing empirical flow fields associated with motion samples as data. However, in robot motion generation we often have additional constraints that might not be present in the collected data. The majority of current approaches train the flow on the available data and use inference-time guidance to enforce task-specific constraints. To address this mismatch, we propose \textbf{ConFlow}, a constraint-guided flow matching framework that incorporates constraint information directly into the training objective via differentiable barrier or cost functions. To address design specifications such as smoothness and boundary conditions, we propose replacing the standard Gaussian source distribution used in flow matching training with a conditional Gaussian Process. Our approach also uses infeasible demonstrations as negative supervision, improving constraint satisfaction without requiring additional expert data. Experiments on a two-robot navigation task demonstrate that ConFlow achieves lower collision rates and higher trajectory quality than standard flow matching baselines, with or without inference-time guidance. These results validate training-time constraint integration as an effective approach to closing the training--inference gap in generative motion models.

Diffusion and flow matching models generate high-quality samples, but their ODE samplers often need tens to hundreds of neural function evaluations (NFEs). This remains a practical challenge for released checkpoints, since many accelerators require additional design choices and training cost through retraining, distillation, or trajectory redesign. We investigate a different route based on $x$-prediction. During sampling, standard affine probability paths already expose $x_0$ information: an intermediate state and its path velocity determine a principled estimate of the clean sample. We formalize this property as \textbf{endpoint decodability} and show that the decoder is the minimum-MSE estimator $\mathbb{E}[x_0\mid x_t]$ under the usual $\ell_2$ objective. This yields \textbf{Truncated Jump Sampling} (TJS): stop the ODE at an early-exit time $t^*$ and return the decoded $x_0$. TJS requires no retraining, distillation, or architecture change. Across SDXL, SD3.5M, Z-Image-Turbo, and three class-conditional benchmarks, it reduces NFEs by 20--70% with near-matched quality. The analysis also shows why endpoint prediction can work without straightening the trajectory, providing inference acceleration without trajectory redesign.

We propose D2PO (Dynamic Direct Preference Optimization), a principled framework for optimizing diffusion sampling policies with respect to timestep schedules and classifier-free guidance (CFG) weights. Our work is motivated by a fundamental limitation of existing student-teacher regression frameworks; low-NFE student samplers are trained to mimic high-NFEteachers, often sacrificing high-frequency texture fidelity while preserving coarse global structures, thereby misaligning the sampler with perceptual quality. D2PO addresses this challenge by reformulating sampler optimization as a preference-based alignment problem, leveraging the Direct Preference Optimization (DPO) framework. To make DPO applicable to diffusion samplers, we model the sampling policy as an energy-based model (EBM), transforming preference comparisons into tractable energy differences. We further introduce a novel energy formulation derived directly from the pretrained score network, enabling preference evaluation in perturbed spaces that jointly capture structural consistency and fine-grained details. Moreover, we introduce dynamic preferences, where the preferred samples used for alignment progressively improve as the sampling policies are learned. This self-improving mechanism replaces rigid static teacher supervision with an iterative, preference-guided refinement process, providing progressively stronger alignment signals. Extensive experiments demonstrate that D2PO aligns diffusion samplers with perceptual quality more faithfully, unlocking the full potential of high-quality teachers and consistently outperforming conventional regression-based schedulers under low-NFE constraints.

Diffusion and Gaussian-interpolant flow-matching samplers approach data through a terminal noise floor $\varepsilon$, a singular limit for manifold-supported or rank-deficient data. We study two properties of a complete sampler specification, comprising its update rule, time grid, and terminal rule. Asymptotic preservation (AP) means a stable and consistent zero-noise discretization with a step count bounded independently of $\varepsilon$. Uniform accuracy (UA) of order $p$ means that, at numerical resolution $h$, the endpoint $W_2$ error is $O(h^p)$ with a floor-independent constant. Bounded log-noise stepping fails AP because its step count diverges. Stopping a stable base solver at a positive switching scale $a$ and appending one map fitted to the analytic normal mode restores AP. On smooth compact boundaryless manifolds, the standard map has exact-input error $O(a^2-\varepsilon^2)$ and sharp zero-floor error $Θ(a^2)$. A base solver with a floor-uniform order-$p$ estimate on the resolved interval retains that order when $a=O(h^{p/2})$, provided the terminal transfer factor remains bounded. Along exact trajectories, the posterior-mean identity $D(x(σ),σ)=x(σ)-σx'(σ)$ cancels the linear terminal defect and enables higher-order fitted maps. A three-evaluation Hermite construction is uniformly third order for exact switching-scale input over $0\le\varepsilon\le a$, and a seven-evaluation construction is fourth order at zero. We classify representative diffusion and flow-matching specifications by AP and UA. On EDM and Rectified Flow checkpoints, a paired decomposition separates base-integration from terminal-completion error and predicts held-out same-seed endpoint errors.

Few-step flow-map generators, such as consistency models and MeanFlow, accelerate sampling by directly learning long-range transport maps between noise and data. However, these models are typically deterministic, which makes them difficult to optimize with reinforcement learning (RL) post-training methods that require stochastic trajectories and well-defined likelihood ratios. Existing SDE-based stochasticization techniques are designed for velocity-based samplers with infinitesimal or finely discretized transitions, and therefore do not directly apply to long-range flow maps. In this work, we propose Flow-Map GRPO, an online RL post-training framework for deterministic few-step flow-map generators. The key component is Anchored Stochastic Flow Map Composition (ASFMC), a path-preserving stochasticization mechanism that introduces randomness through anchor-based conditional resampling while preserving the original marginal probability path of the deterministic flow map. We derive GRPO objectives for both single-time and two-time flow-map parameterizations. Experiments on few-step FLUX-based text-to-image generators, including MeanFlow and sCM, show that Flow-Map GRPO improves pretrained deterministic flow-map models across reward-based, perceptual, and task-level evaluation metrics. Our results demonstrate that deterministic few-step flow-map generators can be effectively aligned with RL post-training without modifying their original model parameterization or retraining them as native stochastic models.

Discrete flow matching (DFM) provides a principled framework for generative modeling on discrete state spaces via continuous-time Markov chain dynamics. In practice, sampling for DFM commonly employs discretizations such as $τ$-leaping, yet efficient sampling methods under a limited number of function evaluations (NFE) remain less studied. To address this gap, we propose the Time-Reparameterized Cumulative Intensity Extrapolation (TR-CIE) sampler, which aims to improve sampling quality when function evaluations are restricted. TR-CIE consists of two components. First, a schedule-based time reparameterization rescales the time grid according to the noise schedule. Under standard factorized DFM rate parameterizations, this transformation of variables absorbs the schedule-dependent growth term and mitigates stiffness near the terminal sampling stage. Second, we introduce a cumulative-intensity extrapolation updating rule. By reusing cached model outputs from the previous step as a history term, this improves the approximation of stepwise cumulative intensities on the resulting non-uniform time grid. We provide a theoretical analysis that bounds the local approximation error of cumulative intensities and establishes convergence results. The resulting sampler requires one NFE per step and introduces no additional model evaluations compared to the standard $τ$-leaping sampler. Extensive experiments on synthetic tasks, text generation, and text-to-image benchmarks demonstrate that our method improves sampling quality under limited NFE.

In this paper, we propose using random walks on graphs as a verifiable sandbox to study different parallel sampling strategies in masked diffusion models (MDMs). We train an MDM on random walk samples from a fixed graph. The graph or the transition kernel is never shown to the model explicitly and plays the role of latent structure in the sequences, albeit one that is controllable and can be used for quantitative evaluation. Thus, this framework enjoys a Sudoku-like validity check: verifying that an output is a valid walk and estimating the Markov kernel from the walks to measure distribution fidelity. Using simple graphs, we theoretically prove that parallel unmasking via widely used scores like lowest entropy is not uniformly better than a random parallel sampler; the performance critically depends on the structure of the underlying graph. We develop a new bisection sampler for random walks, which takes logarithmic steps in the sequence length and is provably exact under perfect training. Experiments on various graph walk tasks show that different parallel samplers are better for different graphs even in practice. Our initial experiments on a pretrained OpenWebText MDM show that the bisection-style samplers improve speed-quality tradeoffs even for language generation. Together, these results position graph random walks as a mechanistic benchmark for diagnosing and designing parallel samplers for masked diffusion models.

We introduce StaminaBench, a benchmark that measures the stamina of coding agents: how many consecutive interaction turns (change requests) they can handle before failing. Unlike the prevailing fraction-of-tasks-solved metric, this matches real vibe-coding where sessions run dozens or hundreds of turns. In StaminaBench, agents implement a REST API server and modify it across a tunable number of procedurally generated follow-up change requests - 100 in our experiments, resulting in codebases of up to 6,000 lines. Tests are generated fully programmatically without LLM involvement, ensuring reproducibility and reliability; change sequences are drawn from either a hardcoded or LLM-driven sampler, both constrained to a structured action space to ensure changes are valid. The agent and the server run in an isolated environment and communicate with the benchmark through HTTP, making testing fully black-box and language-agnostic. We evaluate six agent harnesses paired with seven open-source LLMs across 20 scenarios of 100 turns each and find that: (1) all the tested models fail within 5-6 turns, confirming that vibe-coding-style programming without thorough testing produces bugs; (2) passing test feedback back to the agent and allowing it to retry improves passed turn count by up to 12x; and (3) a good harness is required for strong performance: stronger models exhibit up to a 6x gap between their best and worst harness, while weaker models fail with any harness. We release the benchmark and the generated tasks to enable further research into multi-turn coding agent behavior. Benchmark code and data: github.com/amazon-science/StaminaBench.

Sampling from complex, unnormalized probability densities is a fundamental challenge in Bayesian inference and probabilistic modeling. While Markov chain Monte Carlo (MCMC) methods provide asymptotic guarantees, they often suffer from slow mixing and high computational costs due to fixed or manually tuned trajectory lengths. In this work, we propose a novel framework that treats trajectory termination as a learnable component of the sampling dynamics. By framing MCMC within the theory of non-acyclic generative flow networks (GFlowNets), we train state-dependent neural classifiers to decide when a trajectory has reached a high-density region and should terminate. We theoretically establish the connection between optimal classifiers and the target density via detailed balance conditions and introduce a multilevel training scheme to facilitate exploration in complex geometries. Experimental results across various benchmark densities demonstrate that our approach significantly reduces average trajectory lengths while improving mode coverage and mixing compared to standard MCMC baselines.

Diffusion models have achieved impressive empirical success in generative tasks, and their convergence theory is now relatively well understood. Motivated by privacy and scalability, recent decentralized diffusion architectures replace a single global velocity field with multiple local experts and a routing mechanism, yielding a sampling dynamics with stochastic expert switching that falls outside standard diffusion convergence analyses. In this work, We study a decentralized diffusion framework with stochastic velocity fields and ODE-based sampling. We establish a convergence guarantee in Wasserstein-2 distance, showing that the distribution of the $N$-step discretization converges to the analytical solution at rate $\mathcal{O}(N^{-1/2}+\varepsilon)$ in $W_2$, where $\varepsilon$ captures the neural approximation errors. To our knowledge, this is the first $W_2$ convergence result for decentralized diffusion models with an ODE-based sampling scheme.

Continuous-state generative samplers, including diffusion and flow-matching models, evolve through continuous reverse-time dynamics, yet their samples often undergo abrupt qualitative changes: trajectories commit to modes, semantic alternatives collapse, and small perturbations in narrow time windows can produce large downstream effects. This paper develops a geometric account of such phase-transition-like behaviour. We view denoising as gradient descent on a free energy landscape and show that sharp transitions arise near projection caustics, where the nearest-point projection onto the data support ceases to be unique. Motivated by this perspective, we introduce the Critical Boundary Detector (CBD), as practical diagnostics for score-direction instability. Across toy models, standard diffusion models, and latent text-to-image diffusion models, CBD localises mode commitment, predicts intervention-sensitive windows, and supports targeted control in geometrically sensitive regions. Our results connect geometry of data and dynamics of diffusion generation.

Diffusion models provide expressive data-driven priors for Bayesian inverse problems, but many diffusion posterior samplers rely on heuristic guidance approximations that can fail for nonlinear operators and multimodal posteriors. In this work, we develop a stabilized path-space framework for diffusion-based posterior sampling. Starting from a base diffusion process whose terminal marginal represents the prior, we define a likelihood-weighted target measure on trajectories and cast posterior sampling as learning a controlled stochastic process whose path measure matches this target. This formulation connects diffusion posterior sampling to stochastic optimal control while preserving the Bayesian structure needed for uncertainty quantification. We introduce a time reparameterization that makes the path-space control problem well posed by removing the bias induced by the unknown initial value function, without auxiliary training. We then learn the control via a trust-region path-space optimization method with log-variance objectives. The path-space perspective also unifies our learned control approach with existing guidance-based samplers, quantifies the sampling error induced by approximate controls, and yields importance sampling corrections for asymptotically exact posterior expectations. We evaluate the proposed framework on a suite of benchmark inverse problems with analytically characterized or high-quality reference posteriors, enabling principled assessment of sampling accuracy and uncertainty quantification. These experiments provide insight into the behavior of diffusion-based posterior samplers and demonstrate improved accuracy and robustness over leading approaches.

Is the uniform-state diffusion framework a more powerful paradigm for discrete diffusion? Recent studies indicate that this may be the case. In combination with predictor-corrector samplers, uniform-state diffusion models (USDMs) produce samples of higher-quality than masked diffusion models (MDMs), and USDMs equal or outperform MDMs in downstream tasks, even though they exhibit greater perplexity. Two issues remain unresolved. First, existing work compares uniform and masked diffusion with un-informed correctors that re-inject noise at random positions, rather than targeting tokens most likely to be wrong. Second, prior work compares full-sequence diffusion models, so we do not know whether the same conclusion holds when tokens are generated block by block. To address these issues, we introduce BlockGen, a blockwise sequence model that we instantiate with both masked and uniform diffusion. BlockGen trains on a mixture of block sizes and its likelihood interpolates between AR and pure diffusion more finely than models with a fixed block size. BlockGen enables AR-informed predictor-corrector sampling (ARPC), which combines AR and diffusion predictions to re-generate unlikely tokens without an auxiliary verifier. Under ancestral sampling, uniform outperforms masked in the block-by-block setting, especially in the few-step regime. Under ARPC, the gap closes and reverses at high NFE. With block size $16$ on GSM8K, MDMs reach slightly higher accuracy than USDMs, and we observe a similar trend in Generative Perplexity on OpenWebText. Find our code at https://github.com/jdeschena/blockgen.

Integrating artificial intelligence (AI) into sampling-based motion planning provides new possibilities for improving autonomous navigation efficiency. In this paper, three algorithms, namely RRT*, Neural RRT*, and Neural Informed RRT*, are implemented and evaluated on environments containing convex and concave obstacles with different obstacle densities. The obtained results indicate that neural-guided planners improve path quality, producing up to 14% shorter paths and 55--75% smoother trajectories compared with the conventional RRT* algorithm. Among the evaluated methods, Neural Informed RRT* achieves the best overall performance in terms of path length and trajectory smoothness. These results demonstrate the effectiveness of AI-guided sampling strategies for improving reliability and trajectory efficiency in robotic and UAV navigation, despite a slight increase in computation time. Overall, the study highlights the growing importance of artificial intelligence in real-time robotic path planning applications.

Sampling from discrete distributions with multiple modes and energy barriers is fundamental to machine learning and computational physics. Recent discrete neural samplers like MDNS suffer from mode collapse and fail to sample high-energy barrier regions between modes, which is critical for free energy estimation and understanding phase transitions. We propose Metadynamics Discrete Neural Sampler (MetaDNS), a general framework integrating well-tempered metadynamics into discrete diffusion or autoregressive samplers. By maintaining an adaptive, history-dependent bias potential along selected low-dimensional coordinates, MetaDNS forces exploration of previously inaccessible regions, enabling free energy reconstruction infeasible with standard neural samplers due to a lack of high-energy samples. On challenging low-temperature benchmarks including Ising, Potts, and the copper-gold binary alloy, MetaDNS reproduces the thermodynamic distribution. Compared to MCMC-based metadynamics, MetaDNS also achieves comparable exploration requiring fewer bias deposition steps.

For a fixed flow-based generative model under a small inference budget, sample quality can depend strongly on where the sampler spends its few function evaluations. Flow matching and Schrödinger bridges define probability paths, yet their inference grids are usually heuristic or inherited from one-endpoint diffusion. We derive a conditional-marginal entropy-rate objective for bridge-aware discretization, separating endpoint-conditioned bridge geometry from marginal flow evolution, and use it to build a training-free entropic inference-time scheduler from first principles. For Gaussian Brownian bridges this rate is closed-form and U-shaped, motivating boundary-heavy nonuniform grids. On trained two-dimensional bridge/flow models, the estimated profile recovers the predicted shape and improves 10-step ODE-Heun MMD over linear by 18.1%, with a paired 22.7% SDE-Heun improvement in the same low-NFE sweep. On EDM/CIFAR-10, the entropic time-discretization gives the best tested five-step FID (186.3 \pm 4.0 versus 200.5 \pm 2.9 for linear and 238.0 \pm 5.3 for cosine). On AlphaFlow protein generation, entropic conditional-marginal (cond-marg) scheduling shows advantage in low-NFE regimes on both CAMEO22 and ATLAS benchmarks. These results support entropy-rate scheduling as a practical low-budget allocation signal for high-dimensional bridge and flow samplers.

The minima of modern neural network loss functions are typically not isolated, rather they form connected components of reparameterization invariant solutions on the training data. Analytically characterizing these solutions is a hard problem, but sampling approaches are feasible. By construction, existing methods either spread over low-loss regions, and thus do not sample reparameterization invariant solutions exactly, or are inherently local, which limits exploration of other minima valleys. We propose sampling such reparameterization invariant models using a dynamical system based on kinetic energy, subject to a gravitational pull and a friction term that dissipates energy from the system. Our proposed sampler, DiMS, is guaranteed to sample exactly from the minimum level sets and depends on physically motivated hyperparameters which allows control over the exploration capabilities of the sampler. We consider uncertainty quantification in Bayesian inference as the motivating problem and observe improved performance compared to previously proposed approaches.

Autoregressive Neural Networks based on dense or convolutional layers have recently been shown to be a viable strategy for generating classical spin systems. Unlike these methods, sampling with transformers is commonly considered to be computationally inefficient. In this work, we propose a novel approach to transformer-based neural samplers in which we generate not a single spin per step but groups of spins. As an additional improvement, we construct a model of approximated probabilities, further improving the efficiency of the algorithm. Despite our approach being computationally heavier than dense networks or CNN-based approaches, we were able to sample larger systems of up to $180 \times 180$ spins in case of the Ising model. The Effective Sample Size of our sampler is $\sim 20$ times larger than that of the previous state-of-the-art neural sampler when trained for the $128 \times 128$ Ising model at critical temperature. Finally, we also test our algorithm on the 2D Edwards-Anderson model, where we train $64\times 64$ spin systems.

Language models are increasingly used to simulate people: survey respondents, negotiators, stakeholders in policy exercises. In that role a model should reproduce how people plausibly behave, hesitating, conceding late, and settling for imperfect deals, rather than playing the best move. We call this the sampler role, in contrast to the solver role of finding the best move, and we test how the reasoning modes providers ship to strengthen models as solvers affect it. Our testbed is multi-party negotiation: five agents bargain over a regulation for fifteen turns, and unresolved issues are decided by an authority. Agents without a structured memory of the negotiation almost never reach agreement, whether reasoning is on or off: 314 of 315 such runs end with the authority deciding. What reasoning changes is how the failure looks. With reasoning enabled, one model family negotiates visibly, with varied moves, concessions in most runs, and a different path every time, yet still ends without agreement in fifteen runs of fifteen. Diversity checks would pass a model whose endings never change. Two further results show the task permits agreement: when agents write their own short running notes on the negotiation, agreement becomes the norm, while the same notes supplied ready-made change nothing; and hand-coded agents following textbook concession strategies agree in most runs under identical rules. Simulation pipelines should therefore vet models as samplers, on the distributions of outcomes they produce. Fidelity as a sampler must be tested on its own: solver strength is no guide to it, and switching on reasoning leaves it where it was.

Amortized inference is the task of training a parametric model, such as a neural network, to approximate a distribution with a given unnormalized density where exact sampling is intractable. When sampling is implemented as a sequential decision-making process, reinforcement learning (RL) methods, such as generative flow networks, can be used to train the sampling policy. Off-policy RL training facilitates the discovery of diverse, high-reward candidates, but existing methods still face challenges in efficient exploration. We propose to use an adaptive training distribution (the \teacher) to guide the training of the primary amortized sampler (the \student). The \teacher, an auxiliary behavior model, is trained to sample high-loss regions of the \student and can generalize across unexplored modes, thereby enhancing mode coverage by providing an efficient training curriculum. We validate the effectiveness of this approach in a synthetic environment designed to present an exploration challenge, two diffusion-based sampling tasks, and four biochemical discovery tasks demonstrating its ability to improve sample efficiency and mode coverage. Source code is available at https://github.com/alstn12088/adaptive-teacher.

A growing body of work establishes that large language models are not mere statistical memorizers, but are capable of in-context learning: performing inference at test time using only examples provided in the prompt, without any parameter updates. Prior theoretical work has shown that this capability extends to supervised learning tasks such as linear regression. We prove that in-context learning extends further to \emph{data generation}: frozen transformers can simulate iterative generative samplers from in-context samples. We first show that transformers can realize closed-form and smoothed closed-form diffusion samplers. The construction identifies a concrete generative role for softmax attention: it computes responsibility weights and weighted empirical averages, while feedforward layers implement Euler updates. To empirically relate these constructions to pretrained language models, we study \emph{semantic-topic sampling}: prompts consisting of words drawn from a common semantic category, such as animals, foods, or cities. Across transformer layers, the normalized hidden states exhibit a two-stage geometry: they move toward a uniform spherical reference in intermediate layers and then return to structured, topic-dependent representations near the output. We further measure an interacting-particle energy on these hidden-state clouds and observe the same U-shape pattern. We then prove that transformers can approximate an energy-based sampler, constructing the same U-shape energy across the layers.