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Soft Specialists: $α$-Rényi Ensembles for Uncertainty-Aware LLM Post-Training

arXiv.org Machine Learning

Existing training approaches for large language models learn a single set of parameters, based on large volumes of data, which is typically heterogeneous, conflicting and often outright contradictory. As a result, the model is forced to compress conflicting goals, and inherent uncertainties into a single, averaged pattern of behaviour. We propose an $α$-Rényi variational framework for learning distributions over post-training parameters, offering an uncertainty-aware alternative to deep ensemble approaches. The resulting variational objective interpolates between classical variational Bayes and predictively oriented posterior learning, balancing between globally plausible individual models against systems of complementary specialists. We identify local stability criteria, demonstrating how model misspecification can make non-degenerate posterior spread locally favourable, manifesting contradictory or conflicting data as epistemic uncertainty. We apply our framework to LLM post-training, learning an ensemble of LoRA adapters attached to a shared, frozen base model, providing a scalable training procedure for both supervised fine-tuning and preference optimisation. Our approach enables training examples to be softly routed across ensemble members, promoting model specialisation and providing actionable uncertainty estimates across different tasks.


SURGE: Approximation and Training Free Particle Filter for Diffusion Surrogate

arXiv.org Machine Learning

Data assimilation (DA) addresses the problem of sequentially estimating the state of a dynamical system from noisy and incomplete observations. In this work, we employ a diffusion model as a world model to simulate and predict the system's dynamics. Recently, score-based diffusion models have learned global diffusion priors that effectively model (stochastic) dynamics, revealing strong potential for data assimilation. In this paper, we investigate how information from noisy observations can be incorporated to enable continuous correction and refinement of the predicted system state when using a diffusion prior. Motivated by particle filtering methods, we represent the posterior distribution using a set of particles. After receiving noisy observations, the diffusion model is guided using the observation likelihood to steer the generation process toward observation-consistent states. Nevertheless, such guidance does not guarantee sampling from the true posterior. We therefore employ a Sequential Monte Carlo approach over the diffusion trajectory, viewed as a path measure, to reweight and resample particles, thereby correcting the generation process and ensuring convergence toward the desired posterior distribution. This leads to an unbiased particle filtering method that rigorously fuses observational data with diffusion model simulations.


Finite-Particle Convergence Rates for Conservative and Non-Conservative Drifting Models

arXiv.org Machine Learning

We propose and analyze a conservative drifting method for one-step generative modeling. The method replaces the original displacement-based drifting velocity by a kernel density estimator (KDE)-gradient velocity, namely the difference of the kernel-smoothed data score and the kernel-smoothed model score. This velocity is a gradient field, addressing the non-conservatism issue identified for general displacement-based drifting fields. We prove continuous-time finite-particle convergence bounds for the conservative method on $\R^d$: a joint-entropy identity yields bounds for the empirical Stein drift, the smoothed Fisher discrepancy of the KDE, and the squared center velocity. The main finite-particle correction is a reciprocal-KDE self-interaction term, and we give deterministic and high-probability local-occupancy conditions under which this term is controlled. We keep the quadrature constants explicit and track their possible bandwidth dependence: the root residual-velocity rate $N^{-1/(d+4)}$ holds under an additional $h$-uniform quadrature regularity condition, while a more general growth condition yields the optimized root rate $N^{-(2-β)/(2(d+4-β))}$, where $0\le β<2$. We also analyze the non-conservative drifting method with Laplace kernel, corresponding to the original displacement-based velocity proposed in Deng et al., 2026 (arxiv:2602.04770). For this method, a sharp companion kernel decomposes the velocity into a positive scalar preconditioning of a sharp-score mismatch plus a Laplace scale-mismatch residual, producing an analogous finite-particle rate with an unavoidable residual term. Finally, we explain how the continuous-time residual-velocity bounds translate into one-step generation guarantees through the explicit drift size $η$.


Inference-Time Alignment of Diffusion Models via Trust-Region Iterative Twisted Sequential Monte Carlo

arXiv.org Machine Learning

We study inference-time alignment for diffusion-based generative models, aiming to steer a base model toward high-reward outputs without updating its weights. Recent Sequential Monte Carlo (SMC)-based steering methods approximate reward-tilted target distributions in a principled way, but their proposals remain largely tied to the base sampler. Since reward information is mainly used after propagation through particle reweighting and resampling, these methods can require large particle budgets and suffer from weight degeneracy and high-variance estimates. One way to reduce variance and improve particle efficiency is to iteratively learn twisting functions that provide look-ahead guidance, as in twisted SMC. However, existing learnable twisting methods are developed mainly for classical sequential inference and can be unstable when applied to diffusion-based alignment with high-dimensional state spaces and terminal, noisy, or black-box rewards. We propose Trust-Region Iterative Twisted Sequential Monte Carlo (TRI-TSMC), a trust-region framework for learning twisting functions in SMC-based inference-time alignment. Each iteration computes an exact KL-constrained update in path space, which admits a closed-form solution by tempered importance reweighting, and projects this target back to the parameterized twisted family by weighted maximum likelihood. Theoretically, we formalize the value-function interpretation of the optimal twisting function and show that it yields a zero-variance sampler. We prove that the trust-region update follows an escort path toward the target distribution, that the weighted maximum-likelihood update is a forward-KL projection, and that the path reduces residual importance-weight variance. Empirically, TRI-TSMC improves primary alignment objectives on discrete diffusion text generation and text-to-image generation under matched inference-time budgets.


DiscoverPhysics: Benchmarking LLMs for Out-of-the-Box Scientific Thinking

arXiv.org Machine Learning

Frontier LLMs now perform strongly across a wide range of physics evaluations, but it is hard to disentangle genuine reasoning from recall of established science. We introduce DiscoverPhysics, an interactive benchmark that asks a LLM agent to discover the laws of motion of a simulated world whose physics deliberately deviates from our own. We construct 22 worlds governed by, among others, screened and fractional-power gravity, multi-species couplings, hidden dark-matter-like particles, non-coordinate-free physics, and time-varying interactions. Each world is generated on demand by an N-body simulator, for which the agent proposes several rounds of experiments, observes raw trajectory data, and ultimately submits both a natural-language explanation of the world's physics and a Python implementation of the inferred law. Because solving a world requires the agent to design informative experiments and revise its hypotheses, the benchmark probes long-horizon reasoning over an experimental history. We evaluate submissions along two complementary axes: trajectory MSE on held-out particles and an LLM-judged explanation score following an expert-written rubric assessing conceptual understanding of each world. Across eleven frontier models, we find that the strongest agents pass only half of the worlds and consistently fail on those where latent structure must be uncovered. Open-source models lag substantially behind commercial models, both in their ability to design informative experiments and in extracting conclusions from the data. We further find that good predictive accuracy does not guarantee high explanation quality and that conceptual understanding depends on hypothesis refinement through well-chosen experiments.


Move on Muon : A Hamiltonian probability gradient flow perspective of Muon optimizer

arXiv.org Machine Learning

We develop a gradient flow on the space of probability measures defined on matrix-valued parameters induced by regularized Muon, an analytically smoothed version of the idealized Muon optimizer. The key observation is that the regularized orthogonalization map is the gradient of a smooth Fenchel-dual smoothing of the nuclear norm. This identifies the (regularized) Muon update as a mirror/prox step in the update variable, with momentum acting as the dual coordinate. We use this structure to lift Muon from a single matrix parameter to finite-particle probability objectives of the form $J(ρ)=R\left(\int F d ρ\right)$, a setting motivated by mean-field descriptions of neural-network training, and derive the inertial continuous-time limit. Using this structure, we derive the finite-particle continuous-time limit under the inertial scaling of step size and momentum, and then pass to a phase-space mean-field equation over probability laws on parameter-momentum pairs. The resulting flow can be shown to be a damped Hamiltonian probability dynamics whose kinetic energy is induced by the regularized Muon mirror potential. We prove an exact Hamiltonian dissipation identity, showing that the Hamiltonian energy decreases monotonically. While the target objective itself need not be monotone along the inertial Muon dynamics, under additional gradient-dominance, bounded-momentum, and curvature/alignment assumptions, we obtain continuous and discrete-time exponential convergence rates for the objective gap. We also study the well-posedness of the mean-field limit equation and establish propagation of chaos guarantees for the interacting particle system. Finally, we extend the formulation to Hilbert-valued feature maps on product matrix spaces, yielding a blockwise Muon probability flow applicable to smooth transformer mixture-of-experts models.


Quantum 'Jamming' Could Help Unlock the Mysteries of Causality

WIRED

Quantum'Jamming' Could Help Unlock the Mysteries of Causality To keep communications secure in a post-quantum world, cryptographers are digging down into the concept of cause and effect. For the past few decades, researchers have understood that quantum computers should eventually be able to crack the widely used codes that secure much of the digital world. To protect against this fate, they've spent years developing new codes that appear to be safe from future safecrackers armed with quantum computers. At the same time, they've also devised ingenious ways to use the rules of quantum mechanics to keep communications secure. But quantum mechanics, just like the "classical" mechanics that preceded it, is just a theory of nature.


A Unified Framework for Data-Free One-Step Sampling via Wasserstein Gradient Flows

arXiv.org Machine Learning

We develop a unified theoretical framework for data-free one-step sampling from unnormalized target distributions based on Wasserstein gradient flows. For a broad class of standard f-divergence objectives, we show that the induced velocity field admits the universal form $\mathbf{V}(x)=w(r(x))\,β(x)$, where $β(x)=\nabla \log (p(x)/q(x))$ is shared across objectives and $w$ is determined solely by the choice of divergence. This decomposition shows that standard f-divergence drifts share the same asymptotic target distribution $p$ and differ primarily in how they redistribute transient repair effort across under-covered regions. To formalize this distinction, we derive a one-step regional-response theory for a soft under-coverage functional and obtain a compression--elasticity identity that links divergence choice to the geometry of mass transport into under-covered regions. We further extend the framework beyond the f-divergence family to the Log-Variance (LV) divergence, analyze how the reference distribution alters the resulting drift structure, and motivate a practical LV-inspired surrogate for data-free training. Based on this theory, we instantiate the framework with a KDE-based implementation and describe a complementary normalizing-flow route, enabling one-step inference after training. Experiments on multimodal Gaussian-mixture benchmarks are consistent with the theoretical predictions and demonstrate effective one-step sampling on these targets.


Simple Approximation and Derivative Free Inference-Time Scaling for Diffusion Models via Sequential Monte Carlo on Path Measures

arXiv.org Machine Learning

Modern generative models have emerged as a powerful Diffusion-based generative models increasingly paradigm for learning complex, high-dimensional data distributions. In particular, diffusion models (Ho et al., 2020; rely on inference-time guidance, adding a drift Sohl-Dickstein et al., 2015; Song and Ermon, 2019; Song term or reweighting mixture of experts, to imet al., 2020) and flow-based methods (Zhang et al., 2018a; prove sample quality on task-specific objectives. However, most existing techniques reLipman et al., 2022; Albergo and Vanden-Eijnden, 2022; Liu quire repeated score or gradient evaluations, inet al., 2022) provide a principled and scalable framework for generative modeling, achieving state-of-the-art performance troducing bias, high computational overhead, or across diverse applications, including video generation (Ho both. We introduce URGE, approximation-free et al., 2022), protein design (Gruver et al., 2023), and largeResampling via Girsanov Estimation, a derivativefree inference-time scaling algorithm that perscale text generation (Li et al., 2022; Nie et al., 2025). A forms pathwise importance reweighting via a Girunifying perspective underlying these approaches is their formulation in terms of stochastic differential equations sanov change of measure.


Don't Stop Me Yet: Sampling Loss Minima via Dissipative Riemannian Mechanics

arXiv.org Machine Learning

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.