We study safe linear bandits (SLBs), where an agent selects actions from a convex set to maximize an unknown linear objective subject to unknown linear constraints in each round. Existing methods for SLBs provide strong regret guarantees, but require solving expensive optimization problems. To address this, we propose Constrained Linear Thompson Sampling (COLTS), a sampling-based framework that selects actions by solving perturbed linear programs, which significantly reduces computational costs while matching the regret and risk of prior methods. We develop two main variants: S-COLTS, which ensures zero risk and eO( d3T) regret given a safe action, and R-COLTS, which achieves eO( d3T)regret and risk with no instance information. In simulations, these methods match or outperform state of the art SLB approaches while substantially improving scalability. On the technical front, we introduce a novel coupled noise design that ensures frequent'local optimism' about the true optimum, and a scaling-based analysis to handle the per-round variability of constraints.

Training-free guided generation is a widely used and powerful technique that allows the end user to exert further control over the generative process of flow/diffusion models. Generally speaking, two families of techniques have emerged for solving this problem for gradient-based guidance: namely, posterior guidance (i.e., guidance by projecting the current sample to the target distribution via the target prediction model) and end-to-end guidance (i.e., guidance by performing backpropagation throughout the entire ODE solve). In this work, we show that these two seemingly separate families can actually be unified by looking at the posterior guidance as a greedy strategy of end-to-end guidance. We explore the theoretical connections between these two families and provide an in-depth theoretical understanding of these two techniques relative to the continuous ideal gradients. Motivated by this analysis, we then show a method for interpolating between these two families enabling a trade-off between compute and accuracy of the guidance gradients.

We introduce a novel framework for differentially private (DP) statistical estimation via data truncation, addressing a key challenge in DP estimation when the data support is unbounded. Traditional approaches rely on problem-specific sensitivity analysis, limiting their applicability. By leveraging techniques from truncated statistics, we develop computationally efficient DP estimators for exponential family distributions, including Gaussian mean and covariance estimation, achieving near-optimal sample complexity. Previous works on exponential families only consider bounded or one-dimensional families. Our approach mitigates sensitivity through truncation while carefully correcting for the introduced bias using maximum likelihood estimation and DP stochastic gradient descent. Along the way, we establish improved uniform convergence guarantees for the log-likelihood function of exponential families, which may be of independent interest. Our results provide a general blueprint for DP algorithm design via truncated statistics.

Recently, Large Language Models (LLMs) have been increasingly used to support various decision-making tasks, assisting humans in making informed decisions. However, when LLMs confidently provide incorrect information, it can lead humans to make suboptimal decisions. To prevent LLMs from generating incorrect information on topics they are unsure of and to improve the accuracy of generated content, prior works have proposed Retrieval Augmented Generation (RAG), where external documents are referenced to generate responses. However, previous RAG methods focus only on retrieving documents most relevant to the input query, without specifically aiming to ensure that the human user's decisions are well-calibrated. To address this limitation, we propose a novel retrieval method called Calibrated Retrieval-Augmented Generation (CalibRAG), which ensures that decisions informed by RAG are well-calibrated. Then we empirically validate that CalibRAG improves calibration performance as well as accuracy, compared to other baselines across various datasets.

Generative models for structure-based drug design are often limited to a specific modality, restricting their broader applicability. To address this challenge, we introduce FuncBind, a framework based on computer vision to generate targetconditioned, all-atom molecules across atomic systems. FuncBind uses neural fields to represent molecules as continuous atomic densities and employs scorebased generative models with modern architectures adapted from the computer vision literature. This modality-agnostic representation allows a single unified model to be trained on diverse atomic systems, from small to large molecules, and handle variable atom/residue counts, including non-canonical amino acids. FuncBind achieves competitive in silico performance in generating small molecules, macrocyclic peptides, and antibody complementarity-determining region loops, conditioned on target structures. FuncBind also generated in vitro novel antibody binders via de novo redesign of the complementarity-determining region H3 loop of two chosen co-crystal structures. As a final contribution, we introduce a new dataset and benchmark for structure-conditioned macrocyclic peptide generation*.

We show how to use low-quality, synthetic, and out-of-distribution images to improve the quality of a diffusion model. Typically, diffusion models are trained on curated datasets that emerge from highly filtered data pools from the Web and other sources. We show that there is immense value in the lower-quality images that are often discarded. We present Ambient Diffusion Omni, a simple, principled framework to train diffusion models that can extract signal from all available images during training. Our framework exploits two properties of natural images - spectral power law decay and locality. We first validate our framework by successfully training diffusion models with images synthetically corrupted by Gaussian blur, JPEG compression, and motion blur. We then use our framework to achieve stateof-the-art ImageNet FID and we show significant improvements in both image quality and diversity for text-to-image generative modeling. The core insight is that noise dampens the initial skew between the desired high-quality distribution and the mixed distribution we actually observe. We provide rigorous theoretical justification for our approach by analyzing the trade-off between learning from biased data versus limited unbiased data across diffusion times.

A central goal of modern causal inference is estimating heterogeneous treatment effects to answer questions like "how does an intervention affect each unit," rather than only on average. We study this problem with panel-data where we observe $n$ units across $m$ times under unknown, non-uniform treatment assignments. The data in this setting is naturally represented as a matrix of all unit--time treatment effects. Estimating heterogeneous treatment effects can then be expressed as obtaining a good estimation of each row's average in this matrix. This allows us to formulate the problem as matrix completion, which can be solved under natural low-rankness assumptions. However, existing matrix-completion guarantees are not powerful enough to get meaningful bounds for the per-row guarantee required for estimating the heterogeneous treatment effect; roughly speaking, they are only useful for estimating average treatment effect bounds, as also illustrated in a recent line of work. We give a simple, computationally efficient estimator that, without knowledge of the propensities and under standard low-rankness and regularity assumptions, achieves a row-wise $\ell_2$ error of $\tilde{O}(\sqrt{\frac{1}{n} + \frac{n}{m^2}})$. Technically, our analysis establishes the first sharp row-wise $\ell_2$-perturbation bound for low-rank approximation, complementing existing spectral-, Frobenius-, and entrywise perturbation theory.

Frontier reasoning models are produced by posttraining base language models with reinforcement learning. Recent work has challenged this by showing that sampling from a sharpened version of the base model's distribution, a so-called power distribution, elicits comparable reasoning without additional training, curated datasets, or verifiers. However, making this method practical requires efficiently sampling from the power distribution. A sampler needs to "mix" to the power distribution, which necessitates moving between modes of the target distribution; intuitively, e.g., trying different reasoning strategies. The samplers proposed in prior works repeatedly select a "cut" position in the current reasoning trace uniformly at random and resample the suffix from that position onward. However, reasoning traces typically contain a few consequential decisions (e.g., the choice of proof strategy or algorithm), and we observe that a uniformly chosen cut tends to rewrite local details rather than revisit decision points. We introduce an algorithm (Entropy-Cut Metropolis-Hastings) that uses the base model's next-token entropy as a proxy to identify key decision points and resample from those positions. We empirically verify that entropy jumps are a useful proxy for decision points and, in a stylized model of reasoning, prove that our method's mixing time scales with the number of decisions in a trace rather than with the number of tokens, which can be much larger. Across MATH500, HumanEval, GPQA Diamond, and AIME26, our method consistently improves over baselines and RL-trained models.

Generative neural networks learn how to produce highly realistic images from a large, but finite number of examples - or do they simply memorise their training set? To settle this question, Kadkhodaie, Guth, Simoncelli and Mallat (ICLR '24) trained diffusion models independently on disjoint subsets of a dataset and showed that they converge to nearly the same density when the number of training images is large enough. This result raises two basic questions: how much data do you need for convergence, and what does convergence capture about learning the data distribution? Here, we address these questions by providing an exact analytical characterisation of the transition from memorisation to generalisation in linear generative models. We find that these models memorise at small load, while convergence emerges continuously when the number of samples is linear in the input dimension. Strikingly, we find that convergence is insensitive to recovery of the principal latent factors of the data, which are recovered in a sharp transition. After extending our approach to data with power-law spectra, we find the same distinction between convergence and latent recovery in our experiments with convolutional denoisers and in the data of Kadkhodaie et al. We thus show that generalisation in generative models decomposes into at least two distinct objectives: matching the bulk of the data distribution and recovering the principal latent factors. These objectives correspond to two different distances between true and learnt data distribution, and only the first one is captured by convergence.

Valiant's 1984 paper is widely credited with introducing the PAC learning model, but it, in fact, introduced a different model: unlike PAC learning, the learner receives only positives, may issue membership queries, and must output a hypothesis with no false positives. Prior work characterized variants, including the case without queries. We revisit Valiant's original model and ask: *Which classes are learnable in it?* For every finite domain, including Valiant's Boolean-hypercube setting, we show that a class is learnable if and only if every realizable positive sample can be certified by a poly-size adaptive query-compression scheme. This is a new variant of sample compression where the learner certifies samples via a short interaction with the membership oracle. Our characterization shows that learnability in Valiant's model is strictly sandwiched between learnability in the PAC model and the variant of Valiant's model without membership queries. This is one of the rare cases where introducing membership queries changes the set of learnable classes, and not just the sample or computational complexity. Next, we study the natural extension of the model to arbitrary domains. While we do not obtain an exact characterization, our techniques readily generalize and show that the same strict sandwiching persists. Finally, we show that $d$-dimensional halfspaces, which are not learnable without queries, are learnable with queries: we give a $\mathrm{poly}(d) \tilde{O}(1/ε)$ sample and $\mathrm{poly}(d) \mathrm{polylog}(1/ε)$ query algorithm, and prove that at least $Ω(d)$ samples or queries are necessary. To our knowledge, this is the first algorithm for halfspaces in Valiant's model. Together, these results uncover a surprisingly rich theory behind Valiant's original notion of learnability and introduce ideas that may be of independent interest in learning theory.