mse
BASIS: Batchwise Advantage Estimation from Single-Rollout Information Sharing for LLM Reasoning
Gong, Shijin, Xu, Erhan, Ye, Kai, Quinzan, Francesco, Livieri, Giulia, Shi, Chengchun
Reinforcement learning with verifiable rewards has become a standard recipe for improving the reasoning abilities of large language models. Existing algorithms face a tradeoff between computational efficiency and sample efficiency in value estimation and policy learning. We introduce BASIS, a critic-free post-training algorithm designed to address this tradeoff. At each online training step, BASIS samples only one rollout per prompt, but leverages rich information across prompts in the entire batch to improve value function estimation. Our experiments demonstrate that BASIS reduces MSE in value function estimation by 69% compared to REINFORCE++, a representative single-rollout baseline, and achieves lower MSE with one rollout than group mean estimators with 8 rollouts. This improvement in value estimation translates to better policy optimization: using substantially less training time, BASIS achieves performance close to multi-rollout GRPO-type baselines and often outperforms single-rollout REINFORCE-type baselines.
Distributionally Robust Transfer Learning with Structurally Missing Covariates, with Application to Cross-National Cardiac Arrest Prediction
Li, Siqi, Hong, Chuan, Tian, Ziye, Leong, Benjamin Sieu-Hon, Nakagawa, Koshi, Tanaka, Hideharu, Shin, Sang Do, Dai, Khuong Quoc, Son, Do Ngoc, Ong, Marcus Eng Hock, Liu, Nan, Liu, Molei
Deploying clinical prediction models across healthcare systems often fails when key training covariates are unavailable at deployment and labeled outcomes are limited in the target domain. For example, high-performing models for out-of-hospital cardiac arrest (OHCA) rely on detailed prehospital measurements routinely collected in high-resource settings but unavailable in many international registries. Existing methods either discard missing covariates, sacrificing predictive information, or rely on untestable assumptions about their target distribution. We propose DRUM (\underline{D}istributionally \underline{R}obust \underline{U}nsupervised transfer learning with structurally \underline{M}issing covariates), a framework that transfers prediction models to target populations where certain covariates are structurally absent and outcome labels are unavailable. DRUM partitions covariates into shared components ($X$), observed across all settings, and missing components ($A$), observed only in the source. Rather than imputing missing covariates, DRUM optimizes worst-case predictive performance over the unknown target distribution of $A \mid X$ using a neural network generator, with a robustness parameter controlling allowable deviation from the source conditional. We further develop a bias correction procedure that reduces sensitivity to nuisance estimation error. Simulations show substantial improvements in both mean and worst-case prediction error under distribution shift. Applied to cross-national OHCA prediction, transferring models from a US registry to multiple Asian registries where prehospital variables are unrecorded, DRUM yields better-calibrated predictions and improved clinical classification performance across sites.
DiscoverPhysics: Benchmarking LLMs for Out-of-the-Box Scientific Thinking
Wiemann, Matt L., Smith, Lindsay M., Melchior, Peter, Mishra-Sharma, Siddharth, Wilson, Andrew Gordon, Izmailov, Pavel, Cuesta-Lรกzaro, Carolina
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.
Multi-Head Attention as Ensemble Nadaraya-Watson Estimation: Variance Reduction, Decorrelation, and Optimal Head Diversity
We develop a rigorous statistical theory of multi-head attention (MHA) as an ensemble of Nadaraya-Watson (NW) kernel regression estimators. Building on the algebraic identity between single-head softmax attention and the NW estimator, we prove that MHA is a structured ensemble of H NW estimators, each operating in a distinct learned projection subspace of the key space. We derive an explicit Bias-Variance-Covariance decomposition of the MHA mean squared error, showing that variance reduction depends not merely on the number of heads H but fundamentally on the decorrelation of head outputs. Decorrelation is governed by the principal angles between learned projection subspaces: orthogonal projections yield maximum variance reduction; aligned projections yield none. We introduce the Head Diversity Index (HDI), a computable spectral measure of inter-head decorrelation, and prove that MHA mean squared error is monotonically decreasing in HDI. This provides the first rigorous theoretical explanation for the empirically observed specialization of attention heads. Under a fixed total-dimension budget D = H * d_k, we solve the optimal head-dimension allocation problem, deriving the MSE-minimizing pair (H*, d_k*) from data distribution and regression smoothness. The solution yields a new architectural scaling law: the optimal per-head dimension grows logarithmically with training set size, while the optimal number of heads grows nearly linearly with the total budget D. Our framework unifies three strands of prior work: the NW theory of single-head attention, the general weighting theory for ensemble learning, and the decorrelation-variance-reduction isomorphism between biological and computational ensembles. Multi-head attention is the Transformer's instantiation of a universal principle: identical agents plus diversity-enforcing mechanisms yields emergent optimality.
Kernelized Advantage Estimation: From Nonparametric Statistics to LLM Reasoning
Gong, Shijin, Ye, Kai, Zhu, Jin, Zhang, Xinyu, Zhou, Hongyi, Shi, Chengchun
Recent advances in large language models (LLMs) have increasingly relied on reinforcement learning (RL) to improve their reasoning capabilities. Three types of approaches have been widely adopted: The first relies 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. The second avoids training a value network by approximating the value function using sample averages. However, it samples a large number of reasoning traces per prompt for accurate value function approximation, making it computationally expensive. The third samples only a single reasoning trajectory per prompt, which reduces computational cost but suffers from poor sample efficiency. This paper focuses 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.
Multi-task Linear Regression without Eigenvalue Lower Bounds: Adaptivity, Robustness and Safety
We study the multi-task linear regression problem in the presence of contaminated tasks. We address the setting where the unknown parameters of a majority of tasks are close in the $\ell_2$-norm, while a fraction of tasks are arbitrary outliers. Existing theoretical frameworks for this problem rely heavily on the assumption that the empirical second moment of each task has a minimum eigenvalue bounded away from zero (order $ฮฉ(1)$). Crucially, this assumption fails in many high-dimensional scenarios, rendering prior guarantees vacuous. To overcome this limitation, we propose an estimator based on matrix-weighted norm regularization. We also introduce a relative balancedness condition, quantified by a balancedness constant, that compares each task's second moment with the average inlier geometry and relaxes the need for taskwise second-moment lower bounds. In favorable regimes with moderate balancedness, our prediction MSE bounds match the rate of Duan and Wang (2023) under substantially weaker spectral assumptions; the resulting task-overall MSE is minimax optimal up to logarithmic factors. Furthermore, we demonstrate that our estimator enjoys a safety guarantee: when the relevant balancedness constant is large or infinite, or when tasks are unrelated, the method performs no worse than independent task learning. Consequently, our methodology achieves simultaneous adaptivity to task similarity, robustness to outliers, and safety outside favorable transfer regimes.
Scalable Decision-Focused Learning through Cost-Sensitive Regression
Schutte, Noah, Berden, Senne, Guns, Tias, Postek, Krzysztof, Yorke-Smith, Neil
Many real-world combinatorial problems involve uncertain parameters, which can be predicted given contextual features and historical data. These `predict-then-optimize' or `contextual optimization' problems have gained significant attention: end-to-end training methods can now minimize the downstream task cost rather than the predictive error. However, despite their effectiveness, these decision-focused learning (DFL) approaches often rely on repeated solving of the underlying combinatorial optimization problem during training, making them computationally expensive and difficult to scale. We reframe the learning problem as a cost-sensitive multi-output regression problem: multi-output due to the combinatorial problem having multiple uncertain parameters, and cost-sensitive due to the downstream task cost being the real target. Our technical contribution is the formalization of multiple loss function components that follow from this reframing: cost-insensitive normalization, decision-aware asymmetric penalization of over- and underpredictions, and instance-based costs that mimic the true downstream task-based loss locally. These components require zero or one solve per training data instance, while requiring no further solves during training. Experiments show that the combination of loss components achieves comparable downstream task quality to the state of the art, while being significantly more efficient, enabling scaling to problem sizes that have not been tackled before with DFL.
Statistical Limits and Efficient Algorithms for Differentially Private Federated Learning
Auddy, Arnab, Peng, Xiangni, Paul, Subhadeep
Federated Learning is a leading framework for training ML and AI models collaboratively across numerous user devices or databases. We study the trade-offs among estimation accuracy, privacy constraints, and communication cost for differentially private (DP) federated M estimation. The two standard methods in the literature are FedAvg, which may suffer from high federation bias, and FedSGD, which can incur high communication cost. Aimed at improving accuracy at a reduced communication cost, we propose FedHybrid, which uses FedSGD starting with an improved initialization by the FedAvg estimator. We propose FedNewton, which averages local Newton iterations to reduce bias in FedAvg, achieving an estimation accuracy comparable to FedSGD with much fewer communication rounds when the number of clients grows sufficiently slowly. We establish finite sample upper bounds on the mean-squared error rates of the DP versions of these estimators as functions of the number of clients, local sample sizes, privacy budget, and number of iterations. We further derive a minimax lower bound on the MSE of any iterative private federated procedure that provides a benchmark to assess the optimality gap of these methods. We numerically evaluate our methods for training a logistic regression and a neural network on the computer vision datasets MNIST and CIFAR-10.
Logging Policy Design for Off-Policy Evaluation
Douglas, Connor, Persson, Joel, Provost, Foster
Off-policy evaluation (OPE) estimates the value of a target treatment policy (e.g., a recommender system) using data collected by a different logging policy. It enables high-stakes experimentation without live deployment, yet in practice accuracy depends heavily on the logging policy used to collect data for computing the estimate. We study how to design logging policies that minimize OPE error for given target policies. We characterize a fundamental reward-coverage tradeoff: concentrating probability mass on high-reward actions reduces variance but risks missing signal on actions the target policy may take. We propose a unifying framework for logging policy design and derive optimal policies in canonical informational regimes where the target policy and reward distribution are (i) known, (ii) unknown, and (iii) partially known through priors or noisy estimates at logging time. Our results provide actionable guidance for firms choosing among multiple candidate recommendation systems. We demonstrate the importance of treatment selection when gathering data for OPE, and describe theoretically optimal approaches when this is a firm's primary objective. We also distill practical design principles for selecting logging policies when operational constraints prevent implementing the theoretical optimum.
Robust Sequential Experimental Design for A/B Testing
Wen, Qianglin, Wu, Xiangkun, Shi, Chengchun, Li, Ting, Tang, Niansheng, Zhang, Yingying, Zhu, Hongtu
Experimental design has emerged as a powerful approach for improving the sample efficiency of A/B testing, yet existing designs rely critically on correctly specified models. We study robust sequential experimental design under model misspecification and develop a unified framework that covers both contextual bandit and dynamic settings. Theoretically, we prove that our design bounds the worst-case mean squared error of the estimated treatment effect. Empirically, we demonstrate the effectiveness of the proposed approach using synthetic and real-world datasets from a leading technology company.