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Prediction-Powered Inference Across Many Tasks for AI Evaluation & Social Science Research

arXiv.org Machine Learning

Many applications require statistically valid inference across many related "tasks", while using only a handful of high-quality labels per hypothesis. In AI evaluation, these tasks may correspond to model behaviors across prompts, subgroups, or hypotheses; in social science surveys, they may correspond to related questions, populations, or measurement conditions. Prediction-powered inference (PPI) uses abundant but inexpensive proxy measurements to improve inference from limited, "ground-truth" labels, but commonly used methods treat tasks independently and therefore fail to exploit shared structure across related tasks. This limitation is especially important in settings where only a small number of labels are available per task. To address this issue, we introduce a multi-task prediction-powered inference framework that uses labeled data from related tasks to improve power while preserving task-specific inference. Our methods exploit the shared structure in the proxy-ground-truth relationship through cross-task recalibration, while retaining within-task rectification and power tuning to construct accurate point estimates and confidence intervals. We prove that efficiency gains beyond power-tuned PPI are only possible when the proxy-ground-truth relationship contains nonlinear structure; affine cross-task recalibrations are asymptotically equivalent to using the original proxy. We complement our theoretical findings with experiments on synthetic and semi-synthetic datasets, as well as a case study auditing language models on election-related information during the 2024 U.S. presidential election. Using a large human-annotation study, we show that cross-task recalibration can substantially reduce confidence interval widths when labels are scarce.


Score-Repellent Monte Carlo: Toward Efficient Non-Markovian Sampler with Constant Memory in General State Spaces

arXiv.org Machine Learning

History-dependent sampling can reduce long-run Monte Carlo variance by discouraging redundant revisits, but existing schemes typically encode history through empirical measure on finite state spaces, which is infeasible in high-dimensional discrete configuration spaces or ill-posed in continuous domains. We propose Score-Repellent Monte Carlo (SRMC) framework that summarizes trajectory history by a running average of score evaluations in $\mathbb{R}^d$, where $d$ is the dimension of the score and state representation. This history is converted into a surrogate target through an exponential score tilt, indexed with $ฮฑ$ that represents the strength of repellence in controlling the magnitude of the history-based repulsion. The surrogate family is normalization-free in the standard MCMC sense, yielding a generic wrapper: at each iteration, any base kernel targeting $ฯ€$ can instead be run on the current surrogate $ฯ€_{ฮธ_n}$ while the history is updated online. We analyze the coupled evolution of the history recursion and Monte Carlo estimators using stochastic approximation with controlled Markovian noise, establishing almost sure convergence and a joint central limit theorem. We further identify regimes in which the asymptotic covariance decreases as $ฮฑ$ increases, with scaling $O(1/ฮฑ)$, extending the near-zero-variance effect of finite-state history-dependent samplers to general state spaces with constant memory. Experiments on continuous targets and discrete energy-based models demonstrate improved estimator variance and mode coverage, while retaining $O(d)$ memory usage and modest per-iteration overhead.


Real vs. Semi-Simulated: Rethinking Evaluation for Treatment Effect Estimation

arXiv.org Machine Learning

Estimating heterogeneous treatment effects with machine learning has attracted substantial attention in both academic research and industrial practice. However, the two communities often evaluate models under markedly different conditions. Methodological work typically relies on semi-simulated benchmarks and metrics that require counterfactual outcomes, whereas real-world applications rely on observable metrics based on ranking or test outcomes. Despite the well-known gap between methodological progress and practical deployment, the relationship between these evaluation regimes has not been examined systematically. We conduct a large-scale empirical study of treatment effect evaluation across standard semi-simulated benchmark families and real-world datasets. Our benchmark covers meta-learners paired with multiple base learners, as well as specialized causal machine learning models. We evaluate these methods using observable metrics common in application-oriented literature, alongside counterfactual metrics commonly used in methods papers. Our results reveal two complementary gaps. First, counterfactual metrics do not reliably recover the estimators preferred by observable metrics, even on the same semi-simulated benchmarks. Second, rankings obtained on semi-simulated benchmarks do not transfer to real datasets. We further find that simple meta-learners with strong base models are consistently competitive, in contrast to specialized causal models. Overall, our findings suggest that progress in treatment effect estimation research should not be assessed solely through counterfactual metrics and semi-simulated benchmarks, but it would benefit from incorporating observable metrics and real-data validation.


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.


HawkesLLM: Semantic Uncertainty Propagation in Agentic Text Simulation

arXiv.org Machine Learning

Agentic text-simulation systems write in sequence, with each item becoming possible context for later steps. That makes uncertainty path-dependent: an early ambiguity can affect later outputs. This paper studies this problem with HawkesLLM, a framework that separates temporal influence modeling from text generation. We represent the cascade as a network whose nodes are text-generating agents. A multivariate Hawkes process models how these nodes activate over time and which earlier node outputs should influence later prompts. A language model then writes each new event from the compact memory selected by this temporal model. We evaluate the framework on a held-out Global Database of Events, Language, and Tone (GDELT) news-cascade case study. The diagnostics track semantic alignment with local held-out references and separate local drift from global drift. In this setting, HawkesLLM improves late-stage semantic alignment under a compact prompt-memory budget.


Correcting Stochastic Update Bias in Preconditioned Language Model Optimizers

arXiv.org Machine Learning

Preconditioned optimizers are central to language model training, but their stochastic update rules are usually treated as direct approximations to population preconditioned descent. We show that this view misses two finite-sample biases. First, the gradient and preconditioner are typically estimated from the same minibatch, introducing gradient--preconditioner coupling bias. Second, even when the preconditioner estimate is unbiased, its inverse or inverse-root is generally biased because inversion is nonlinear. We propose a single-batch bias-correction framework that addresses both effects: cross-fitted preconditioning estimates the numerator and preconditioner from independent microbatch groups, while variance-corrected inversion uses microbatch variability to subtract the leading delta-method bias term. The framework applies to diagonal moment, diagonal curvature, and matrix preconditioning methods, instantiated in AdamW, Sophia, and Shampoo. Bias correction reduces held-out pretraining loss on Qwen2.5-0.5B by $0.15$, $0.07$, and $0.11$ nats, respectively; the effects on mixed-quality pretraining and downstream instruction tuning are consistently neutral-to-positive. Together, these results establish bias correction as a practical mechanism for reducing finite-sample update bias and improving the performance of preconditioned optimizers.


CogScale: Scalable Benchmark for Sequence Processing

arXiv.org Machine Learning

The ability to maintain and manipulate information over time is a fundamental aspect of living beings and Artificial Intelligence. While modern models have achieved remarkable success in tasks like natural language processing, evaluating the capacity of novel architectures to process sequential information remains computationally expensive and time-consuming. Testing a new architecture often requires scaling up to massive datasets and models, leading to vast computational costs and slow iteration cycles. In this paper, we propose CogScale, a benchmark of 14 scalable synthetic tasks designed to isolate and evaluate specific cognitive and memory abilities at different parametrizable scales. By providing a standardized, lightweight framework, CogScale allows researchers to rapidly validate architectural innovations before committing to large-scale training. To establish a solid baseline, we evaluate seven distinct architectures: Gated Recurrent Unit (GRU), Long Short-Term Memory (LSTM), xLSTM, Echo State Network (ESN), Mamba, Transformer Decoder, and Transformer Encoder-Decoder. These evaluations are conducted under strict parameter budgets (1k, 10k, and 100k) and across different difficulty levels and scales. Our results show that while classical RNNs and Echo State Networks excel at basic retention within strict parameter budgets, only attention mechanisms and modern state-space models consistently maintain high performance as reasoning complexity and task difficulty scale.


FLUXtrapolation: A benchmark on extrapolating ecosystem fluxes

arXiv.org Machine Learning

We introduce FLUXtrapolation, a benchmark for extrapolating ecosystem fluxes under progressively harder distribution shifts. Ecosystem fluxes are central to understanding the carbon, water, and energy cycles, yet they can only be measured directly at sparsely located measurement towers. Producing global flux estimates therefore requires training models on observed sites using globally available covariates and predicting in unobserved regions, that is, upscaling. Flux upscaling is a challenging domain generalization problem that is affected by a shift in covariate distribution across climates, ecosystem types, and environmental conditions, as well as by conditional shift: important drivers remain unobserved at global scale. We provide a quantitative analysis of both these shifts in $P_X$ and $P_{Y\mid X}$. FLUXtrapolation is designed based on domain expertise on flux upscaling: it defines temporal, spatial, and temperature-based extrapolation scenarios and evaluates performance across held-out domains, temporal aggregations, and tail errors. In a pilot study, we find that baselines perform similarly under median hourly RMSE, but separate under the proposed tail-focused and multi-scale evaluation. FLUXtrapolation therefore poses a realistic and thus relevant challenge for machine learning methods under distribution shift; at the same time, progress on this benchmark would directly support the scientific goal of improving flux upscaling.


Augmenting Human Evaluation with LLM Judges: How Many Human Reviews Do You Need?

arXiv.org Machine Learning

Large language models (LLMs) are increasingly used as automated evaluators of AI systems, including in high-stakes applications. In this role, LLMs are used to generate judgments about the quality, appropriateness, or even safety of model outputs. This approach is motivated by practical constraints. Expert human ratings are costly and difficult to scale, whereas LLM ratings can be produced quickly at low cost. However, current approaches to deploying LLM evaluators are ad hoc, typically limited to reporting agreement metrics between human and LLM judges as a justification for substitution of human ratings, and lack a formal basis for study design. This paper (1) shifts the role of the LLM judge from substitutive to auxiliary, and (2) formulates the LLM-as-a-judge paradigm as one of augmenting human evaluation through a two-stage sampling design, where LLM evaluations are measured for all observations at the first stage and human ratings are partially observed for a subsample at the second stage. We propose to use a doubly robust estimator from the missing data literature, which takes advantage of the robustness property against the prediction model, since the missingness model is known by design. Using the asymptotic variance of this estimator, we propose how sample sizes of human and LLM ratings can be determined to achieve a targeted level of power. We also show that a study can be efficiently designed by allocating more human ratings for types of evaluations where the predictability of LLM ratings is not high. To the best of our knowledge, there is very little guidance on how much human oversight should be retained when validating benchmarks.