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Sep 15

Enhancing Diffusion-Based Sampling with Molecular Collective Variables

Diffusion-based samplers learn to sample complex, high-dimensional distributions using energies or log densities alone, without training data. Yet, they remain impractical for molecular sampling because they are often slower than molecular dynamics and miss thermodynamically relevant modes. Inspired by enhanced sampling, we encourage exploration by introducing a sequential bias along bespoke, information-rich, low-dimensional projections of atomic coordinates known as collective variables (CVs). We introduce a repulsive potential centered on the CVs from recent samples, which pushes future samples towards novel CV regions and effectively increases the temperature in the projected space. Our resulting method improves efficiency, mode discovery, enables the estimation of free energy differences, and retains independent sampling from the approximate Boltzmann distribution via reweighting by the bias. On standard peptide conformational sampling benchmarks, the method recovers diverse conformational states and accurate free energy profiles. We are the first to demonstrate reactive sampling using a diffusion-based sampler, capturing bond breaking and formation with universal interatomic potentials at near-first-principles accuracy. The approach resolves reactive energy landscapes at a fraction of the wall-clock time of standard sampling methods, advancing diffusion-based sampling towards practical use in molecular sciences.

  • 9 authors
·
Oct 13, 2025

When Agents Slow Down: Understanding LLM Agents' Test-Time Strategies via Elo-per-token Analysis

Large language model (LLM) agents allocate test-time compute adaptively as they revise solutions, use tools, explore alternatives, and decide when to stop. This test-time strategy makes it difficult to measure how agent performance scales. We study open-ended tasks that provide continuous scores for intermediate submissions, making progress observable throughout long trajectories. We propose Elo-per-token analysis, which tracks the best solution found at each token budget and uses a Bradley-Terry model to aggregate within-task orderings into Elo ratings across tasks with different score scales. We apply it to four general-purpose agents on four open-ended benchmarks, with sessions of up to 100M tokens, and to three feedback-driven LLM optimization harnesses in controlled single-task interventions. Independent sampling provides a theoretically characterized reference, for which Elo grows linearly with log compute. Against this reference, agents can initially convert tokens into Elo faster than independent sampling, but their marginal gains diminish and eventually fall below the reference. In contrast, the strongest historical human contestants improve superlinearly over contest time on shared AtCoder Heuristic Contest tasks, providing evidence of continual learning and substantial headroom after agents slow down. We define the scaling inflection point as the per-session budget where marginal Elo gains match the independent-sampling reference. Using this point as the per-session budget, we split 100M tokens across parallel sessions on FrontierCS Polyomino Packing, gaining +264 Elo over one long session and +355 over ten short sessions.

  • 9 authors
·
Sep 13 2

One More Time: Revisiting Neural Quantum States from a Reinforcement Learning Perspective

Neural quantum states (NQS) provide a flexible and scalable framework for approximating quantum many-body wavefunctions. Among NQS parameterizations, autoregressive models are especially attractive because they enable exact, independent sampling from the Born distribution, avoiding the autocorrelation and mixing issues of Markov chain methods. Yet their optimization remains comparatively underexplored: Adam is a scalable method but ignores function space geometry, while stochastic reconfiguration is principled but costly and numerically fragile in large models. To address this gap, we show that variational energy minimization can be viewed as an advantage policy-gradient problem over the Born distribution, motivating trust-region optimization for NQS training. We introduce Proximal Wavefunction Optimization (PWO), a principled trust-region algorithm that clips probability-ratio changes in the amplitude channel and phase increments in the phase channel. PWO avoids explicit matrix inversion, reuses samples across multiple updates, and combines the scalability of first-order optimization with theoretical guarantees. Across Ising and frustrated J_1-J_2 one- and two-dimensional spin systems, PWO improves stability and wall-clock convergence over Adam, minSR, and SPRING. Finally, we fine-tune a 1.5B-parameter RWKV-7 model, demonstrating NQS optimization at a scale over three orders of magnitude beyond prior work.

  • 7 authors
·
Jul 1

Simultaneous Modeling of Protein Conformation and Dynamics via Autoregression

Understanding protein dynamics is critical for elucidating their biological functions. The increasing availability of molecular dynamics (MD) data enables the training of deep generative models to efficiently explore the conformational space of proteins. However, existing approaches either fail to explicitly capture the temporal dependencies between conformations or do not support direct generation of time-independent samples. To address these limitations, we introduce ConfRover, an autoregressive model that simultaneously learns protein conformation and dynamics from MD trajectories, supporting both time-dependent and time-independent sampling. At the core of our model is a modular architecture comprising: (i) an encoding layer, adapted from protein folding models, that embeds protein-specific information and conformation at each time frame into a latent space; (ii) a temporal module, a sequence model that captures conformational dynamics across frames; and (iii) an SE(3) diffusion model as the structure decoder, generating conformations in continuous space. Experiments on ATLAS, a large-scale protein MD dataset of diverse structures, demonstrate the effectiveness of our model in learning conformational dynamics and supporting a wide range of downstream tasks. ConfRover is the first model to sample both protein conformations and trajectories within a single framework, offering a novel and flexible approach for learning from protein MD data.

  • 6 authors
·
May 23, 2025

Mirostat: A Neural Text Decoding Algorithm that Directly Controls Perplexity

Neural text decoding is important for generating high-quality texts using language models. To generate high-quality text, popular decoding algorithms like top-k, top-p (nucleus), and temperature-based sampling truncate or distort the unreliable low probability tail of the language model. Though these methods generate high-quality text after parameter tuning, they are ad hoc. Not much is known about the control they provide over the statistics of the output, which is important since recent reports show text quality is highest for a specific range of likelihoods. Here, first we provide a theoretical analysis of perplexity in top-k, top-p, and temperature sampling, finding that cross-entropy behaves approximately linearly as a function of p in top-p sampling whereas it is a nonlinear function of k in top-k sampling, under Zipfian statistics. We use this analysis to design a feedback-based adaptive top-k text decoding algorithm called mirostat that generates text (of any length) with a predetermined value of perplexity, and thereby high-quality text without any tuning. Experiments show that for low values of k and p in top-k and top-p sampling, perplexity drops significantly with generated text length, which is also correlated with excessive repetitions in the text (the boredom trap). On the other hand, for large values of k and p, we find that perplexity increases with generated text length, which is correlated with incoherence in the text (confusion trap). Mirostat avoids both traps: experiments show that cross-entropy has a near-linear relation with repetition in generated text. This relation is almost independent of the sampling method but slightly dependent on the model used. Hence, for a given language model, control over perplexity also gives control over repetitions. Experiments with human raters for fluency, coherence, and quality further verify our findings.

  • 4 authors
·
Jul 29, 2020

AsyncPatch Diffusion: spatially-flexible image generation

Standard diffusion models corrupt an entire sample with a single shared noise level, forcing all spatial regions to follow the same denoising trajectory. We introduce AsyncPatch Diffusion, a joint-diffusion framework that assigns distinct noise levels to different input dimensions, such as image pixels, or latent tokens. We show how this asynchronous corruption defines a valid generative process while supporting a richer family of spatially heterogeneous denoising trajectories, and prove the first valid ELBO for this process. We show that a single pretrained model can perform spatially adaptive generation, where different regions are denoised on different schedules. A key challenge is training: naive independent noise-level sampling overemphasizes highly heterogeneous configurations and underrepresents homogeneous noise levels, that are crucial during sampling. We address this with a controlled noise-level sampler that regulates both the average corruption level and its spatial variability. AsyncPatch achieves generation quality comparable to conventional diffusion on ImageNet 256 and LSUN, while being natively suited for inpainting without task-specific fine-tuning. We further introduce input guidance, which uses clean or partially corrupted regions to guide the generation of unknown regions, improving local consistency and texture matching. Finally, we demonstrate adaptive generation strategies including uncertainty-guided acceleration and autoregressive sampling.

  • 6 authors
·
Jun 4

Dynamic-TreeRPO: Breaking the Independent Trajectory Bottleneck with Structured Sampling

The integration of Reinforcement Learning (RL) into flow matching models for text-to-image (T2I) generation has driven substantial advances in generation quality. However, these gains often come at the cost of exhaustive exploration and inefficient sampling strategies due to slight variation in the sampling group. Building on this insight, we propose Dynamic-TreeRPO, which implements the sliding-window sampling strategy as a tree-structured search with dynamic noise intensities along depth. We perform GRPO-guided optimization and constrained Stochastic Differential Equation (SDE) sampling within this tree structure. By sharing prefix paths of the tree, our design effectively amortizes the computational overhead of trajectory search. With well-designed noise intensities for each tree layer, Dynamic-TreeRPO can enhance the variation of exploration without any extra computational cost. Furthermore, we seamlessly integrate Supervised Fine-Tuning (SFT) and RL paradigm within Dynamic-TreeRPO to construct our proposed LayerTuning-RL, reformulating the loss function of SFT as a dynamically weighted Progress Reward Model (PRM) rather than a separate pretraining method. By associating this weighted PRM with dynamic-adaptive clipping bounds, the disruption of exploration process in Dynamic-TreeRPO is avoided. Benefiting from the tree-structured sampling and the LayerTuning-RL paradigm, our model dynamically explores a diverse search space along effective directions. Compared to existing baselines, our approach demonstrates significant superiority in terms of semantic consistency, visual fidelity, and human preference alignment on established benchmarks, including HPS-v2.1, PickScore, and ImageReward. In particular, our model outperforms SoTA by 4.9%, 5.91%, and 8.66% on those benchmarks, respectively, while improving the training efficiency by nearly 50%.

  • 15 authors
·
Sep 27, 2025

Deep End-to-end Adaptive k-Space Sampling, Reconstruction, and Registration for Dynamic MRI

Dynamic MRI enables a range of clinical applications, including cardiac function assessment, organ motion tracking, and radiotherapy guidance. However, fully sampling the dynamic k-space data is often infeasible due to time constraints and physiological motion such as respiratory and cardiac motion. This necessitates undersampling, which degrades the quality of reconstructed images. Poor image quality not only hinders visualization but also impairs the estimation of deformation fields, crucial for registering dynamic (moving) images to a static reference image. This registration enables tasks such as motion correction, treatment planning, and quantitative analysis in applications like cardiac imaging and MR-guided radiotherapy. To overcome the challenges posed by undersampling and motion, we introduce an end-to-end deep learning (DL) framework that integrates adaptive dynamic k-space sampling, reconstruction, and registration. Our approach begins with a DL-based adaptive sampling strategy, optimizing dynamic k-space acquisition to capture the most relevant data for each specific case. This is followed by a DL-based reconstruction module that produces images optimized for accurate deformation field estimation from the undersampled moving data. Finally, a registration module estimates the deformation fields aligning the reconstructed dynamic images with a static reference. The proposed framework is independent of specific reconstruction and registration modules allowing for plug-and-play integration of these components. The entire framework is jointly trained using a combination of supervised and unsupervised loss functions, enabling end-to-end optimization for improved performance across all components. Through controlled experiments and ablation studies, we validate each component, demonstrating that each choice contributes to robust motion estimation from undersampled dynamic data.

  • 3 authors
·
Mar 20, 2025

Sampling-based sublinear low-rank matrix arithmetic framework for dequantizing quantum machine learning

We present an algorithmic framework for quantum-inspired classical algorithms on close-to-low-rank matrices, generalizing the series of results started by Tang's breakthrough quantum-inspired algorithm for recommendation systems [STOC'19]. Motivated by quantum linear algebra algorithms and the quantum singular value transformation (SVT) framework of Gilyén, Su, Low, and Wiebe [STOC'19], we develop classical algorithms for SVT that run in time independent of input dimension, under suitable quantum-inspired sampling assumptions. Our results give compelling evidence that in the corresponding QRAM data structure input model, quantum SVT does not yield exponential quantum speedups. Since the quantum SVT framework generalizes essentially all known techniques for quantum linear algebra, our results, combined with sampling lemmas from previous work, suffice to generalize all recent results about dequantizing quantum machine learning algorithms. In particular, our classical SVT framework recovers and often improves the dequantization results on recommendation systems, principal component analysis, supervised clustering, support vector machines, low-rank regression, and semidefinite program solving. We also give additional dequantization results on low-rank Hamiltonian simulation and discriminant analysis. Our improvements come from identifying the key feature of the quantum-inspired input model that is at the core of all prior quantum-inspired results: ell^2-norm sampling can approximate matrix products in time independent of their dimension. We reduce all our main results to this fact, making our exposition concise, self-contained, and intuitive.

  • 6 authors
·
Jul 9, 2023

One-Way Ticket:Time-Independent Unified Encoder for Distilling Text-to-Image Diffusion Models

Text-to-Image (T2I) diffusion models have made remarkable advancements in generative modeling; however, they face a trade-off between inference speed and image quality, posing challenges for efficient deployment. Existing distilled T2I models can generate high-fidelity images with fewer sampling steps, but often struggle with diversity and quality, especially in one-step models. From our analysis, we observe redundant computations in the UNet encoders. Our findings suggest that, for T2I diffusion models, decoders are more adept at capturing richer and more explicit semantic information, while encoders can be effectively shared across decoders from diverse time steps. Based on these observations, we introduce the first Time-independent Unified Encoder TiUE for the student model UNet architecture, which is a loop-free image generation approach for distilling T2I diffusion models. Using a one-pass scheme, TiUE shares encoder features across multiple decoder time steps, enabling parallel sampling and significantly reducing inference time complexity. In addition, we incorporate a KL divergence term to regularize noise prediction, which enhances the perceptual realism and diversity of the generated images. Experimental results demonstrate that TiUE outperforms state-of-the-art methods, including LCM, SD-Turbo, and SwiftBrushv2, producing more diverse and realistic results while maintaining the computational efficiency.

  • 10 authors
·
May 28, 2025 2

Greedy Multi-Path Block Verification for Faster Decoding in Speculative Sampling

The goal of L-step speculative decoding is to accelerate autoregressive decoding of a target model by using a cheaper draft model to generate a candidate path of L tokens. Based on a verification algorithm involving target and draft model probabilities, a prefix of the candidate sequence is accepted, and an additional correction token is sampled from a residual distribution to ensure that the final output adheres to the target distribution. While standard speculative decoding uses a verification algorithm which is independent at each token on the path, a recent extension called block verification uses a joint condition involving all sampled on-path probabilities. Block verification (BV) was shown to be optimal over all verification algorithms which use only on-path probabilities, improving on standard speculative decoding. In this work, we first show that block verification is optimal even over verification algorithms that use off-path probabilities, by constructing an information-agnostic linear program (LP). Further, we can extend our LP to the setting where the draft model samples multiple candidate paths, and use it to construct a natural class of multi-path block verification generalizations. While computing the optimal algorithm in this class is not tractable, by considering a stricter class of greedy algorithms, we can formulate an efficient method called greedy multi-path block verification (GBV). Empirically, GBV can improve block efficiency by over 30% and reduce decoding walltimes by over 15% relative to BV. On Llama-3 70B, GBV can improve the end-to-end decoding throughput over SOTA multi-path verification methods by more than 15%.

  • 2 authors
·
Feb 17

PRISM: PRior-guided Imagination Sampling in world Models

A learned world model provides a powerful physical intuition for evaluating future states. But its effectiveness in continuous control also depends critically on how candidate actions are generated for model-based planning. Rather than solely asking how accurately a model can simulate the future, we ask: which candidate actions are worth evaluating in the first place? Existing planners typically search arbitrarily or use expert demonstrations only to initialize a sampling mean, discarding the expert's state-conditioned confidence. Properly guiding this search requires a robust action prior, yet current approaches often rely on independent visual encoders or large-scale VLMs to obtain one. We argue that this architectural bloat is unnecessary: the exact same data - and the learned representations of the world model itself - inherently encode the agent's action intuition. We introduce PRISM, a task-agnostic framework that extracts both from a single dataset while maintaining strict architectural simplicity. Building on a standard JEPA-style latent world model, PRISM attaches a lightweight MLP directly to its frozen encoder to predict a state-conditioned Gaussian prior. At plan time, PRISM fuses this prior into the planner's sampling distribution via a precision-weighted Product-of-Gaussians update. This parameter-free, closed-form integration steers the sampling process, making the prior confident where it is and ceding control where it is not. PRISM improves success rates by 35 percentage points over vanilla world-model-based MPC on Cube and 32 percentage points on PushT, without introducing significant inference overhead.

Weighted least-squares approximation with determinantal point processes and generalized volume sampling

We consider the problem of approximating a function from L^2 by an element of a given m-dimensional space V_m, associated with some feature map varphi, using evaluations of the function at random points x_1,dots,x_n. After recalling some results on optimal weighted least-squares using independent and identically distributed points, we consider weighted least-squares using projection determinantal point processes (DPP) or volume sampling. These distributions introduce dependence between the points that promotes diversity in the selected features varphi(x_i). We first provide a generalized version of volume-rescaled sampling yielding quasi-optimality results in expectation with a number of samples n = O(mlog(m)), that means that the expected L^2 error is bounded by a constant times the best approximation error in L^2. Also, further assuming that the function is in some normed vector space H continuously embedded in L^2, we further prove that the approximation is almost surely bounded by the best approximation error measured in the H-norm. This includes the cases of functions from L^infty or reproducing kernel Hilbert spaces. Finally, we present an alternative strategy consisting in using independent repetitions of projection DPP (or volume sampling), yielding similar error bounds as with i.i.d. or volume sampling, but in practice with a much lower number of samples. Numerical experiments illustrate the performance of the different strategies.

  • 2 authors
·
Dec 21, 2023

Efficient estimation of multiple expectations with the same sample by adaptive importance sampling and control variates

Some classical uncertainty quantification problems require the estimation of multiple expectations. Estimating all of them accurately is crucial and can have a major impact on the analysis to perform, and standard existing Monte Carlo methods can be costly to do so. We propose here a new procedure based on importance sampling and control variates for estimating more efficiently multiple expectations with the same sample. We first show that there exists a family of optimal estimators combining both importance sampling and control variates, which however cannot be used in practice because they require the knowledge of the values of the expectations to estimate. Motivated by the form of these optimal estimators and some interesting properties, we therefore propose an adaptive algorithm. The general idea is to adaptively update the parameters of the estimators for approaching the optimal ones. We suggest then a quantitative stopping criterion that exploits the trade-off between approaching these optimal parameters and having a sufficient budget left. This left budget is then used to draw a new independent sample from the final sampling distribution, allowing to get unbiased estimators of the expectations. We show how to apply our procedure to sensitivity analysis, by estimating Sobol' indices and quantifying the impact of the input distributions. Finally, realistic test cases show the practical interest of the proposed algorithm, and its significant improvement over estimating the expectations separately.

  • 3 authors
·
Nov 30, 2022

Geometric Reliability of Neural Population Codes: Sampling Calibration and Within-Session Nonstationarity

Trial-to-trial variability limits how reliably neural population geometry can be estimated, while comparisons across populations depend on neuron and trial counts, response quality, and clustered sampling. We quantified within-session geometric reliability using Shesha, the Spearman correlation between representational dissimilarity matrices estimated from independent trial subsets, in all 39 Steinmetz Neuropixels sessions and in olfactory bulb and piriform cortex recordings from Bolding and Franks. Steinmetz analyses matched neurons and repetitions, compared observed reliability with a stationary residual-bootstrap expectation, and used mouse-level or mouse-clustered inference. Mean matched reliability was 0.0402 across 312 area-by-session recordings. Regional differences and reliability above the stationary benchmark did not survive correction. Temporal effects received the strongest support: interleaving early and late trials increased reliability relative to blocked allocation (Δ=0.02666, q=0.001953), and RDM similarity declined with within-session lag (mean mouse-level slope =-0.01912, q=0.001953; n=10 mice). Outer-cross-fitted reliability was not associated with choice-direction coupling or stimulus or response-direction decoding after correction. Olfactory comparisons remained descriptive because few paired sessions and no animal identities were available. In held-out simulations, associative recurrence outperformed feedforward subspace denoising but not divisive normalization. Representational geometry became less reproducible with temporal separation within a session, and comparisons across neural populations require sampling calibration and independent inference.

  • 1 authors
·
Sep 6 2

Free Lunch for Pass@$k$? Low Cost Diverse Sampling for Diffusion Language Models

Diverse outputs in text generation are necessary for effective exploration in complex reasoning tasks, such as code generation and mathematical problem solving. Such Pass@k problems benefit from distinct candidates covering the solution space. However, traditional sampling approaches often waste computational resources on repetitive failure modes. While Diffusion Language Models have emerged as a competitive alternative to the prevailing Autoregressive paradigm, they remain susceptible to this redundancy, with independent samples frequently collapsing into similar modes. To address this, we propose a training free, low cost intervention to enhance generative diversity in Diffusion Language Models. Our approach modifies intermediate samples in a batch sequentially, where each sample is repelled from the feature space of previous samples, actively penalising redundancy. Unlike prior methods that require retraining or beam search, our strategy incurs negligible computational overhead, while ensuring that each sample contributes a unique perspective to the batch. We evaluate our method on the HumanEval and GSM8K benchmarks using the LLaDA-8B-Instruct model. Our results demonstrate significantly improved diversity and Pass@k performance across various temperature settings. As a simple modification to the sampling process, our method offers an immediate, low-cost improvement for current and future Diffusion Language Models in tasks that benefit from diverse solution search. We make our code available at https://github.com/sean-lamont/odd.

  • 5 authors
·
Mar 5 2

New Philosopher Inequalities for Online Bayesian Matching, via Pivotal Sampling

We study the polynomial-time approximability of the optimal online stochastic bipartite matching algorithm, initiated by Papadimitriou et al. (EC'21). Here, nodes on one side of the graph are given upfront, while at each time t, an online node and its edge weights are drawn from a time-dependent distribution. The optimal algorithm is PSPACE-hard to approximate within some universal constant. We refer to this optimal algorithm, which requires time to think (compute), as a philosopher, and refer to polynomial-time online approximations of the above as philosopher inequalities. The best known philosopher inequality for online matching yields a 0.652-approximation. In contrast, the best possible prophet inequality, or approximation of the optimum offline solution, is 0.5. Our main results are a 0.678-approximate algorithm and a 0.685-approximation for a vertex-weighted special case. Notably, both bounds exceed the 0.666-approximation of the offline optimum obtained by Tang, Wu, and Wu (STOC'22) for the vertex-weighted problem. Building on our algorithms and the recent black-box reduction of Banihashem et al. (SODA'24), we provide polytime (pricing-based) truthful mechanisms which 0.678-approximate the social welfare of the optimal online allocation for bipartite matching markets. Our online allocation algorithm relies on the classic pivotal sampling algorithm (Srinivasan FOCS'01, Gandhi et al. J.ACM'06), along with careful discarding to obtain negative correlations between offline nodes. Consequently, the analysis boils down to examining the distribution of a weighted sum X of negatively correlated Bernoulli variables, specifically lower bounding its mass below a threshold, E[min(1,X)], of possible independent interest. Interestingly, our bound relies on an imaginary invocation of pivotal sampling.

  • 5 authors
·
Jul 21, 2024

Evaluating Binary Decision Biases in Large Language Models: Implications for Fair Agent-Based Financial Simulations

Large Language Models (LLMs) are increasingly being used to simulate human-like decision making in agent-based financial market models (ABMs). As models become more powerful and accessible, researchers can now incorporate individual LLM decisions into ABM environments. However, integration may introduce inherent biases that need careful evaluation. In this paper we test three state-of-the-art GPT models for bias using two model sampling approaches: one-shot and few-shot API queries. We observe significant variations in distributions of outputs between specific models, and model sub versions, with GPT-4o-Mini-2024-07-18 showing notably better performance (32-43% yes responses) compared to GPT-4-0125-preview's extreme bias (98-99% yes responses). We show that sampling methods and model sub-versions significantly impact results: repeated independent API calls produce different distributions compared to batch sampling within a single call. While no current GPT model can simultaneously achieve a uniform distribution and Markovian properties in one-shot testing, few-shot sampling can approach uniform distributions under certain conditions. We explore the Temperature parameter, providing a definition and comparative results. We further compare our results to true random binary series and test specifically for the common human bias of Negative Recency - finding LLMs have a mixed ability to 'beat' humans in this one regard. These findings emphasise the critical importance of careful LLM integration into ABMs for financial markets and more broadly.

  • 2 authors
·
Jan 20, 2025

Residual Denoising Diffusion Models

Current diffusion-based image restoration methods feed degraded input images as conditions into the noise estimation network. However, interpreting this diffusion process is challenging since it essentially generates the target image from the noise. To establish a unified and more interpretable model for image generation and restoration, we propose residual denoising diffusion models (RDDM). In contrast to existing diffusion models (e.g., DDPM or DDIM) that focus solely on noise estimation, our RDDM predicts residuals to represent directional diffusion from the target domain to the input domain, while concurrently estimating noise to account for random perturbations in the diffusion process. The introduction of residuals allows us to redefine the forward diffusion process, wherein the target image progressively diffuses into a purely noisy image or a noise-carrying input image, thus unifying image generation and restoration. We demonstrate that our sampling process is consistent with that of DDPM and DDIM through coefficient transformation, and propose a partially path-independent generation process to better understand the reverse process. Notably, with native support for conditional inputs, our RDDM enables a generic UNet, trained with only an ell _1 loss and a batch size of 1, to compete with state-of-the-art image restoration methods. We provide code and pre-trained models to encourage further exploration, application, and development of our innovative framework (https://github.com/nachifur/RDDM).

  • 6 authors
·
Aug 25, 2023

The JEPA Paradox in Language: The Geometry of Linguistic Alternatives

Joint-Embedding Predictive Architectures (JEPAs) are effective for images, video, and audio, yet deterministic JEPA-style latent prediction has not become a standard objective for text encoders. We argue that this gap reflects a mismatch between squared-error latent prediction and the conditional structure of language. The key requirement is conditional concentration: given a context and target location, the target representation should lie near a single meaningful point. Local image prediction often satisfies this through spatial continuity, whereas masked text can admit multiple valid token or span completions whose representations need not share a coherent center. We formalize this mismatch through three conditions---predictability, non-collapse, and low conditional variance---and show how their failure creates centroid degeneracy and collapse pressure in text. Matched I-JEPA and T-JEPA experiments reveal the predicted sequence: mutual-information saturation and elevated target variance precede train--validation instability, effective-rank degeneration, cosine collapse, and poor downstream transfer. The same pattern appears across five independent data seeds, indicating that it is not a sampling artifact. These results do not rule out predictive learning for language; they show that text-compatible JEPA objectives must preserve multiple plausible completions rather than compress them into a single latent point.

  • 2 authors
·
Jul 25

Diffusion-Based Quality Control of Medical Image Segmentations across Organs

Medical image segmentation using deep learning (DL) has enabled the development of automated analysis pipelines for large-scale population studies. However, state-of-the-art DL methods are prone to hallucinations, which can result in anatomically implausible segmentations. With manual correction impractical at scale, automated quality control (QC) techniques have to address the challenge. While promising, existing QC methods are organ-specific, limiting their generalizability and usability beyond their original intended task. To overcome this limitation, we propose no-new Quality Control (nnQC), a robust QC framework based on a diffusion-generative paradigm that self-adapts to any input organ dataset. Central to nnQC is a novel Team of Experts (ToE) architecture, where two specialized experts independently encode 3D spatial awareness, represented by the relative spatial position of an axial slice, and anatomical information derived from visual features from the original image. A weighted conditional module dynamically combines the pair of independent embeddings, or opinions to condition the sampling mechanism within a diffusion process, enabling the generation of a spatially aware pseudo-ground truth for predicting QC scores. Within its framework, nnQC integrates fingerprint adaptation to ensure adaptability across organs, datasets, and imaging modalities. We evaluated nnQC on seven organs using twelve publicly available datasets. Our results demonstrate that nnQC consistently outperforms state-of-the-art methods across all experiments, including cases where segmentation masks are highly degraded or completely missing, confirming its versatility and effectiveness across different organs.

  • 7 authors
·
Mar 29

Kineo: Calibration-Free Metric Motion Capture From Sparse RGB Cameras

Markerless multiview motion capture is often constrained by the need for precise camera calibration, limiting accessibility for non-experts and in-the-wild captures. Existing calibration-free approaches mitigate this requirement but suffer from high computational cost and reduced reconstruction accuracy. We present Kineo, a fully automatic, calibration-free pipeline for markerless motion capture from videos captured by unsynchronized, uncalibrated, consumer-grade RGB cameras. Kineo leverages 2D keypoints from off-the-shelf detectors to simultaneously calibrate cameras, including Brown-Conrady distortion coefficients, and reconstruct 3D keypoints and dense scene point maps at metric scale. A confidence-driven spatio-temporal keypoint sampling strategy, combined with graph-based global optimization, ensures robust calibration at a fixed computational cost independent of sequence length. We further introduce a pairwise reprojection consensus score to quantify 3D reconstruction reliability for downstream tasks. Evaluations on EgoHumans and Human3.6M demonstrate substantial improvements over prior calibration-free methods. Compared to previous state-of-the-art approaches, Kineo reduces camera translation error by approximately 83-85%, camera angular error by 86-92%, and world mean-per-joint error (W-MPJPE) by 83-91%. Kineo is also efficient in real-world scenarios, processing multi-view sequences faster than their duration in specific configuration (e.g., 36min to process 1h20min of footage). The full pipeline and evaluation code are openly released to promote reproducibility and practical adoption at https://liris-xr.github.io/kineo/.

  • 3 authors
·
Oct 28, 2025

NoiseGate: Learning Per-Latent Timestep Schedules as Information Gating in World Action Models

World Action Models (WAMs) are an emerging family of policies that tie robot action generation to future-observation modeling. In this work, we focus on the joint video--action modeling paradigm, where actions and imagined future observations are co-generated along a shared denoising or flow trajectory, so that perception, prediction, and control are coupled within one generative process. Existing WAMs typically realize this paradigm with a Mixture-of-Transformers (MoT), where video and action tokens interact through shared self-attention. This architecture can in principle assign a separate timestep t_f to each predicted latent frame, yet current systems collapse this degree of freedom onto a single shared scalar t. Under the noise-as-masking view of Diffusion Forcing, this shared schedule imposes the unjustified prior that every predicted latent is equally reliable for action generation. We instead view the per-latent schedule as a learnable information-gating policy: by changing a latent frame's noise level, the policy modulates the reliability of its Key/Value contribution to the action tokens. We propose NoiseGate, which combines independent per-latent timestep sampling during backbone training, a lightweight Gating Policy Network that emits per-latent time increments during denoising, and task-reward optimization that trains the schedule policy without hand-crafted shape priors. Built on a joint video--action MoT backbone, NoiseGate delivers consistent gains on diverse RoboTwin random-scene manipulation tasks.

  • 11 authors
·
May 7

Cross-Domain Keyword Extraction with Keyness Patterns

Domain dependence and annotation subjectivity pose challenges for supervised keyword extraction. Based on the premises that second-order keyness patterns are existent at the community level and learnable from annotated keyword extraction datasets, this paper proposes a supervised ranking approach to keyword extraction that ranks keywords with keyness patterns consisting of independent features (such as sublanguage domain and term length) and three categories of dependent features -- heuristic features, specificity features, and representavity features. The approach uses two convolutional-neural-network based models to learn keyness patterns from keyword datasets and overcomes annotation subjectivity by training the two models with bootstrap sampling strategy. Experiments demonstrate that the approach not only achieves state-of-the-art performance on ten keyword datasets in general supervised keyword extraction with an average top-10-F-measure of 0.316 , but also robust cross-domain performance with an average top-10-F-measure of 0.346 on four datasets that are excluded in the training process. Such cross-domain robustness is attributed to the fact that community-level keyness patterns are limited in number and temperately independent of language domains, the distinction between independent features and dependent features, and the sampling training strategy that balances excess risk and lack of negative training data.

  • 2 authors
·
Sep 27, 2024

Parallel Diffusion Solver via Residual Dirichlet Policy Optimization

Diffusion models (DMs) have achieved state-of-the-art generative performance but suffer from high sampling latency due to their sequential denoising nature. Existing solver-based acceleration methods often face significant image quality degradation under a low-latency budget, primarily due to accumulated truncation errors arising from the inability to capture high-curvature trajectory segments. In this paper, we propose the Ensemble Parallel Direction solver (dubbed as EPD-Solver), a novel ODE solver that mitigates these errors by incorporating multiple parallel gradient evaluations in each step. Motivated by the geometric insight that sampling trajectories are largely confined to a low-dimensional manifold, EPD-Solver leverages the Mean Value Theorem for vector-valued functions to approximate the integral solution more accurately. Importantly, since the additional gradient computations are independent, they can be fully parallelized, preserving low-latency sampling nature. We introduce a two-stage optimization framework. Initially, EPD-Solver optimizes a small set of learnable parameters via a distillation-based approach. We further propose a parameter-efficient Reinforcement Learning (RL) fine-tuning scheme that reformulates the solver as a stochastic Dirichlet policy. Unlike traditional methods that fine-tune the massive backbone, our RL approach operates strictly within the low-dimensional solver space, effectively mitigating reward hacking while enhancing performance in complex text-to-image (T2I) generation tasks. In addition, our method is flexible and can serve as a plugin (EPD-Plugin) to improve existing ODE samplers.

  • 8 authors
·
Mar 4

Towards energy-insensitive and robust neutron/gamma classification: A learning-based frequency-domain parametric approach

Neutron/gamma discrimination has been intensively researched in recent years, due to its unique scientific value and widespread applications. With the advancement of detection materials and algorithms, nowadays we can achieve fairly good discrimination. However, further improvements rely on better utilization of detector raw signals, especially energy-independent pulse characteristics. We begin by discussing why figure-of-merit (FoM) is not a comprehensive criterion for high-precision neutron/gamma discriminators, and proposing a new evaluation method based on adversarial sampling. Inspired by frequency-domain analysis in existing literature, parametric linear/nonlinear models with minimum complexity are created, upon the discrete spectrum, with tunable parameters just as neural networks. We train the models on an open-source neutron/gamma dataset (CLYC crystals with silicon photomultipliers) preprocessed by charge normalization to discover and exploit energy-independent features. The performance is evaluated on different sampling rates and noise levels, in comparison with the frequency classification index and conventional methods. The frequency-domain parametric models show higher accuracy and better adaptability to variations of data integrity than other discriminators. The proposed method is also promising for online inference on economical hardware and portable devices.

  • 4 authors
·
May 26, 2025

Scaling Laws for Multilingual Language Models

We propose a novel scaling law for general-purpose decoder-only language models (LMs) trained on multilingual data, tackling the problem of balancing languages during multilingual pretraining. A primary challenge in studying multilingual scaling is the difficulty of analyzing individual language performance due to cross-lingual transfer. To address this, we shift the focus from individual languages to language families. We introduce and validate a hypothesis that the test cross-entropy loss for each language family is determined solely by its own sampling ratio, independent of other languages in the mixture. This insight simplifies the complexity of multilingual scaling and make the analysis scalable to an arbitrary number of languages. Building on this hypothesis, we derive a power-law relationship that links performance with dataset size, model size and sampling ratios. This relationship enables us to predict performance across various combinations of the above three quantities, and derive the optimal sampling ratios at different model scales. To demonstrate the effectiveness and accuracy of our proposed scaling law, we perform a large-scale empirical study, training more than 100 models on 23 languages spanning 5 language families. Our experiments show that the optimal sampling ratios derived from small models (85M parameters) generalize effectively to models that are several orders of magnitude larger (1.2B parameters), offering a resource-efficient approach for multilingual LM training at scale.

  • 9 authors
·
Oct 15, 2024

Is There No Such Thing as a Bad Question? H4R: HalluciBot For Ratiocination, Rewriting, Ranking, and Routing

Hallucination continues to be one of the most critical challenges in the institutional adoption journey of Large Language Models (LLMs). While prior studies have primarily focused on the post-generation analysis and refinement of outputs, this paper centers on the effectiveness of queries in eliciting accurate responses from LLMs. We present HalluciBot, a model that estimates the query's propensity to hallucinate before generation, without invoking any LLMs during inference. HalluciBot can serve as a proxy reward model for query rewriting, offering a general framework to estimate query quality based on accuracy and consensus. In essence, HalluciBot investigates how poorly constructed queries can lead to erroneous outputs - moreover, by employing query rewriting guided by HalluciBot's empirical estimates, we demonstrate that 95.7% output accuracy can be achieved for Multiple Choice questions. The training procedure for HalluciBot consists of perturbing 369,837 queries n times, employing n+1 independent LLM agents, sampling an output from each query, conducting a Multi-Agent Monte Carlo simulation on the sampled outputs, and training an encoder classifier. The idea of perturbation is the outcome of our ablation studies that measures the increase in output diversity (+12.5 agreement spread) by perturbing a query in lexically different but semantically similar ways. Therefore, HalluciBot paves the way to ratiocinate (76.0% test F1 score, 46.6% in saved computation on hallucinatory queries), rewrite (+30.2% positive class transition from hallucinatory to non-hallucinatory), rank (+50.6% positive class transition from hallucinatory to non-hallucinatory), and route queries to effective pipelines.

  • 3 authors
·
Apr 18, 2024

Development and evaluation of intraoperative ultrasound segmentation with negative image frames and multiple observer labels

When developing deep neural networks for segmenting intraoperative ultrasound images, several practical issues are encountered frequently, such as the presence of ultrasound frames that do not contain regions of interest and the high variance in ground-truth labels. In this study, we evaluate the utility of a pre-screening classification network prior to the segmentation network. Experimental results demonstrate that such a classifier, minimising frame classification errors, was able to directly impact the number of false positive and false negative frames. Importantly, the segmentation accuracy on the classifier-selected frames, that would be segmented, remains comparable to or better than those from standalone segmentation networks. Interestingly, the efficacy of the pre-screening classifier was affected by the sampling methods for training labels from multiple observers, a seemingly independent problem. We show experimentally that a previously proposed approach, combining random sampling and consensus labels, may need to be adapted to perform well in our application. Furthermore, this work aims to share practical experience in developing a machine learning application that assists highly variable interventional imaging for prostate cancer patients, to present robust and reproducible open-source implementations, and to report a set of comprehensive results and analysis comparing these practical, yet important, options in a real-world clinical application.

  • 11 authors
·
Jul 28, 2021

Your Absorbing Discrete Diffusion Secretly Models the Conditional Distributions of Clean Data

Discrete diffusion models with absorbing processes have shown promise in language modeling. The key quantities to be estimated are the ratios between the marginal probabilities of two transitive states at all timesteps, called the concrete score. In this paper, we reveal that the concrete score in absorbing diffusion can be expressed as conditional probabilities of clean data, multiplied by a time-dependent scalar in an analytic form. Motivated by this finding, we propose reparameterized absorbing discrete diffusion (RADD), a dedicated diffusion model without time-condition that characterizes the time-independent conditional probabilities. Besides its simplicity, RADD can reduce the number of function evaluations (NFEs) by caching the output of the time-independent network when the noisy sample remains unchanged in a sampling interval. Empirically, RADD is up to 3.5 times faster while achieving similar performance with the strongest baseline. Built upon the new perspective of conditional distributions, we further unify absorbing discrete diffusion and any-order autoregressive models (AO-ARMs), showing that the upper bound on the negative log-likelihood for the diffusion model can be interpreted as an expected negative log-likelihood for AO-ARMs. Further, our RADD models achieve SOTA performance among diffusion models on 5 zero-shot language modeling benchmarks (measured by perplexity) at the GPT-2 scale. Our code is available at https://github.com/ML-GSAI/RADD.

  • 7 authors
·
Jun 6, 2024

Faster Algorithms for Text-to-Pattern Hamming Distances

We study the classic Text-to-Pattern Hamming Distances problem: given a pattern P of length m and a text T of length n, both over a polynomial-size alphabet, compute the Hamming distance between P and T[i, ., . , i+m-1] for every shift i, under the standard Word-RAM model with Theta(log n)-bit words. - We provide an O(nm) time Las Vegas randomized algorithm for this problem, beating the decades-old O(n m log m) running time [Abrahamson, SICOMP 1987]. We also obtain a deterministic algorithm, with a slightly higher O(nm(log mloglog m)^{1/4}) running time. Our randomized algorithm extends to the k-bounded setting, with running time Obig(n+nk{m}big), removing all the extra logarithmic factors from earlier algorithms [Gawrychowski and Uzna\'{n}ski, ICALP 2018; Chan, Golan, Kociumaka, Kopelowitz and Porat, STOC 2020]. - For the (1+epsilon)-approximate version of Text-to-Pattern Hamming Distances, we give an O(epsilon^{-0.93}n) time Monte Carlo randomized algorithm, beating the previous O(epsilon^{-1}n) running time [Kopelowitz and Porat, FOCS 2015; Kopelowitz and Porat, SOSA 2018]. Our approximation algorithm exploits a connection with 3SUM, and uses a combination of Fredman's trick, equality matrix product, and random sampling; in particular, we obtain new results on approximate counting versions of 3SUM and Exact Triangle, which may be of independent interest. Our exact algorithms use a novel combination of hashing, bit-packed FFT, and recursion; in particular, we obtain a faster algorithm for computing the sumset of two integer sets, in the regime when the universe size is close to quadratic in the number of elements. We also prove a fine-grained equivalence between the exact Text-to-Pattern Hamming Distances problem and a range-restricted, counting version of 3SUM.

  • 4 authors
·
Oct 19, 2023

SCOPE-Router: Cost-Aware Open-Set VLM Routing for Execution-Oriented Tasks

Model routing aims to select the most suitable model from a candidate pool for each query, balancing quality and cost. Existing VLM routing research is limited to traditional VQA evaluation, lacks systematic calibration optimization for open-set scenarios, and employs training objectives that dilute multi-positive signals via softmax normalization without incorporating cost. We address these limitations with three contributions: (1)VLM-ExecRouterBench, the first execution-oriented VLM routing benchmark covering Code, Agentic, and Search domains with 11 candidate models spanning nearly two orders of magnitude in pricing; (2)SCOPE-Router, a dual-tower router that matches queries to model behavior profiles constructed via hybrid calibration (random/diagnostic/diversity sampling), enabling new models to join routing without retraining; (3)CRM+RCCR, an architecture-agnostic cost-aware objective that encodes cost preference into continuous relevance targets through per-pair independent scoring, eliminating multi-positive dilution while regularizing queries with similar routing preferences to be closer in the routing space. Empirically, SCOPE-Router achieves the best Rank Score on all three benchmarks, surpassing the runner-up by 1.84 points under OOD settings and by 6.75 points under doubly OOD open-set evaluation. When applied to four diverse routers, CRM+RCCR improves Rank Score by 1.25--6.21 points.

  • 17 authors
·
Aug 11

Blackbox Model Provenance via Palimpsestic Membership Inference

Suppose Alice trains an open-weight language model and Bob uses a blackbox derivative of Alice's model to produce text. Can Alice prove that Bob is using her model, either by querying Bob's derivative model (query setting) or from the text alone (observational setting)? We formulate this question as an independence testing problem--in which the null hypothesis is that Bob's model or text is independent of Alice's randomized training run--and investigate it through the lens of palimpsestic memorization in language models: models are more likely to memorize data seen later in training, so we can test whether Bob is using Alice's model using test statistics that capture correlation between Bob's model or text and the ordering of training examples in Alice's training run. If Alice has randomly shuffled her training data, then any significant correlation amounts to exactly quantifiable statistical evidence against the null hypothesis, regardless of the composition of Alice's training data. In the query setting, we directly estimate (via prompting) the likelihood Bob's model gives to Alice's training examples and order; we correlate the likelihoods of over 40 fine-tunes of various Pythia and OLMo base models ranging from 1B to 12B parameters with the base model's training data order, achieving a p-value on the order of at most 1e-8 in all but six cases. In the observational setting, we try two approaches based on estimating 1) the likelihood of Bob's text overlapping with spans of Alice's training examples and 2) the likelihood of Bob's text with respect to different versions of Alice's model we obtain by repeating the last phase (e.g., 1%) of her training run on reshuffled data. The second approach can reliably distinguish Bob's text from as little as a few hundred tokens; the first does not involve any retraining but requires many more tokens (several hundred thousand) to achieve high power.

  • 6 authors
·
Oct 22, 2025

Efficient Prediction of Pass@k Scaling in Large Language Models

Assessing the capabilities and risks of frontier AI systems is a critical area of research, and recent work has shown that repeated sampling from models can dramatically increase both. For instance, repeated sampling has been shown to increase their capabilities, such as solving difficult math and coding problems, but it has also been shown to increase their potential for harm, such as being jailbroken. Such results raise a crucial question for both capability and safety forecasting: how can one accurately predict a model's behavior when scaled to a massive number of attempts, given a vastly smaller sampling budget? This question is directly relevant to model providers, who serve hundreds of millions of users daily, and to governmental regulators, who seek to prevent harms. To answer this questions, we make three contributions. First, we find that standard methods for fitting these laws suffer from statistical shortcomings that hinder predictive accuracy, especially in data-limited scenarios. Second, we remedy these shortcomings by introducing a robust estimation framework, which uses a beta-binomial distribution to generate more accurate predictions from limited data. Third, we propose a dynamic sampling strategy that allocates a greater budget to harder problems. Combined, these innovations enable more reliable prediction of rare risks and capabilities at a fraction of the computational cost.

  • 7 authors
·
Oct 5, 2025

Sharper Bounds for ell_p Sensitivity Sampling

In large scale machine learning, random sampling is a popular way to approximate datasets by a small representative subset of examples. In particular, sensitivity sampling is an intensely studied technique which provides provable guarantees on the quality of approximation, while reducing the number of examples to the product of the VC dimension d and the total sensitivity mathfrak S in remarkably general settings. However, guarantees going beyond this general bound of mathfrak S d are known in perhaps only one setting, for ell_2 subspace embeddings, despite intense study of sensitivity sampling in prior work. In this work, we show the first bounds for sensitivity sampling for ell_p subspace embeddings for pneq 2 that improve over the general mathfrak S d bound, achieving a bound of roughly mathfrak S^{2/p} for 1leq p<2 and mathfrak S^{2-2/p} for 2<p<infty. For 1leq p<2, we show that this bound is tight, in the sense that there exist matrices for which mathfrak S^{2/p} samples is necessary. Furthermore, our techniques yield further new results in the study of sampling algorithms, showing that the root leverage score sampling algorithm achieves a bound of roughly d for 1leq p<2, and that a combination of leverage score and sensitivity sampling achieves an improved bound of roughly d^{2/p}mathfrak S^{2-4/p} for 2<p<infty. Our sensitivity sampling results yield the best known sample complexity for a wide class of structured matrices that have small ell_p sensitivity.

  • 2 authors
·
Jun 1, 2023

Data Quality Profiling at Scale with Progressive Sampling: A Benchmark for Data-Centric AI Pipelines

Data quality profiling -- computing missing-value rates, duplicate fractions, outlier densities, and functional-dependency violations -- is foundational for data-centric AI pipelines, yet exhaustive scans over millions of rows are prohibitively slow for near-real-time monitoring. Progressive sampling is the standard alternative; the open question is which strategy best preserves profile fidelity at scale. We benchmark nine sampling strategies -- blind (random uniform, geometric, Yamane, cluster) and proxy-guided (Metropolis-Hastings, DAG, stratified by column type or quality score, importance-weighted) -- on three real-world datasets (NYC 311, NYPD arrests, UCI Adult; up to 500K rows), an IoT sensor stream (2.3M rows), two ultra-large real datasets including Ultra-Marathon Running (up to 7.4M rows), and synthetic data scaled to 5x10^6 rows. Contrary to the assumption sharpens estimates, blind representative samplers dominate uniformly. At a 5% budget, random uniform achieves 0.49% mean relative error on NYC 311; DAG-guided MCMC yields 19.5% (approx. 40x worse), and across all real datasets DAG is 11-49x worse (Wilcoxon W=0, p=0.002, n=9 pairs). Cluster sampling matches random uniform (MRE 0.110 vs. 0.111); proxy-guided methods share DAG's failure mode (MRE 0.20-0.35). At scale, random uniform is near-linear (O(N^{0.964})) while DAG is super-linear (O(N^{1.272})), running 28--47x slower on ultra-large data with 6x worse accuracy. The root cause is an IQR proxy mismatch: proxy-guided samplers over-pursue numeric outliers, while quality defects concentrate in categorical columns invisible to the proxy. The actionable finding: representativeness, not domain knowledge, determines sampler quality -- schema-free random uniform or cluster sampling suffices for production-grade quality profiling at scale.

  • 1 authors
·
Jul 27

Don't Play Favorites: Minority Guidance for Diffusion Models

We explore the problem of generating minority samples using diffusion models. The minority samples are instances that lie on low-density regions of a data manifold. Generating a sufficient number of such minority instances is important, since they often contain some unique attributes of the data. However, the conventional generation process of the diffusion models mostly yields majority samples (that lie on high-density regions of the manifold) due to their high likelihoods, making themselves ineffective and time-consuming for the minority generating task. In this work, we present a novel framework that can make the generation process of the diffusion models focus on the minority samples. We first highlight that Tweedie's denoising formula yields favorable results for majority samples. The observation motivates us to introduce a metric that describes the uniqueness of a given sample. To address the inherent preference of the diffusion models w.r.t. the majority samples, we further develop minority guidance, a sampling technique that can guide the generation process toward regions with desired likelihood levels. Experiments on benchmark real datasets demonstrate that our minority guidance can greatly improve the capability of generating high-quality minority samples over existing generative samplers. We showcase that the performance benefit of our framework persists even in demanding real-world scenarios such as medical imaging, further underscoring the practical significance of our work. Code is available at https://github.com/soobin-um/minority-guidance.

  • 3 authors
·
Jan 28, 2023

How much is a noisy image worth? Data Scaling Laws for Ambient Diffusion

The quality of generative models depends on the quality of the data they are trained on. Creating large-scale, high-quality datasets is often expensive and sometimes impossible, e.g. in certain scientific applications where there is no access to clean data due to physical or instrumentation constraints. Ambient Diffusion and related frameworks train diffusion models with solely corrupted data (which are usually cheaper to acquire) but ambient models significantly underperform models trained on clean data. We study this phenomenon at scale by training more than 80 models on data with different corruption levels across three datasets ranging from 30,000 to approx 1.3M samples. We show that it is impossible, at these sample sizes, to match the performance of models trained on clean data when only training on noisy data. Yet, a combination of a small set of clean data (e.g.~10% of the total dataset) and a large set of highly noisy data suffices to reach the performance of models trained solely on similar-size datasets of clean data, and in particular to achieve near state-of-the-art performance. We provide theoretical evidence for our findings by developing novel sample complexity bounds for learning from Gaussian Mixtures with heterogeneous variances. Our theoretical model suggests that, for large enough datasets, the effective marginal utility of a noisy sample is exponentially worse than that of a clean sample. Providing a small set of clean samples can significantly reduce the sample size requirements for noisy data, as we also observe in our experiments.

  • 3 authors
·
Nov 4, 2024

On-Policy Policy Gradient Reinforcement Learning Without On-Policy Sampling

On-policy reinforcement learning (RL) algorithms perform policy updates using i.i.d. trajectories collected by the current policy. However, after observing only a finite number of trajectories, on-policy sampling may produce data that fails to match the expected on-policy data distribution. This sampling error leads to noisy updates and data inefficient on-policy learning. Recent work in the policy evaluation setting has shown that non-i.i.d., off-policy sampling can produce data with lower sampling error than on-policy sampling can produce. Motivated by this observation, we introduce an adaptive, off-policy sampling method to improve the data efficiency of on-policy policy gradient algorithms. Our method, Proximal Robust On-Policy Sampling (PROPS), reduces sampling error by collecting data with a behavior policy that increases the probability of sampling actions that are under-sampled with respect to the current policy. Rather than discarding data from old policies -- as is commonly done in on-policy algorithms -- PROPS uses data collection to adjust the distribution of previously collected data to be approximately on-policy. We empirically evaluate PROPS on both continuous-action MuJoCo benchmark tasks as well as discrete-action tasks and demonstrate that (1) PROPS decreases sampling error throughout training and (2) improves the data efficiency of on-policy policy gradient algorithms. Our work improves the RL community's understanding of a nuance in the on-policy vs off-policy dichotomy: on-policy learning requires on-policy data, not on-policy sampling.

  • 2 authors
·
Nov 14, 2023

Nine Judges, Two Effective Votes: Correlated Errors Undermine LLM Evaluation Panels

LLM-as-a-judge panels aggregate votes from multiple models, with the expectation that diverse models yield more reliable evaluations. We develop a framework to measure the true informational value of such panels and quantify how far their reliability falls short of the independent-voting ideal. Testing a panel of 9 frontier LLMs from 7 model families on three natural language inference datasets (each with 100 human annotations per item), we find that the 9 judges effectively provide only about 2 independent votes' worth of information. Roughly three-quarters of the panel's nominal independence is lost because the models make the same mistakes on the same items. The consequences are stark: the panel's actual accuracy falls 8-22 percentage points short of what independent voting would achieve, and the best single judge matches or outperforms the full panel across all conditions. Neither adding more judges nor using smarter aggregation algorithms helps -- established methods close at most 11% of this gap, even with access to the correct answers. We quantify these findings using the Kish effective sample size (n_eff) and a Condorcet null model, and show the deficit is robust across prompt variants, temperatures, chain-of-thought reasoning, and a pairwise preference task (RewardBench). The bottleneck is correlated judges, not the aggregation algorithm, implying that scaling up panels cannot substitute for genuinely independent evaluation.

  • 1 authors
·
May 27

Optimal Self-Consistency for Efficient Reasoning with Large Language Models

Self-consistency (SC) is a widely used test-time inference technique for improving performance in chain-of-thought reasoning. It involves generating multiple responses, or samples from a large language model (LLM) and selecting the most frequent answer. This procedure can naturally be viewed as a majority vote or empirical mode estimation. Despite its effectiveness, SC is prohibitively expensive at scale when naively applied to datasets, and it lacks a unified theoretical treatment of sample efficiency and scaling behavior. In this paper, we provide the first comprehensive analysis of SC's scaling behavior and its variants, drawing on mode estimation and voting theory. We derive and empirically validate power law scaling for self-consistency across datasets, and analyze the sample efficiency for fixed-allocation and dynamic-allocation sampling schemes. From these insights, we introduce Blend-ASC, a novel variant of self-consistency that dynamically allocates samples to questions during inference, achieving state-of-the-art sample efficiency. Our approach uses 6.8x fewer samples than vanilla SC on average, outperforming both fixed- and dynamic-allocation SC baselines, thereby demonstrating the superiority of our approach in terms of efficiency. In contrast to existing variants, Blend-ASC is hyperparameter-free and can fit an arbitrary sample budget, ensuring it can be easily applied to any self-consistency application.

  • 3 authors
·
Nov 15, 2025

Stochastic Function Certification with Correlations

We study the Stochastic Boolean Function Certification (SBFC) problem, where we are given n Bernoulli random variables {X_e: e in U} on a ground set U of n elements with joint distribution p, a Boolean function f: 2^U to {0, 1}, and an (unknown) scenario S = {e in U: X_e = 1} of active elements sampled from p. We seek to probe the elements one-at-a-time to reveal if they are active until we can certify f(S) = 1, while minimizing the expected number of probes. Unlike most previous results that assume independence, we study correlated distributions p and give approximation algorithms for several classes of functions f. When f(S) is the indicator function for whether S is the spanning set of a given matroid, our problem reduces to finding a basis of active elements of a matroid by probing elements. We give a non-adaptive O(log n)-approximation algorithm for arbitrary distributions p, and show that this is tight up to constants unless P = NP, even for partition matroids. For uniform matroids, we give constant factor 4.642-approximation ([BBFT20]) that can be further improved to a 2-approximation if additionally the random variables are negatively correlated for the case of 1-uniform matroid. We also give an adaptive O(log k)-approximation algorithm for SBFC for k-uniform matroids for the Graph Probing problem, where we seek to probe the edges of a graph one-at-a-time until we find k active edges. The underlying distribution on edges arises from (hidden) independent vertex random variables, with an edge being active if at least one of its endpoints is active. This significantly improves over the information-theoretic lower bound on Ω(poly(n)) ([JGM19]) for adaptive algorithms for k-uniform matroids with arbitrary distributions.

  • 3 authors
·
Apr 2

Adaptive Generalized Elliptical Slice Sampling

A central challenge in gradient-free MCMC is designing algorithms that simultaneously bypass manual tuning, scale efficiently with dimension, and adapt to local target geometry. While adaptive strategies can auto-tune generic frameworks like random walk Metropolis, they offer slow, linear-order scaling of mixing times with dimension. Elliptical slice sampling (ESS) offers a promising alternative: it is tuning-free, adjusts to local geometry, and can achieve nearly dimension-free scaling under favorable conditions. However, its efficiency degrades rapidly if there is a mismatch between the target distribution and the distribution used to generate the ellipse-defining auxiliary variables, precluding its use in high-dimensional settings. We demonstrate that a careful synthesis of ESS and diminishing adaptation directly resolves these bottlenecks. The resulting adaptive generalized elliptical slice sampler (AGESS) self-corrects from a slow-mixing to a fast-mixing regime, while preserving ergodicity across a wide variety of target densities satisfying mild regularity conditions. The algorithm's utility is demonstrated across a broad collection of challenging applications, including generalized regression, deep Gaussian process surrogate modeling, and high-dimensional sparse regression. Together, our theoretical results and the case studies give evidence of the efficiency and robustness of AGESS across target distributions that are non-elliptical, non-differentiable, multi-modal, or high-dimensional.

  • 2 authors
·
Jun 2

Inference Scaling scriptsizeFLaws: The Limits of LLM Resampling with Imperfect Verifiers

Recent research has generated hope that inference scaling could allow weaker language models to match or exceed the accuracy of stronger models, such as by repeatedly sampling solutions to a coding problem until it passes unit tests. The central thesis of this paper is that there is no free lunch for inference scaling: indefinite accuracy improvement through resampling can only be realized if the "verifier" (in this case, a set of unit tests) is perfect. When the verifier is imperfect, as it almost always is in domains such as reasoning or coding (for example, unit tests have imperfect coverage), there is a nonzero probability of false positives: incorrect solutions that pass the verifier. Resampling cannot decrease this probability, so it imposes an upper bound to the accuracy of resampling-based inference scaling even with an infinite compute budget. We find that there is a very strong correlation between the model's single-sample accuracy (i.e. accuracy without unit tests) and its false positive rate on coding benchmarks HumanEval and MBPP, whose unit tests have limited coverage. Therefore, no amount of inference scaling of weaker models can enable them to match the single-sample accuracy of a sufficiently strong model (Fig. 1a). When we consider that false positives have a negative utility compared to abstaining from producing a solution, it bends the inference scaling curve further downward. Empirically, we find that the optimal number of samples can be less than 10 under realistic assumptions (Fig. 1b). Finally, we show that beyond accuracy, false positives may have other undesirable qualities, such as poor adherence to coding style conventions.

  • 3 authors
·
Nov 26, 2024