Generative models have emerged as scalable surrogates for physical simulation, yet they offer no guarantee that their outputs respect the conservation laws, boundary conditions, and nonlinear invariants that govern the underlying physics. Constrained sampling closes this gap, enforcing such constraints exactly at inference time without retraining, but at a computational cost: projection, correction and trajectory-optimization steps are repeated during sampling, with these steps becoming expensive for nonlinear constraints. Standard ML frameworks exacerbate this: their dense tensor algebra and limited sparse solver composability obscure the structure that physical constraints naturally induce, making efficient batched nonlinear optimization difficult to realize in practice. We address this bottleneck by exploiting the structure that sample-wise batching and local PDE couplings induce in the projection subproblems -- namely, block-sparse Jacobian and KKT systems -- exposing this structure using ExaModels.jl and solving the resulting sparse nonlinear programs with MadNLP.jl and GPU sparse factorization. Applied to Physics-Constrained Flow Matching (PCFM), on PDE benchmarks with linear, nonlinear, one-dimensional, and two-dimensional constraints, this approach accelerates nonlinear constraint projection while maintaining constraint satisfaction. These results show that sparse GPU nonlinear optimization is a practical foundation for constrained generative sampling in scientific machine learning.
Alaina Kolli, Theodoros Xenakis, Utkarsh Utkarsh et al.· 0 citations
Adaptive experiments for average treatment effects (ATE) require randomized allocations balancing valid inference with statistical efficiency. The oracle design is a covariate-dependent Neyman rule governed by unknown arm-conditional outcome variances. We investigate whether this sequential variance-estimation and allocation process can be amortized via in-context learning. We introduce Bayesian in-context experimenters: transformer policies trained to imitate a Bayesian posterior Neyman teacher. The teacher updates nonparametric beliefs over potential outcomes using experimental history to assign posterior Neyman treatment probabilities. This design converges to the oracle rule, supporting efficient ATE inference. Transformers constructively implement this mapping through attention-based sufficient statistics and projected gradient descent, imitating Bayesian updating for Gaussian-series priors. To address unknown outcome smoothness, we combine smoothness-indexed experimenters using a mixture-of-experts transformer. The gate acts as a hierarchical posterior over smoothness classes, concentrating on near-oracle experts. By bounding the complexity of the transformer class, we prove this amortized policy can be learned via empirical risk minimization using supervised pretraining. Experiments confirm accurate teacher imitation, adaptive allocation, and improved ATE precision over baselines.
RL post-training strategies are dataset-dependent and reveal a recurring empirical pattern: capacity parameters accumulate monotonically across stages, while regularization parameters predominantly oscillate in response to shifting training dynamics. This distinction highlights a potential flaw in fixed training schedules: by forcing all parameters along rigid paths, they fail to capture the dynamic exploration-exploitation tradeoffs that regularization must track. We uncover this through LLMZero, an agentic system that optimizes training trajectories via tree search by diagnosing pathologies at each checkpoint and proposing coordinated multi-parameter transitions. Across four diverse GRPO tasks, LLMZero discovers strategies that improve over the base model by 9% to 140% and over grid search by 6% to 15% (relative), consistently outperforming random search and a skill-based agent under a matched compute budget. The capacity--regularization asymmetry is consistent across all four tasks, offering a candidate design heuristic for multi-stage training.
Haoyang Fang, Wei Zhu, Boran Han et al.· 0 citations
Pre-training data mixtures are commonly tuned by running small-scale experiments and extrapolating to the target training budget. When high-quality data is scarce and must be repeated, this extrapolation frequently fails, but the source of the failure has not been isolated. We show that a primary culprit is a repetition mismatch: because high-quality datasets are small, their repetition rate changes as the training budget grows, shifting the optimal mixture in ways that small-scale proxy experiments do not anticipate. A subsampling procedure that matches the target repetition rate controls for this effect. In a two-source setting combining limited high-quality data with web crawl, a single repetition-controlled experiment using only 1/16 of the target tokens recovers a mixture within 0.10 of the optimum on Wiki-Text for a 1.17B parameter model, compared to an error of 0.85 without repetition control. Achieving comparable accuracy without repetition control requires multiple training horizons, consuming 19%, 44%, and 94% of the target token budget when using the results from two, three, and four horizons respectively. With three data sources, the larger mixture space requires more than a single experiment to constrain, but the approach remains effective: at the 757M scale, just two repetition-controlled horizons recover the optimal mixture, outperforming baselines that instead require the full two-source experiments to construct. Our results reveal that repetition dynamics, not scale alone, shape whether small-scale mixture experiments generalize. More broadly, they suggest that data repetition deserves treatment as a first-class variable in mixture optimization, rather than an inconvenient side effect of limited data.
Kevin Zhou, Lisa Alazraki, Kris Cao et al.· 0 citations
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Vision-language models such as CLIP are highly useful for diverse tasks due to their shared image-text embedding space. Despite this, the image and text embeddings are often poorly aligned, affecting downstream performance. Recent work has hypothesized that this can be attributed to an information imbalance: images contain more information than their captions describe. In this work, we propose TEVI, a framework that uses captions as a signal for what to retain from image embeddings. Specifically, we use sparse autoencoders to disentangle image embeddings and train a masking module to selectively reconstruct the embedding based on a given caption. In a controlled setup with synthetic captions, we show that TEVI is effective at preserving caption-described attributes while discarding others. We find that this extends to CLIP models trained on natural images, where TEVI learns to mask meaningfully and allows retrieval based on conditioning. Finally, we use TEVI to achieve improved retrieval performance across coarse-grained and fine-grained benchmarks. Code available at https://github.com/neuroexplicit-saar/TEVI.
Sweta Mahajan, Sukrut Rao, Jiahao Xie et al.· 0 citations
Post-training quantization (PTQ) is essential for deploying LLMs under memory and bandwidth constraints. However, extreme low-bit quantization remains highly sensitive to activation outliers and anisotropic weight curvature. Existing incoherence-based PTQ methods mitigate this issue with fixed randomized Hadamard transforms (RHTs), which improve quantization robustness but cannot adapt the rotated basis to the layer, calibration distribution, or quantizer. We introduce HARP (Hadamard-preconditioned Adaptive Rotation Processor), a learnable structured two-sided orthogonal processor that replaces fixed Hadamard mixing while preserving exact full-precision equivalence. HARP represents each rotation as a product of sparse butterfly-like block-orthogonal stages, supports non-power-of-two dimensions through Mixed-Radix schedules, and initializes to the RHT processor up to a fixed permutation. Fitted only on calibration data, HARP adapts the quantization basis to each layer and backend. Across 2--4-bit settings on Llama models from 1B to 70B, HARP consistently improves perplexity and yields its clearest zero-shot gains at 2 bits; a 2-bit Qwen3-8B experiment shows the same transfer beyond the Llama family. HARP also preserves deployment efficiency: on Llama 2 7B at 2 bits, it reaches 128 tok/s, retaining 90% of RHT throughput (142 tok/s) and running approximately $2.1\times$ faster than FP16 (61 tok/s).
Artur Zagitov, Gleb Molodtsov, Aleksandr Beznosikov· 0 citations
Federated Learning (FL) enables multiple parties to collaboratively train machine learning models without sharing raw data. However, before training, data must be preprocessed to address missing values, inconsistent formats, and heterogeneous feature scales. This preprocessing stage is critical for model performance but is largely overlooked in FL research. In practical FL systems, privacy constraints prohibit centralizing raw data, while communication efficiency introduces further challenges for distributed preprocessing. We introduce FedPS, a framework for federated data preprocessing based on aggregated statistics. FedPS leverages data-sketching techniques to efficiently summarize local datasets while preserving essential statistical information. Building on these summaries, we design federated algorithms for feature scaling, encoding, discretization, and missing-value imputation, and extend preprocessing-related models such as Bayesian Linear Regression to both horizontal and vertical FL settings. FedPS provides flexible, communication-efficient, and consistent preprocessing pipelines for practical FL deployments.
Reinforcement Learning with Verifiable Rewards (RLVR) is commonly based on group sampling to estimate advantages and stabilize policy updates. In practice, computational limits often rule out very large groups, so training proceeds with finite rollout sets that can reinforce only the correct behavior they expose. At practical group sizes, updates can miss rare-correct trajectories while still containing mixed rewards, concentrating probability on more common sampled solutions. We derive the probability of such prompt-local tail-miss events as a function of group size, showing non-monotonic behavior, and in the categorical abstraction characterize how unsampled-correct mass can shrink even as total correct mass grows. Motivated by this analysis, we propose a difficulty-aware scaling coefficient, inspired by Focal loss, that down-weights updates on high-success sampled groups. Empirically, categorical simulation illustrates the same effect in the categorical setting, Maze provides a single-solution test, and LLM experiments include a representative GRPO group-size sweep together with fixed-$N$ transfer across GRPO, DAPO, and CISPO. On Qwen2.5-7B at $N{=}8$, our method improves average math pass@256 from 64.1 $\rightarrow$ 70.3 (GRPO), 69.3 $\rightarrow$ 72.5 (DAPO), and 73.2 $\rightarrow$ 76.8 (CISPO); OOD pass@256 also improves in all three cases, without increasing group size or computational cost.
Daniil Plyusov, Alexey Gorbatovski, Boris Shaposhnikov et al.· 0 citations
Predictive confidence serves as a foundational control signal in mission-critical systems, directly governing risk-aware logic such as escalation, abstention, and conservative fallback. While prior federated learning attacks predominantly target accuracy or implant backdoors, we identify confidence calibration as a distinct attack objective. We present the Temperature Scaling Attack (TSA), a training-time attack that degrades calibration while preserving accuracy. By injecting temperature scaling with learning rate-temperature coupling during local training, TSA shifts model confidence while keeping predictive accuracy and common optimization signals close to benign training. We provide a convergence analysis under non-IID settings, showing that the coupling controls the primary update scale while leaving a bounded temperature-induced residual, yielding the standard non-convex FL convergence structure with an additional residual term. Across three benchmarks, TSA substantially shifts calibration (e.g., 145% error increase on CIFAR-100) with <2% accuracy change, and remains effective under robust aggregation and post-hoc calibration defenses. Case studies further show up to a 7.2x increase in missed verifications in healthcare and severe confidence-gating failures in autonomous driving, even when accuracy is unchanged. Overall, our results establish calibration integrity as a critical attack surface in federated learning.
Kichang Lee, Jaeho Jin, JaeYeon Park et al.· 0 citations
Recent advances in world models have shown promise for modeling future dynamics of environmental states, enabling agents to reason and act without accessing real environments. Current methods mainly perform single-step or fixed-horizon rollouts, leaving their potential for complex task planning under-exploited. We propose Imagine-then-Plan (\texttt{ITP}), a unified framework for agent learning via lookahead imagination, where an agent's policy model interacts with the learned world model, yielding multi-step ``imagined'' trajectories. Since the imagination horizon may vary by tasks and stages, we introduce a novel adaptive lookahead mechanism by trading off the ultimate goal and task progress. The resulting imagined trajectories provide rich signals about future consequences, such as achieved progress and potential conflicts, which are fused with current observations, formulating a partially \textit{observable} and \textit{imaginable} Markov decision process to guide policy learning. We instantiate \texttt{ITP} with both training-free and reinforcement-trained variants. Extensive experiments across representative agent benchmarks demonstrate that \texttt{ITP} significantly outperforms competitive baselines. Further analyses validate that our adaptive lookahead largely enhances agents' reasoning capability, providing valuable insights into addressing broader, complex tasks. Our code and data will be publicly available at https://github.com/loyiv/ITP.
Youwei Liu, Jian Wang, Hanlin Wang et al.· 0 citations
Multivariate time series imputation is fundamental in applications such as healthcare, traffic forecasting, and biological modeling, where sensor failures and irregular sampling lead to pervasive missing values. Existing Transformer- and diffusion-based imputers achieve strong performance, but they often rely mainly on time-domain modeling and lack adaptive spectral bias for recovering structured temporal gaps. We propose FADTI, a Fourier- and attention-driven diffusion framework for multivariate time series imputation. FADTI introduces a Fourier Bias Projection (FBP) module that injects learnable frequency-aware bias into intermediate hidden states during denoising. It projects intermediate hidden states onto Fourier bases, avoiding direct spectral estimation from masked or zero-filled inputs. With DFT, STFT, and FSST instantiations, FBP captures global periodicity, localized time--frequency variations, and non-stationary oscillatory patterns. By coupling FBP with self-attention and gated convolution, FADTI integrates frequency-domain guidance, temporal dependency modeling, and probabilistic denoising in a unified framework. Experiments on multiple benchmarks, including a new biological imputation benchmark, show that FADTI improves accuracy, uncertainty estimation, and sampling efficiency, especially under high missing rates and structured missing patterns. Code is available at https://github.com/RazeenLI/FADTI
Runze Li, Hanchen Wang, Wenjie Zhang et al.· 0 citations
The advent of the big data paradigm has transformed how industries manage and analyze information, ushering in an era of unprecedented data volume, velocity, and variety. Within this landscape, mixed-data clustering has become a critical challenge, requiring innovative methods that can effectively exploit heterogeneous data types, including numerical and categorical variables. Traditional clustering techniques, typically designed for homogeneous datasets, often struggle to capture the additional complexity introduced by mixed data, underscoring the need for approaches specifically tailored to this setting. Hierarchical and explainable algorithms are particularly valuable in this context, as they provide structured, interpretable clustering results that support informed decision-making. This paper introduces a clustering method grounded in pretopological spaces. In addition, benchmarking against classical numerical clustering algorithms and existing pretopological approaches yields insights into the performance and effectiveness of the proposed method within the big data paradigm.
Maxence Choufa, Clement Cornet, Guillaume Guerard et al.· 0 citations
A new machine-learning framework aims to improve the success rate of computational protein design while moving away from results that reproduce sequences found in nature.
MIT News · Artificial Intelligence· news.mit.eduAug 24, 2026
A new method for surgically removing training examples from a model reveals that as datasets grow, the link between what a model learns and what it produces dissolves.
