computation
Does time come from the entire universe running computations?
Does time come from the entire universe running computations? Explaining the passage of time has been a gnarly problem in physics basically forever, but physicist and computer scientist Stephen Wolfram has a radical proposal for where it comes from. What if the universe is just one big computer? My colleagues and I have a running joke: time isn't real. Oh, you thought that deadline was tomorrow, but it's actually today?
spca: An R package to Compute Least Squares Sparse Principal Components
This paper introduces the R package spca, which provides a computational framework for least squares sparse principal component analysis (LS-SPCA). Unlike other SPCA methods, LS-SPCA generates uncorrelated sparse principal components (sPCs) that effectively maximize the explained variance while maintaining strong correlations with standard principal components (PCs). The framework also includes more computationally efficient variants that produce mildly correlated sPCs, which often have lower cardinality while explaining equal or greater variance than the LS-SPCA optimal sPCs. The spca package is built on an efficient C++ backend for matrix computations, with distinct engines for tall and fat matrices, and a flexible R frontend. The user interface offers several options for computing sPCs, such as deciding whether sparsification should stop when a threshold for cumulative variance explained or R2 with the PCs is reached, and choosing between simple forward selection, stepwise forward selection, or backward elimination for variable selection. In addition to the print(), summary(), and plot() methods, the package includes tools for comparing different "spca" solutions, grouping sparse loadings, and representing foreign SPCA solutions as "spca" objects. This article demonstrates with real datasets the use of the package in a typical LS-SPCA workflow and briefly contrasts LS-SPCA with conventional SPCA solutions . Then it compares different LS-SPCA solutions obtained from the dataset. Finally, the performance of spca on large tall and fat matrices is discussed, showing that spca offers a computationally efficient alternative for computing interpretable sPCs.
Highly Data Parallelizable Estimation of the Sliced-Wasserstein Distance Using Cumulative Distribution Functions
Vauthier, Christophe, Mรฉrigot, Quentin, Korba, Anna
The Sliced Wasserstein (SW) distance has emerged as a computationally attractive alternative to the Wasserstein distance by leveraging one-dimensional optimal transport along random projections. Standard estimators of the SW distance rely on Monte Carlo averages of one-dimensional Wasserstein distances computed via quantile functions, which require sorting projected samples and access to full datasets. In this work, we introduce a new class of estimators for the Sliced Wasserstein distance based on cumulative distribution functions (CDFs) of projected measures, that avoid sorting and scale via massive dataset parallelism. This class includes several estimators, some of them being indexed by hyperparameters controlling their variance or smoothness. We show that they are especially well suited to scenarios in which CDFs are more tractable than quantile functions, such as mixtures of Gaussians, and moreover that they are also naturally compatible with federated learning, since CDFs of projected data can be computed and aggregated locally without requiring the exchange of raw samples.
Bag of Tricks for Inference-time Computation of LLM Reasoning
With the advancement of large language models (LLMs), solving complex reasoning tasks has gained increasing attention. Inference-time computation methods (e.g., Best-of-N, beam search) are particularly valuable as they can enhance reasoning performance without modifying model parameters or requiring additional training. However, these techniques come with implementation challenges, and most existing methods remain at the proof-of-concept stage with limited practical adoption due to their computational complexity and varying effectiveness across different tasks. In this paper, we investigate and benchmark diverse inference-time computation strategies across reasoning tasks of varying complexity. Since most current methods rely on a proposer-verifier pipeline that first generates candidate solutions (e.g., reasoning solutions) and then selects the best one based on reward signals (e.g., RLHF rewards, process rewards), our research focuses on optimizing both candidate solution generation (e.g., instructing prompts, hyperparameters such as temperature and top-p) and reward mechanisms (e.g., self-evaluation, reward types). Through extensive experiments (more than 20,000 A100-80GGPU hours with over 1,000 experiments) across a variety of models (e.g., Llama, Qwen, and Mistral families) of various sizes, our ablation studies reveal that previously overlooked strategies can significantly enhance performance (e.g., tuning temperature can improve reasoning task performance by up to 5%). Furthermore, we establish a standardized benchmark for inference-time computation by systematically evaluating six representative methods across eight reasoning tasks. These findings provide a stronger foundation for future research.
Vertical Federated Feature Screening
With the rapid development of the big data era, Vertical Federated Learning (VFL) has been widely applied to enable data collaboration while ensuring privacy protection. However, the ultrahigh dimensionality of features and the sparse data structures inherent in large-scale datasets introduce significant computational complexity. In this paper, we propose the Vertical Federated Feature Screening (VFS) algorithm, which effectively reduces computational, communication, and encryption costs. VFS is a two-stage feature screening procedure that proceeds from coarse to fine: the first stage quickly filters out irrelevant feature groups, followed by a more refined screening of individual features. It significantly reduces the resource demands of downstream tasks such as secure joint modeling or federated feature selection. This efficiency is particularly beneficial in scenarios with ultrahigh feature dimensionality or severe class imbalance in the response variable. The statistical and computational properties of VFS are rigorously established. Numerical simulations and real-world applications demonstrate its superior performance.
Practical do-Shapley Explanations with Estimand-Agnostic Causal Inference
Among explainability techniques, SHAP stands out as one of the most popular, but often overlooks the causal structure of the problem. In response, do-SHAP employs interventional queries, but its reliance on estimands hinders its practical application. To address this problem, we propose the use of estimand-agnostic approaches, which allow for the estimation of any identifiable query from a single model, making do-SHAP feasible on complex graphs. We also develop a novel algorithm to significantly accelerate its computation at a negligible cost, as well as a method to explain inaccessible Data Generating Processes. We demonstrate the estimation and computational performance of our approach, and validate it on two real-world datasets, highlighting its potential in obtaining reliable explanations.
Communication-Efficient Diffusion Denoising Parallelization via Reuse-then-Predict Mechanism
Diffusion models have emerged as a powerful class of generative models across various modalities, including image, video, and audio synthesis. However, their deployment is often limited by significant inference latency, primarily due to the inherently sequential nature of the denoising process. While existing parallelization strategies attempt to accelerate inference by distributing computation across multiple devices, they typically incur high communication overhead, hindering deployment on commercial hardware. To address this challenge, we propose ParaStep, a novel parallelization method based on a reuse-then-predict mechanism that parallelizes diffusion inference by exploiting similarity between adjacent denoising steps. Unlike prior approaches that rely on layer-wise or stage-wise communication, ParaStep employs lightweight, step-wise communication, substantially reducing overhead. ParaStep achieves end-to-end speedups of up to 3.88 on SVD, 2.43 on CogVideoX-2b, and 6.56 on AudioLDM2-large, while maintaining generation quality.
Beyond Components: Singular Vector-Based Interpretability of Transformer Circuits
Transformer-based language models exhibit complex and distributed behavior, yet their internal computations remain poorly understood. Existing mechanistic interpretability methods typically treat attention heads and multilayer perceptron layers (MLPs) (the building blocks of a transformer architecture) as indivisible units, overlooking possibilities of functional substructure learned within them. In this work, we introduce a more fine-grained perspective that decomposes these components into orthogonal singular directions, revealing superposed and independent computations within a single head or MLP. We validate our perspective on widely used standard tasks like Indirect Object Identification (IOI), Gender Pronoun (GP), and Greater Than (GT), showing that previously identified canonical functional heads, such as the "name mover," encode multiple overlapping subfunctions aligned with distinct singular directions. Nodes in a computational graph, that are previously identified as circuit elements show strong activation along specific low-rank directions, suggesting that meaningful computations reside in compact subspaces. While some directions remain challenging to interpret fully, our results highlight that transformer computations are more distributed, structured, and compositional than previously assumed. This perspective opens new avenues for fine-grained mechanistic interpretability and a deeper understanding of model internals.
Improving the Straight-Through Estimator with Zeroth-Order Information
We study the problem of training neural networks with quantized parameters. Learning low-precision quantized parameters by enabling computation of gradients via the Straight-Through Estimator (STE) can be challenging. While the STE enables back-propagation, which is a first-order method, recent works have explored the use of zeroth-order (ZO) gradient descent for fine-tuning. We note that the STE provides high-quality biased gradients, and ZO gradients are unbiased but can be expensive. We thus propose First-Order-Guided Zeroth-Order Gradient Descent (FOGZO) that reduces STE bias while reducing computations relative to ZO methods. Empirically, we show FOGZO improves the tradeoff between quality and training time in Quantization-Aware Pre-Training. Specifically, versus STE at the same number of iterations, we show a 1-8% accuracy improvement for DeiTTiny/Small, 1-2% accuracy improvement on ResNet 18/50, and 1-22 perplexity point improvement for LLaMA models with up to 0.3 billion parameters. For the same loss, FOGZO yields a 796 reduction in computation versus n-SPSA for a 2-layer MLP on MNIST.
VLA-Cache: Efficient Vision-Language-Action Manipulation via Adaptive Token Caching
Vision-Language-Action (VLA) models have demonstrated strong multi-modal reasoning capabilities, enabling direct action generation from visual perception and language instructions in an end-to-end manner. However, their substantial computational cost poses a challenge for real-time robotic control, where rapid decision-making is essential. This paper introduces VLA-Cache, a training-free inference acceleration method that reduces computational overhead by adaptively caching and reusing static visual tokens across frames. Exploiting the temporal continuity in robotic manipulation, VLA-Cache identifies minimally changed tokens between adjacent frames and reuses their cached key-value representations, thereby circumventing redundant computations. Additionally, to maintain action precision, VLA-Cache selectively re-computes task-relevant tokens that are environmentally sensitive, ensuring the fidelity of critical visual information. To further optimize efficiency, we introduce a layer adaptive token reusing strategy that dynamically adjusts the reuse ratio based on attention concentration across decoder layers, prioritizing critical tokens for recomputation. Extensive experiments on two simulation platforms (LIBERO and SIMPLER) and a real-world robotic system demonstrate that VLA-Cache achieves up to 1.7 speedup in CUDA latency and a 15% increase in control frequency, with negligible loss on task success rate. The code and videos can be found at our project page: https://vla-cache.github.io.