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FibQuant: Universal Vector Quantization for Random-Access KV-Cache Compression

arXiv.org Machine Learning

Long-context inference is increasingly a memory-traffic problem. The culprit is the key--value (KV) cache: it grows with context length, batch size, layers, and heads, and it is read at every decoding step. Rotation-based scalar codecs meet this systems constraint by storing a norm, applying a shared random rotation, and quantizing one coordinate at a time. They are universal and random-access, but they discard the geometry created by the normalization step. After a Haar rotation, a block of $k$ consecutive coordinates is not a product source; it is a spherical-Beta source on the unit ball. We introduce \textsc{FibQuant}, a universal fixed-rate vector quantizer that keeps the same normalize--rotate--store interface while replacing scalar tables by a shared radial--angular codebook matched to this canonical source. The codebook combines Beta-quantile radii, Fibonacci\,/\,Roberts--Kronecker quasi-uniform directions, and multi-restart Lloyd--Max refinement. We prove that the resulting vector code strictly improves on its scalar product specialization at matched rate, with a high-rate gain that separates into a cell-shaping factor and a density-matching factor. The same construction gives a dense rate axis, including fractional-bit and sub-one-bit operating points, without calibration or variable-length addresses. On GPT-2 small KV caches, \textsc{FibQuant} traces a memory--fidelity frontier from $5\times$ compression at $0.99$ attention cosine similarity to $34\times$ at $0.95$. End-to-end on TinyLlama-1.1B, it is within $0.10$ perplexity of fp16 at $4\times$ compression and has $3.6\times$ lower perplexity than scalar \textsc{TurboQuant} at $b = 2$ ($8\times$ compression), where scalar random-access quantization begins to fail.


A Semi-Supervised Kernel Two-Sample Test

arXiv.org Machine Learning

We consider the problem of two-sample testing in a semi-supervised setting with abundant unlabeled covariate data. Standard two-sample tests neglect covariate information, which has the potential to significantly boost performance. However, incorporating covariates potentially breaks the exchangeability assumption under the null, which further complicates a calibration procedure. To address these issues, we propose a semi-supervised method that produces a test statistic with asymptotic normality, while effectively integrating additional information from covariates. Our test is straightforward to calibrate due to the asymptotic normality under the null and achieves asymptotic power that is often much higher than existing kernel tests without covariates. Furthermore, we formally show that the proposed method is consistent in power against fixed and local alternatives. Simulations confirm the practical and theoretical strengths of our approach.


Transfer Learning on Heterogeneous Feature Spaces for Treatment Effects Estimation

Neural Information Processing Systems

Consider the problem of improving the estimation of conditional average treatment effects (CATE) for a target domain of interest by leveraging related information from a source domain with a different feature space. This heterogeneous transfer learning problem for CATE estimation is ubiquitous in areas such as healthcare where we may wish to evaluate the effectiveness of a treatment for a new patient population for which different clinical covariates and limited data are available. In this paper, we address this problem by introducing several building blocks that use representation learning to handle the heterogeneous feature spaces and a flexible multi-task architecture with shared and private layers to transfer information between potential outcome functions across domains. Then, we show how these building blocks can be used to recover transfer learning equivalents of the standard CATE learners. On a new semi-synthetic data simulation benchmark for heterogeneous transfer learning we not only demonstrate performance improvements of our heterogeneous transfer causal effect learners across datasets, but also provide insights into the differences between these learners from a transfer perspective.




Facing Off World Model Backbones: RNNs, Transformers, and S4

Neural Information Processing Systems

World models are a fundamental component in model-based reinforcement learning (MBRL). To perform temporally extended and consistent simulations of the future in partially observable environments, world models need to possess long-term memory. However, state-of-the-art MBRL agents, such as Dreamer, predominantly employ recurrent neural networks (RNNs) as their world model backbone, which have limited memory capacity. In this paper, we seek to explore alternative world model backbones for improving long-term memory. In particular, we investigate the effectiveness of Transformers and Structured State Space Sequence (S4) models, motivated by their remarkable ability to capture long-range dependencies in low-dimensional sequences and their complementary strengths.


Shape Non-rigid Kinematics (SNK): AZero-Shot Method for Non-Rigid Shape Matching via Unsupervised Functional Map Regularized Reconstruction

Neural Information Processing Systems

We present Shape Non-rigid Kinematics (SNK), a novel zero-shot method for non-rigid shape matching that eliminates the need for extensive training or ground truth data. SNK operates on a single pair of shapes, and employs a reconstructionbased strategy using an encoder-decoder architecture, which deforms the source shape to closely match the target shape. During the process, an unsupervised functional map is predicted and converted into a point-to-point map, serving as a supervisory mechanism for the reconstruction. To aid in training, we have designed a new decoder architecture that generates smooth, realistic deformations. SNK demonstrates competitive results on traditional benchmarks, simplifying the shapematching process without compromising accuracy. Our code can be found online: https://github.com/pvnieo/SNK.


Inverting Foundation Models of Brain Function with Simulation-Based Inference

arXiv.org Machine Learning

Foundation models of brain activity promise a new frontier for in silico neuroscience by emulating neural responses to complex stimuli across tasks and modalities. A natural next step is to ask whether these models can also be used in reverse. Can we recover a stimulus or its properties from synthetic brain activity? We study this question in a proof-of-concept setting using TRIBEv2. We pair the brain emulator with large language models (LLMs) that generate news headlines from linguistic parameters such as valence, arousal, and dominance. We then use simulation-based inference to learn a probabilistic mapping from brain maps to latent stimulus parameters. Our results show that these parameters can be recovered from predicted brain maps, validating the quality of neural encodings. They also show that LLMs can serve as controllable stimulus generators for simulated experiments. Together, these findings provide a step toward decoding and inverse design with foundation brain models.


Bayesian Metric Learning for Uncertainty Quantification in Image Retrieval

Neural Information Processing Systems

We propose a Bayesian encoder for metric learning. Rather than relying on neural amortization as done in prior works, we learn a distribution over the network weights with the Laplace Approximation. We first prove that the contrastive loss is a negative log-likelihood on the spherical space. We propose three methods that ensure a positive definite covariance matrix. Lastly, we present a novel decomposition of the Generalized Gauss-Newton approximation. Empirically, we show that our Laplacian Metric Learner (LAM) yields well-calibrated uncertainties, reliably detects out-of-distribution examples, and has state-of-the-art predictive performance.


3D molecule generation by denoising voxel grids

Neural Information Processing Systems

We propose a new score-based approach to generate 3D molecules represented as atomic densities on regular grids. First, we train a denoising neural network that learns to map from a smooth distribution of noisy molecules to the distribution of real molecules. Then, we follow the neural empirical Bayes framework [1] and generate molecules in two steps: (i) sample noisy density grids from a smooth distribution via underdamped Langevin Markov chain Monte Carlo, and (ii) recover the "clean" molecule by denoising the noisy grid with a single step. Our method, VoxMol, generates molecules in a fundamentally different way than the current state of the art (i.e., diffusion models applied to atom point clouds). It differs in terms of the data representation, the noise model, the network architecture and the generative modeling algorithm. Our experiments show that VoxMol captures the distribution of drug-like molecules better than state of the art, while being faster to generate samples.