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CADMorph: Geometry-Driven Parametric CAD Editing via a Plan-Generate-Verify Loop

Neural Information Processing Systems

AComputer-Aided Design (CAD) model encodes an object in two coupled forms: a parametric construction sequence and its resulting visible geometric shape. During iterative design, adjustments to the geometric shape inevitably require synchronized edits to the underlying parametric sequence, called geometry-driven parametric CAD editing. The task calls for 1) preserving the original sequence's structure, 2) ensuring each edit's semantic validity, and 3) maintaining high shape fidelity to the target shape, all under scarce editing data triplets.


Collaborative Geometry-Aware Multi-Solution Optimizer for Efficient Model Fine-Tuning

Neural Information Processing Systems

We propose a framework grounded in gradient flow theory and informed by geometric structure that provides multiple diverse solutions for a given task, ensuring collaborative results that enhance performance and adaptability across different tasks. This framework enables flexibility, allowing for efficient task-specific fine-tuning while preserving the knowledge of the pre-trained foundation models. Extensive experiments across transfer learning, few-shot learning, and domain generalization show that our proposed approach consistently outperforms existing Bayesian methods, delivering strong performance with affordable computational overhead and offering a practical solution by updating only a small subset of parameters. The code for our method is at https://github.com/anh-ntv/GAC-MSO


Feasibility-Aware Decision-Focused Learning for Predicting Parameters in the Constraints

Neural Information Processing Systems

When some parameters of a constrained optimization problem (COP) are uncertain, this gives rise to a predict-then-optimize (PtO) problem, comprising two stages: the prediction of the unknown parameters from contextual information and the subsequent optimization using those predicted parameters. Decision-focused learning (DFL) implements the first stage by training a machine learning (ML) model to optimize the quality of the decisions made using the predicted parameters. When the predicted parameters occur in the constraints, they can lead to infeasible solutions. Therefore, it is important to simultaneously manage both feasibility and decision quality. We develop a DFL framework for predicting constraint parameters in a generic COP.


Mechanistic Interpretability of RNNs emulating Hidden Markov Models

Neural Information Processing Systems

Recurrent neural networks (RNNs) provide a powerful approach in neuroscience to infer latent dynamics in neural populations and to generate hypotheses about the neural computations underlying behavior. However, past work has focused on relatively simple, input-driven, and largely deterministic behaviors - little is known about the mechanisms that would allow RNNs to generate the richer, spontaneous, and potentially stochastic behaviors observed in natural settings. Modeling with Hidden Markov Models (HMMs) has revealed a segmentation of natural behaviors into discrete latent states with stochastic transitions between them, a type of dynamics that may appear at odds with the continuous state spaces implemented by RNNs. Here we first show that RNNs can replicate HMM emission statistics and then reverse-engineer the trained networks to uncover the mechanisms they implement. In the absence of inputs, the activity of trained RNNs collapses towards a single fixed point.


Sparse Image Synthesis via Joint Latent and RoIFlow

Neural Information Processing Systems

However, most generative models rely on dense grid-based pixels or latents, neglecting this inherent sparsity. In this paper, we explore modeling visual generation paradigm via sparse non-grid latent representations. Specifically, we design a sparse autoencoder that represents an image as a small number of latents with their positional properties (i.e., regions of interest, RoIs) with high reconstruction quality. We then explore training flow-matching transformers jointly on non-grid latents and RoI values. To the best knowledge, we are the first to address spatial sparsity using RoIs in generative process. Experimental results show that our sparse flow-based transformers have competitive performance compared with dense grid-based counterparts with significantly reduced lower compute, and reaches a competitive 2.76 FID with just 64 latents on class-conditional ImageNet 256 256 generation.


PRESCRIBE: Predicting Single-Cell Responses with Bayesian Estimation

Neural Information Processing Systems

In single-cell perturbation prediction, a central task is to forecast the effects of perturbing a gene unseen in the training data. The efficacy of such predictions depends on two factors: (1) the similarity of the target gene to those covered in the training data, which informs model (epistemic) uncertainty, and (2) the quality of the corresponding training data, which reflects data (aleatoric) uncertainty. Both factors are critical for determining the reliability of a prediction, particularly as gene perturbation is an inherently stochastic biochemical process. In this paper, we propose PRESCRIBE (PREdicting Single-Cell Response wIth Bayesian Estimation), a multivariate deep evidential regression framework designed to measure both sources of uncertainty jointly. Our analysis demonstrates that PRESCRIBE effectively estimates a confidence score for each prediction, which strongly correlates with its empirical accuracy. This capability enables the filtering of untrustworthy results, and in our experiments, it achieves steady accuracy improvements of over 3% compared to comparable baselines.


Why Diffusion Models Don't Memorize: The Role of Implicit Dynamical Regularization in Training

Neural Information Processing Systems

Diffusion models have achieved remarkable success across a wide range of generative tasks. A key challenge is understanding the mechanisms that prevent their memorization of training data and allow generalization. In this work, we investigate the role of the training dynamics in the transition from generalization to memorization. Through extensive experiments and theoretical analysis, we identify two distinct timescales: an early time τgen at which models begin to generate high-quality samples, and a later time τmem beyond which memorization emerges. Crucially, we find that τmem increases linearly with the training set size n, while τgen remains constant. This creates a growing window of training times with n where models generalize effectively, despite showing strong memorization if training continues beyond it. It is only when nbecomes larger than a model-dependent threshold that overfitting disappears at infinite training times. These findings reveal a form of implicit dynamical regularization in the training dynamics, which allow to avoid memorization even in highly overparameterized settings. Our results are supported by numerical experiments with standard U-Net architectures on realistic and synthetic datasets, and by a theoretical analysis using a tractable random features model studied in the high-dimensional limit.


Two-Steps Diffusion Policy for Robotic Manipulation via Genetic Denoising

Neural Information Processing Systems

Diffusion models, such as diffusion policy, have achieved state-of-the-art results in robotic manipulation by imitating expert demonstrations. While diffusion models were originally developed for vision tasks like image and video generation, many of their inference strategies have been directly transferred to control domains without adaptation. In this work, we show that by tailoring the denoising process to the specific characteristics of embodied AI tasks--particularly the structured, low-dimensional nature of action distributions--diffusion policies can operate effectively with as few as 5 neural function evaluations (NFE). Building on this insight, we propose a population-based sampling strategy, genetic denoising, which enhances both performance and stability by selecting denoising trajectories with low out-of-distribution risk. Our method solves challenging tasks with only 2 NFE while improving or matching performance. We evaluate our approach across 14 robotic manipulation tasks from D4RL and Robomimic, spanning multiple action horizons and inference budgets. In over 2 million evaluations, our method consistently outperforms standard diffusion-based policies, achieving up to 20% performance gains with significantly fewer inference steps.


Memory-Efficient Training with In-Place FFT Implementation

Neural Information Processing Systems

Fast Fourier Transforms (FFT) are widely used to reduce memory and computational costs in deep learning. However, existing implementations, including standard FFT and real FFT (rFFT), cannot achieve true in-place computation.


update(ϕLˆdown)Ψϕssoftmaxw z Lupθ fθ(z) θLup

Neural Information Processing Systems

We introduce Filter Like You Test (FLYT), an algorithm for curating large-scale vision-language datasets that learns the usefulness of each data point as a pretraining example. FLYT trains a scoring model that learns to weigh each example's features using gradient signals from downstream tasks training sets. Based on FLYT, we implement Mixing-FLYT (M-FLYT), which takes the per-example scores generated by different scoring methods as features, and learns to unify them into a single score. FLYT naturally produces a distribution over the training examples, which we leverage through Soft Cap Sampling (SCS), a strategy for obtaining a filtered pretraining dataset from per-example probabilities that samples examples while preventing over-representation through a repetition penalty. Using these methods, we achieve 40.1% ImageNet zero-shot accuracy on the DataComp medium scale filtering benchmark, a 2% absolute accuracy increase over all previous results and a 5.5% increase over results that--like us--use only public resources. Our approach also yields 37.7% on the average of 38 DataComp evaluation tasks, outperforming previous public-resource approaches by 0.4%.