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Yulun Wu

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9 papers

2 author rows

NeurIPS Conference 2025 Conference Paper

AI Progress Should Be Measured by Capability-Per-Resource, Not Scale Alone: A Framework for Gradient-Guided Resource Allocation in LLMs

David McCoy
Yulun Wu
Zachary Butzin-Dozier

This position paper challenges the "scaling fundamentalism" dominating AI research, where unbounded growth in model size and computation has led to unsustainable environmental impacts and widening resource inequality. We argue that LLM development should be fundamentally reoriented toward capability-per-resource rather than capability alone. We present a theoretical framework demonstrating that resource-allocation decisions guided by gradient influence patterns can dramatically improve efficiency throughout the AI lifecycle. Our analysis shows that in transformer-based models, where a small fraction of parameters exert outsized influence (following heavy-tailed distributions), three critical insights emerge: (1) updating only high-influence parameters strictly outperforms full-parameter tuning on a performance-per-resource basis; (2) simple gradient norms provide computationally efficient proxies for identifying these high-influence components; and (3) coordinated parameter and data selection yields multiplicative efficiency gains, potentially reducing resource requirements by orders of magnitude. Building on these theoretical foundations, we propose a two-stage paradigm—marginal-return pretraining for foundation developers and influence-guided adaptation for downstream users—bridged by gradient blueprints, metadata describing which parameters matter most for various tasks. This capability-per-resource perspective transforms what were once considered pragmatic hardware workarounds into theoretically optimal strategies, democratizing access to cutting-edge AI capabilities while significantly reducing environmental impact. By embedding resource consciousness into how we develop, adapt, and evaluate models, we can reshape AI progress toward a more sustainable and equitable future.

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ICLR Conference 2025 Conference Paper

Counterfactual Generative Modeling with Variational Causal Inference

Yulun Wu
Louie McConnell
Claudia Iriondo

Estimating an individual's potential outcomes under counterfactual treatments is a challenging task for traditional causal inference and supervised learning approaches when the outcome is high-dimensional (e.g. gene expressions, facial images) and covariates are relatively limited. In this case, to predict one's outcomes under counterfactual treatments, it is crucial to leverage individual information contained in the observed outcome in addition to the covariates. Prior works using variational inference in counterfactual generative modeling have been focusing on neural adaptations and model variants within the conditional variational autoencoder formulation, which we argue is fundamentally ill-suited to the notion of counterfactual in causal inference. In this work, we present a novel variational Bayesian causal inference framework and its theoretical backings to properly handle counterfactual generative modeling tasks, through which we are able to conduct counterfactual supervision end-to-end during training without any counterfactual samples, and encourage disentangled exogenous noise abduction that aids the correct identification of causal effect in counterfactual generations. In experiments, we demonstrate the advantage of our framework compared to state-of-the-art models in counterfactual generative modeling on multiple benchmarks.

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AAAI Conference 2025 Conference Paper

FatesGS: Fast and Accurate Sparse-View Surface Reconstruction Using Gaussian Splatting with Depth-Feature Consistency

Han Huang
Yulun Wu
Chao Deng
Ge Gao
Ming Gu
Yu-Shen Liu

Recently, Gaussian Splatting has sparked a new trend in the field of computer vision. Apart from novel view synthesis, it has also been extended to the area of multi-view reconstruction. The latest methods facilitate complete, detailed surface reconstruction while ensuring fast training speed. However, these methods still require dense input views, and their output quality significantly degrades with sparse views. We observed that the Gaussian primitives tend to overfit the few training views, leading to noisy floaters and incomplete reconstruction surfaces. In this paper, we present an innovative sparse-view reconstruction framework that leverages intra-view depth and multi-view feature consistency to achieve remarkably accurate surface reconstruction. Specifically, we utilize monocular depth ranking information to supervise the consistency of depth distribution within patches and employ a smoothness loss to enhance the continuity of the distribution. To achieve finer surface reconstruction, we optimize the absolute position of depth through multi-view projection features. Extensive experiments on DTU and BlendedMVS demonstrate that our method outperforms state-of-the-art methods with a speedup of 60x to 200x, achieving swift and fine-grained mesh reconstruction without the need for costly pre-training.

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AAAI Conference 2025 Conference Paper

Sparis: Neural Implicit Surface Reconstruction of Indoor Scenes from Sparse Views

Yulun Wu
Han Huang
Wenyuan Zhang
Chao Deng
Ge Gao
Ming Gu
Yu-Shen Liu

In recent years, reconstructing indoor scene geometry from multi-view images has achieved encouraging accomplishments. Current methods incorporate monocular priors into neural implicit surface models to achieve high-quality reconstructions. However, these methods require hundreds of images for scene reconstruction. When only a limited number of views are available as input, the performance of monocular priors deteriorates due to scale ambiguity, leading to the collapse of the reconstructed scene geometry. In this paper, we propose a new method, named Sparis, for indoor surface reconstruction from sparse views. Specifically, we investigate the impact of monocular priors on sparse scene reconstruction, introducing a novel prior based on inter-image matching information. Our prior offers more accurate depth information while ensuring cross-view matching consistency. Additionally, we employ an angular filter strategy and an epipolar matching weight function, aiming to reduce errors due to view matching inaccuracies, thereby refining the inter-image prior for improved reconstruction accuracy. The experiments conducted on widely used benchmarks demonstrate superior performance in sparse-view scene reconstruction.

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ICML Conference 2025 Conference Paper

Zero-shot Meta-learning for Tabular Prediction Tasks with Adversarially Pre-trained Transformer

Yulun Wu
Doron L. Bergman

We present an Adversarially Pre-trained Transformer (APT) that is able to perform zero-shot meta-learning on tabular prediction tasks without using any real-world dataset to pre-train the model, extending on the recent development of Prior-Data Fitted Networks (PFNs) and TabPFN. Specifically, APT is pre-trained with adversarial synthetic data agents, who continue to shift their underlying data generating distribution and deliberately challenge the model with different synthetic datasets. In addition, we propose a mixture block model architecture that is able to handle classification tasks with arbitrary number of classes, addressing the class size limitation – a crucial weakness of prior tabular zero-shot learning algorithms. In experiments, we show that our framework matches state-of-the-art performance on small tabular classification tasks without filtering on dataset characteristics such as number of classes and number of missing values, while maintaining an average runtime under one second. On common benchmark dataset suites in both classification and regression, we show that adversarial pre-training was able to enhance TabPFN’s performance. In our analysis, we demonstrate that the adversarial synthetic data agents were able to generate a more diverse collection of data compared to the ordinary random generator in TabPFN. In addition, we demonstrate that our mixture block neural design has improved generalizability and greatly accelerated pre-training.

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ICML Conference 2024 Conference Paper

Longitudinal Targeted Minimum Loss-based Estimation with Temporal-Difference Heterogeneous Transformer

Toru Shirakawa
Yi Li
Yulun Wu
Sky Qiu
Yuxuan Li
Mingduo Zhao
Hiroyasu Iso
Mark J. van der Laan

We propose Deep Longitudinal Targeted Minimum Loss-based Estimation (Deep LTMLE), a novel approach to estimate the counterfactual mean of outcome under dynamic treatment policies in longitudinal problem settings. Our approach utilizes a transformer architecture with heterogeneous type embedding trained using temporal-difference learning. After obtaining an initial estimate using the transformer, following the targeted minimum loss-based likelihood estimation (TMLE) framework, we statistically corrected for the bias commonly associated with machine learning algorithms. Furthermore, our method also facilitates statistical inference by enabling the provision of 95% confidence intervals grounded in asymptotic statistical theory. Simulation results demonstrate our method’s superior performance over existing approaches, particularly in complex, long time-horizon scenarios. It remains effective in small-sample, short-duration contexts, matching the performance of asymptotically efficient estimators. To demonstrate our method in practice, we applied our method to estimate counterfactual mean outcomes for standard versus intensive blood pressure management strategies in a real-world cardiovascular epidemiology cohort study.

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AAAI Conference 2024 Conference Paper

NeuSurf: On-Surface Priors for Neural Surface Reconstruction from Sparse Input Views

Han Huang
Yulun Wu
Junsheng Zhou
Ge Gao
Ming Gu
Yu-Shen Liu

Recently, neural implicit functions have demonstrated remarkable results in the field of multi-view reconstruction. However, most existing methods are tailored for dense views and exhibit unsatisfactory performance when dealing with sparse views. Several latest methods have been proposed for generalizing implicit reconstruction to address the sparse view reconstruction task, but they still suffer from high training costs and are merely valid under carefully selected perspectives. In this paper, we propose a novel sparse view reconstruction framework that leverages on-surface priors to achieve highly faithful surface reconstruction. Specifically, we design several constraints on global geometry alignment and local geometry refinement for jointly optimizing coarse shapes and fine details. To achieve this, we train a neural network to learn a global implicit field from the on-surface points obtained from SfM and then leverage it as a coarse geometric constraint. To exploit local geometric consistency, we project on-surface points onto seen and unseen views, treating the consistent loss of projected features as a fine geometric constraint. The experimental results with DTU and BlendedMVS datasets in two prevalent sparse settings demonstrate significant improvements over the state-of-the-art methods.

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ICLR Conference 2023 Conference Paper

Predicting Cellular Responses with Variational Causal Inference and Refined Relational Information

Yulun Wu
Robert A. Barton
Zichen Wang 0002
Vassilis N. Ioannidis
Carlo De Donno
Layne Price
Luis F. Voloch
George Karypis

Predicting the responses of a cell under perturbations may bring important benefits to drug discovery and personalized therapeutics. In this work, we propose a novel graph variational Bayesian causal inference framework to predict a cell's gene expressions under counterfactual perturbations (perturbations that this cell did not factually receive), leveraging information representing biological knowledge in the form of gene regulatory networks (GRNs) to aid individualized cellular response predictions. Aiming at a data-adaptive GRN, we also developed an adjacency matrix updating technique for graph convolutional networks and used it to refine GRNs during pre-training, which generated more insights on gene relations and enhanced model performance. Additionally, we propose a robust estimator within our framework for the asymptotically efficient estimation of marginal perturbation effect, which is yet to be carried out in previous works. With extensive experiments, we exhibited the advantage of our approach over state-of-the-art deep learning models for individual response prediction.

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ICLR Conference 2022 Conference Paper

Spatial Graph Attention and Curiosity-driven Policy for Antiviral Drug Discovery

Yulun Wu
Nicholas Choma
Andrew Deru Chen
Mikaela Cashman
Érica Teixeira Prates
Verónica G. Melesse Vergara
Manesh Shah
Austin Clyde

We developed Distilled Graph Attention Policy Network (DGAPN), a reinforcement learning model to generate novel graph-structured chemical representations that optimize user-defined objectives by efficiently navigating a physically constrained domain. The framework is examined on the task of generating molecules that are designed to bind, noncovalently, to functional sites of SARS-CoV-2 proteins. We present a spatial Graph Attention (sGAT) mechanism that leverages self-attention over both node and edge attributes as well as encoding the spatial structure --- this capability is of considerable interest in synthetic biology and drug discovery. An attentional policy network is introduced to learn the decision rules for a dynamic, fragment-based chemical environment, and state-of-the-art policy gradient techniques are employed to train the network with stability. Exploration is driven by the stochasticity of the action space design and the innovation reward bonuses learned and proposed by random network distillation. In experiments, our framework achieved outstanding results compared to state-of-the-art algorithms, while reducing the complexity of paths to chemical synthesis.

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