Abstract:Recovering high-quality 3D scenes from a single RGB image is a challenging task in computer graphics. Current methods often struggle with domain-specific limitations or low-quality object generation. To address these, we propose CAST (Component-Aligned 3D Scene Reconstruction from a Single RGB Image), a novel method for 3D scene reconstruction and recovery. CAST starts by extracting object-level 2D segmentation and relative depth information from the input image, followed by using a GPT-based model to analyze inter-object spatial relationships. This enables the understanding of how objects relate to each other within the scene, ensuring more coherent reconstruction. CAST then employs an occlusion-aware large-scale 3D generation model to independently generate each object's full geometry, using MAE and point cloud conditioning to mitigate the effects of occlusions and partial object information, ensuring accurate alignment with the source image's geometry and texture. To align each object with the scene, the alignment generation model computes the necessary transformations, allowing the generated meshes to be accurately placed and integrated into the scene's point cloud. Finally, CAST incorporates a physics-aware correction step that leverages a fine-grained relation graph to generate a constraint graph. This graph guides the optimization of object poses, ensuring physical consistency and spatial coherence. By utilizing Signed Distance Fields (SDF), the model effectively addresses issues such as occlusions, object penetration, and floating objects, ensuring that the generated scene accurately reflects real-world physical interactions. CAST can be leveraged in robotics, enabling efficient real-to-simulation workflows and providing realistic, scalable simulation environments for robotic systems.
Abstract:Counterfactual inference aims to estimate the counterfactual outcome at the individual level given knowledge of an observed treatment and the factual outcome, with broad applications in fields such as epidemiology, econometrics, and management science. Previous methods rely on a known structural causal model (SCM) or assume the homogeneity of the exogenous variable and strict monotonicity between the outcome and exogenous variable. In this paper, we propose a principled approach for identifying and estimating the counterfactual outcome. We first introduce a simple and intuitive rank preservation assumption to identify the counterfactual outcome without relying on a known structural causal model. Building on this, we propose a novel ideal loss for theoretically unbiased learning of the counterfactual outcome and further develop a kernel-based estimator for its empirical estimation. Our theoretical analysis shows that the rank preservation assumption is not stronger than the homogeneity and strict monotonicity assumptions, and shows that the proposed ideal loss is convex, and the proposed estimator is unbiased. Extensive semi-synthetic and real-world experiments are conducted to demonstrate the effectiveness of the proposed method.
Abstract:Science laboratory automation enables accelerated discovery in life sciences and materials. However, it requires interdisciplinary collaboration to address challenges such as robust and flexible autonomy, reproducibility, throughput, standardization, the role of human scientists, and ethics. This article highlights these issues, reflecting perspectives from leading experts in laboratory automation across different disciplines of the natural sciences.
Abstract:Accurately predicting protein melting temperature changes (Delta Tm) is fundamental for assessing protein stability and guiding protein engineering. Leveraging multi-modal protein representations has shown great promise in capturing the complex relationships among protein sequences, structures, and functions. In this study, we develop models based on powerful protein language models, including ESM-2, ESM-3, SaProt, and AlphaFold, using various feature extraction methods to enhance prediction accuracy. By utilizing the ESM-3 model, we achieve a new state-of-the-art performance on the s571 test dataset, obtaining a Pearson correlation coefficient (PCC) of 0.50. Furthermore, we conduct a fair evaluation to compare the performance of different protein language models in the Delta Tm prediction task. Our results demonstrate that integrating multi-modal protein representations could advance the prediction of protein melting temperatures.
Abstract:Estimating causal effects from nonexperimental data is a fundamental problem in many fields of science. A key component of this task is selecting an appropriate set of covariates for confounding adjustment to avoid bias. Most existing methods for covariate selection often assume the absence of latent variables and rely on learning the global network structure among variables. However, identifying the global structure can be unnecessary and inefficient, especially when our primary interest lies in estimating the effect of a treatment variable on an outcome variable. To address this limitation, we propose a novel local learning approach for covariate selection in nonparametric causal effect estimation, which accounts for the presence of latent variables. Our approach leverages testable independence and dependence relationships among observed variables to identify a valid adjustment set for a target causal relationship, ensuring both soundness and completeness under standard assumptions. We validate the effectiveness of our algorithm through extensive experiments on both synthetic and real-world data.
Abstract:We address the issue of the testability of instrumental variables derived from observational data. Most existing testable implications are centered on scenarios where the treatment is a discrete variable, e.g., instrumental inequality (Pearl, 1995), or where the effect is assumed to be constant, e.g., instrumental variables condition based on the principle of independent mechanisms (Burauel, 2023). However, treatments can often be continuous variables, such as drug dosages or nutritional content levels, and non-constant effects may occur in many real-world scenarios. In this paper, we consider an additive nonlinear, non-constant effects model with unmeasured confounders, in which treatments can be either discrete or continuous, and propose an Auxiliary-based Independence Test (AIT) condition to test whether a variable is a valid instrument. We first show that if the candidate instrument is valid, then the AIT condition holds. Moreover, we illustrate the implications of the AIT condition and demonstrate that, in certain conditions, AIT conditions are necessary and sufficient to detect all invalid IVs. We also extend the AIT condition to include covariates and introduce a practical testing algorithm. Experimental results on both synthetic and three different real-world datasets show the effectiveness of our proposed condition.
Abstract:Foundation models in computer vision have demonstrated exceptional performance in zero-shot and few-shot tasks by extracting multi-purpose features from large-scale datasets through self-supervised pre-training methods. However, these models often overlook the severe corruption in cryogenic electron microscopy (cryo-EM) images by high-level noises. We introduce DRACO, a Denoising-Reconstruction Autoencoder for CryO-EM, inspired by the Noise2Noise (N2N) approach. By processing cryo-EM movies into odd and even images and treating them as independent noisy observations, we apply a denoising-reconstruction hybrid training scheme. We mask both images to create denoising and reconstruction tasks. For DRACO's pre-training, the quality of the dataset is essential, we hence build a high-quality, diverse dataset from an uncurated public database, including over 270,000 movies or micrographs. After pre-training, DRACO naturally serves as a generalizable cryo-EM image denoiser and a foundation model for various cryo-EM downstream tasks. DRACO demonstrates the best performance in denoising, micrograph curation, and particle picking tasks compared to state-of-the-art baselines. We will release the code, pre-trained models, and the curated dataset to stimulate further research.
Abstract:We consider the challenging problem of estimating causal effects from purely observational data in the bi-directional Mendelian randomization (MR), where some invalid instruments, as well as unmeasured confounding, usually exist. To address this problem, most existing methods attempt to find proper valid instrumental variables (IVs) for the target causal effect by expert knowledge or by assuming that the causal model is a one-directional MR model. As such, in this paper, we first theoretically investigate the identification of the bi-directional MR from observational data. In particular, we provide necessary and sufficient conditions under which valid IV sets are correctly identified such that the bi-directional MR model is identifiable, including the causal directions of a pair of phenotypes (i.e., the treatment and outcome). Moreover, based on the identification theory, we develop a cluster fusion-like method to discover valid IV sets and estimate the causal effects of interest. We theoretically demonstrate the correctness of the proposed algorithm. Experimental results show the effectiveness of our method for estimating causal effects in bi-directional MR.
Abstract:Diffusion models have demonstrated impressive image generation capabilities. Personalized approaches, such as textual inversion and Dreambooth, enhance model individualization using specific images. These methods enable generating images of specific objects based on diverse textual contexts. Our proposed approach aims to retain the model's original knowledge during new information integration, resulting in superior outcomes while necessitating less training time compared to Dreambooth and textual inversion.
Abstract:We propose a training-free and robust solution to offer camera movement control for off-the-shelf video diffusion models. Unlike previous work, our method does not require any supervised finetuning on camera-annotated datasets or self-supervised training via data augmentation. Instead, it can be plugged and played with most pretrained video diffusion models and generate camera controllable videos with a single image or text prompt as input. The inspiration of our work comes from the layout prior that intermediate latents hold towards generated results, thus rearranging noisy pixels in them will make output content reallocated as well. As camera move could also be seen as a kind of pixel rearrangement caused by perspective change, videos could be reorganized following specific camera motion if their noisy latents change accordingly. Established on this, we propose our method CamTrol, which enables robust camera control for video diffusion models. It is achieved by a two-stage process. First, we model image layout rearrangement through explicit camera movement in 3D point cloud space. Second, we generate videos with camera motion using layout prior of noisy latents formed by a series of rearranged images. Extensive experiments have demonstrated the robustness our method holds in controlling camera motion of generated videos. Furthermore, we show that our method can produce impressive results in generating 3D rotation videos with dynamic content. Project page at https://lifedecoder.github.io/CamTrol/.