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We propose a novel family of decision-aware surrogate losses, called Perturbation Gradient (PG) losses, for the predict-then-optimize framework. These losses directly approximate the downstream decision loss and can be optimized using off-the-shelf gradient-based methods. Importantly, unlike existing surrogate losses, the approximation error of our PG losses vanishes as the number of samples grows. This implies that optimizing our surrogate loss yields a best-in-class policy asymptotically, even in misspecified settings. This is the first such result in misspecified settings and we provide numerical evidence confirming our PG losses substantively outperform existing proposals when the underlying model is misspecified and the noise is not centrally symmetric. Insofar as misspecification is commonplace in practice -- especially when we might prefer a simpler, more interpretable model -- PG losses offer a novel, theoretically justified, method for computationally tractable decision-aware learning.

Text-to-3D generation has achieved significant success by incorporating powerful 2D diffusion models, but insufficient 3D prior knowledge also leads to the inconsistency of 3D geometry. Recently, since large-scale multi-view datasets have been released, fine-tuning the diffusion model on the multi-view datasets becomes a mainstream to solve the 3D inconsistency problem. However, it has confronted with fundamental difficulties regarding the limited quality and diversity of 3D data, compared with 2D data. To sidestep these trade-offs, we explore a retrieval-augmented approach tailored for score distillation, dubbed RetDream. We postulate that both expressiveness of 2D diffusion models and geometric consistency of 3D assets can be fully leveraged by employing the semantically relevant assets directly within the optimization process. To this end, we introduce novel framework for retrieval-based quality enhancement in text-to-3D generation. We leverage the retrieved asset to incorporate its geometric prior in the variational objective and adapt the diffusion model's 2D prior toward view consistency, achieving drastic improvements in both geometry and fidelity of generated scenes. We conduct extensive experiments to demonstrate that RetDream exhibits superior quality with increased geometric consistency. Project page is available at //ku-cvlab.github.io/RetDream/.

Denoising diffusion probabilistic models (DDPMs) have recently taken the field of generative modeling by storm, pioneering new state-of-the-art results in disciplines such as computer vision and computational biology for diverse tasks ranging from text-guided image generation to structure-guided protein design. Along this latter line of research, methods have recently been proposed for generating 3D molecules using equivariant graph neural networks (GNNs) within a DDPM framework. However, such methods are unable to learn important geometric and physical properties of 3D molecules during molecular graph generation, as they adopt molecule-agnostic and non-geometric GNNs as their 3D graph denoising networks, which negatively impacts their ability to effectively scale to datasets of large 3D molecules. In this work, we address these gaps by introducing the Geometry-Complete Diffusion Model (GCDM) for 3D molecule generation, which outperforms existing 3D molecular diffusion models by significant margins across conditional and unconditional settings for the QM9 dataset as well as for the larger GEOM-Drugs dataset. Importantly, we demonstrate that the geometry-complete denoising process GCDM learns for 3D molecule generation allows the model to generate realistic and stable large molecules at the scale of GEOM-Drugs, whereas previous methods fail to do so with the features they learn. Additionally, we show that extensions of GCDM can not only effectively design 3D molecules for specific protein pockets but also that GCDM's geometric features can effectively be repurposed to directly optimize the geometry and chemical composition of existing 3D molecules for specific molecular properties, demonstrating new, real-world versatility of molecular diffusion models. Our source code and data are freely available at //github.com/BioinfoMachineLearning/Bio-Diffusion.

Fingerprinting arguments, first introduced by Bun, Ullman, and Vadhan (STOC 2014), are the most widely used method for establishing lower bounds on the sample complexity or error of approximately differentially private (DP) algorithms. Still, there are many problems in differential privacy for which we don't know suitable lower bounds, and even for problems that we do, the lower bounds are not smooth, and usually become vacuous when the error is larger than some threshold. In this work, we present a new framework and tools to generate smooth lower bounds on the sample complexity of differentially private algorithms satisfying very weak accuracy. We illustrate the applicability of our method by providing new lower bounds in various settings: 1. A tight lower bound for DP averaging in the low-accuracy regime, which in particular implies a lower bound for the private 1-cluster problem introduced by Nissim, Stemmer, and Vadhan (PODS 2016). 2. A lower bound on the additive error of DP algorithms for approximate k-means clustering, as a function of the multiplicative error, which is tight for a constant multiplication error. 3. A lower bound for estimating the top singular vector of a matrix under DP in low-accuracy regimes, which is a special case of DP subspace estimation studied by Singhal and Steinke (NeurIPS 2021). Our main technique is to apply a padding-and-permuting transformation to a fingerprinting code. However, rather than proving our results using a black-box access to an existing fingerprinting code (e.g., Tardos' code), we develop a new fingerprinting lemma that is stronger than those of Dwork et al. (FOCS 2015) and Bun et al. (SODA 2017), and prove our lower bounds directly from the lemma. Our lemma, in particular, gives a simpler fingerprinting code construction with optimal rate (up to polylogarithmic factors) that is of independent interest.

Generating rich and controllable motion is a pivotal challenge in video synthesis. We propose Boximator, a new approach for fine-grained motion control. Boximator introduces two constraint types: hard box and soft box. Users select objects in the conditional frame using hard boxes and then use either type of boxes to roughly or rigorously define the object's position, shape, or motion path in future frames. Boximator functions as a plug-in for existing video diffusion models. Its training process preserves the base model's knowledge by freezing the original weights and training only the control module. To address training challenges, we introduce a novel self-tracking technique that greatly simplifies the learning of box-object correlations. Empirically, Boximator achieves state-of-the-art video quality (FVD) scores, improving on two base models, and further enhanced after incorporating box constraints. Its robust motion controllability is validated by drastic increases in the bounding box alignment metric. Human evaluation also shows that users favor Boximator generation results over the base model.

Existing knowledge graph (KG) embedding models have primarily focused on static KGs. However, real-world KGs do not remain static, but rather evolve and grow in tandem with the development of KG applications. Consequently, new facts and previously unseen entities and relations continually emerge, necessitating an embedding model that can quickly learn and transfer new knowledge through growth. Motivated by this, we delve into an expanding field of KG embedding in this paper, i.e., lifelong KG embedding. We consider knowledge transfer and retention of the learning on growing snapshots of a KG without having to learn embeddings from scratch. The proposed model includes a masked KG autoencoder for embedding learning and update, with an embedding transfer strategy to inject the learned knowledge into the new entity and relation embeddings, and an embedding regularization method to avoid catastrophic forgetting. To investigate the impacts of different aspects of KG growth, we construct four datasets to evaluate the performance of lifelong KG embedding. Experimental results show that the proposed model outperforms the state-of-the-art inductive and lifelong embedding baselines.

In this paper, we propose a novel Feature Decomposition and Reconstruction Learning (FDRL) method for effective facial expression recognition. We view the expression information as the combination of the shared information (expression similarities) across different expressions and the unique information (expression-specific variations) for each expression. More specifically, FDRL mainly consists of two crucial networks: a Feature Decomposition Network (FDN) and a Feature Reconstruction Network (FRN). In particular, FDN first decomposes the basic features extracted from a backbone network into a set of facial action-aware latent features to model expression similarities. Then, FRN captures the intra-feature and inter-feature relationships for latent features to characterize expression-specific variations, and reconstructs the expression feature. To this end, two modules including an intra-feature relation modeling module and an inter-feature relation modeling module are developed in FRN. Experimental results on both the in-the-lab databases (including CK+, MMI, and Oulu-CASIA) and the in-the-wild databases (including RAF-DB and SFEW) show that the proposed FDRL method consistently achieves higher recognition accuracy than several state-of-the-art methods. This clearly highlights the benefit of feature decomposition and reconstruction for classifying expressions.

Answering questions that require reading texts in an image is challenging for current models. One key difficulty of this task is that rare, polysemous, and ambiguous words frequently appear in images, e.g., names of places, products, and sports teams. To overcome this difficulty, only resorting to pre-trained word embedding models is far from enough. A desired model should utilize the rich information in multiple modalities of the image to help understand the meaning of scene texts, e.g., the prominent text on a bottle is most likely to be the brand. Following this idea, we propose a novel VQA approach, Multi-Modal Graph Neural Network (MM-GNN). It first represents an image as a graph consisting of three sub-graphs, depicting visual, semantic, and numeric modalities respectively. Then, we introduce three aggregators which guide the message passing from one graph to another to utilize the contexts in various modalities, so as to refine the features of nodes. The updated nodes have better features for the downstream question answering module. Experimental evaluations show that our MM-GNN represents the scene texts better and obviously facilitates the performances on two VQA tasks that require reading scene texts.

Convolutional neural networks (CNNs) have shown dramatic improvements in single image super-resolution (SISR) by using large-scale external samples. Despite their remarkable performance based on the external dataset, they cannot exploit internal information within a specific image. Another problem is that they are applicable only to the specific condition of data that they are supervised. For instance, the low-resolution (LR) image should be a "bicubic" downsampled noise-free image from a high-resolution (HR) one. To address both issues, zero-shot super-resolution (ZSSR) has been proposed for flexible internal learning. However, they require thousands of gradient updates, i.e., long inference time. In this paper, we present Meta-Transfer Learning for Zero-Shot Super-Resolution (MZSR), which leverages ZSSR. Precisely, it is based on finding a generic initial parameter that is suitable for internal learning. Thus, we can exploit both external and internal information, where one single gradient update can yield quite considerable results. (See Figure 1). With our method, the network can quickly adapt to a given image condition. In this respect, our method can be applied to a large spectrum of image conditions within a fast adaptation process.

Verifiability is one of the core editing principles in Wikipedia, where editors are encouraged to provide citations for the added statements. Statements can be any arbitrary piece of text, ranging from a sentence up to a paragraph. However, in many cases, citations are either outdated, missing, or link to non-existing references (e.g. dead URL, moved content etc.). In total, 20\% of the cases such citations refer to news articles and represent the second most cited source. Even in cases where citations are provided, there are no explicit indicators for the span of a citation for a given piece of text. In addition to issues related with the verifiability principle, many Wikipedia entity pages are incomplete, with relevant information that is already available in online news sources missing. Even for the already existing citations, there is often a delay between the news publication time and the reference time. In this thesis, we address the aforementioned issues and propose automated approaches that enforce the verifiability principle in Wikipedia, and suggest relevant and missing news references for further enriching Wikipedia entity pages.