GeoGuide: Geometric guidance of diffusion models

Diffusion models are among the most effective methods for image generation. This is in particular because, unlike GANs, they can be easily conditioned during training to produce elements with desired class or properties. However, guiding a pre-trained diffusion model to generate elements from previously unlabeled data is significantly more challenging. One of the possible solutions was given by the ADM-G guiding approach. Although ADM-G successfully generates elements from the given class, there is a significant quality gap compared to a model originally conditioned on this class. In particular, the FID score obtained by the ADM-G-guided diffusion model is nearly three times lower than the class-conditioned guidance. We demonstrate that this issue is partly due to ADM-G providing minimal guidance during the final stage of the denoising process. To address this problem, we propose GeoGuide, a guidance model based on tracing the distance of the diffusion model's trajectory from the data manifold. The main idea of GeoGuide is to produce normalized adjustments during the backward denoising process. As shown in the experiments, GeoGuide surpasses the probabilistic approach ADM-G with respect to both the FID scores and the quality of the generated images.

RetroGFN: Diverse and Feasible Retrosynthesis using GFlowNets

Single-step retrosynthesis aims to predict a set of reactions that lead to the creation of a target molecule, which is a crucial task in molecular discovery. Although a target molecule can often be synthesized with multiple different reactions, it is not clear how to verify the feasibility of a reaction, because the available datasets cover only a tiny fraction of the possible solutions. Consequently, the existing models are not encouraged to explore the space of possible reactions sufficiently. In this paper, we propose a novel single-step retrosynthesis model, RetroGFN, that can explore outside the limited dataset and return a diverse set of feasible reactions by leveraging a feasibility proxy model during the training. We show that RetroGFN achieves competitive results on standard top-k accuracy while outperforming existing methods on round-trip accuracy. Moreover, we provide empirical arguments in favor of using round-trip accuracy which expands the notion of feasibility with respect to the standard top-k accuracy metric.

PrAViC: Probabilistic Adaptation Framework for Real-Time Video Classification

Video processing is generally divided into two main categories: processing of the entire video, which typically yields optimal classification outcomes, and real-time processing, where the objective is to make a decision as promptly as possible. The latter is often driven by the need to identify rapidly potential critical or dangerous situations. These could include machine failure, traffic accidents, heart problems, or dangerous behavior. Although the models dedicated to the processing of entire videos are typically well-defined and clearly presented in the literature, this is not the case for online processing, where a plethora of hand-devised methods exist. To address this, we present \our{}, a novel, unified, and theoretically-based adaptation framework for dealing with the online classification problem for video data. The initial phase of our study is to establish a robust mathematical foundation for the theory of classification of sequential data, with the potential to make a decision at an early stage. This allows us to construct a natural function that encourages the model to return an outcome much faster. The subsequent phase is to demonstrate a straightforward and readily implementable method for adapting offline models to online and recurrent operations. Finally, by comparing the proposed approach to the non-online state-of-the-art baseline, it is demonstrated that the use of \our{} encourages the network to make earlier classification decisions without compromising accuracy.

Sparser, Better, Deeper, Stronger: Improving Sparse Training with Exact Orthogonal Initialization

Static sparse training aims to train sparse models from scratch, achieving remarkable results in recent years. A key design choice is given by the sparse initialization, which determines the trainable sub-network through a binary mask. Existing methods mainly select such mask based on a predefined dense initialization. Such an approach may not efficiently leverage the mask's potential impact on the optimization. An alternative direction, inspired by research into dynamical isometry, is to introduce orthogonality in the sparse subnetwork, which helps in stabilizing the gradient signal. In this work, we propose Exact Orthogonal Initialization (EOI), a novel sparse orthogonal initialization scheme based on composing random Givens rotations. Contrary to other existing approaches, our method provides exact (not approximated) orthogonality and enables the creation of layers with arbitrary densities. We demonstrate the superior effectiveness and efficiency of EOI through experiments, consistently outperforming common sparse initialization techniques. Our method enables training highly sparse 1000-layer MLP and CNN networks without residual connections or normalization techniques, emphasizing the crucial role of weight initialization in static sparse training alongside sparse mask selection. The code is available at https://github.com/woocash2/sparser-better-deeper-stronger

LoRA-XS: Low-Rank Adaptation with Extremely Small Number of Parameters

The recent trend in scaling language models has led to a growing demand for parameter-efficient tuning (PEFT) methods such as LoRA (Low-Rank Adaptation). LoRA consistently matches or surpasses the full fine-tuning baseline with fewer parameters. However, handling numerous task-specific or user-specific LoRA modules on top of a base model still presents significant storage challenges. To address this, we introduce LoRA-XS (Low-Rank Adaptation with eXtremely Small number of parameters), a novel approach leveraging Singular Value Decomposition (SVD) for parameter-efficient fine-tuning. LoRA-XS introduces a small r x r weight matrix between frozen LoRA matrices, which are constructed by SVD of the original weight matrix. Training only r x r weight matrices ensures independence from model dimensions, enabling more parameter-efficient fine-tuning, especially for larger models. LoRA-XS achieves a remarkable reduction of trainable parameters by over 100x in 7B models compared to LoRA. Our benchmarking across various scales, including GLUE, GSM8k, and MATH benchmarks, shows that our approach outperforms LoRA and recent state-of-the-art approaches like VeRA in terms of parameter efficiency while maintaining competitive performance.

LucidPPN: Unambiguous Prototypical Parts Network for User-centric Interpretable Computer Vision

Prototypical parts networks combine the power of deep learning with the explainability of case-based reasoning to make accurate, interpretable decisions. They follow the this looks like that reasoning, representing each prototypical part with patches from training images. However, a single image patch comprises multiple visual features, such as color, shape, and texture, making it difficult for users to identify which feature is important to the model. To reduce this ambiguity, we introduce the Lucid Prototypical Parts Network (LucidPPN), a novel prototypical parts network that separates color prototypes from other visual features. Our method employs two reasoning branches: one for non-color visual features, processing grayscale images, and another focusing solely on color information. This separation allows us to clarify whether the model's decisions are based on color, shape, or texture. Additionally, LucidPPN identifies prototypical parts corresponding to semantic parts of classified objects, making comparisons between data classes more intuitive, e.g., when two bird species might differ primarily in belly color. Our experiments demonstrate that the two branches are complementary and together achieve results comparable to baseline methods. More importantly, LucidPPN generates less ambiguous prototypical parts, enhancing user understanding.

ProPML: Probability Partial Multi-label Learning

Partial Multi-label Learning (PML) is a type of weakly supervised learning where each training instance corresponds to a set of candidate labels, among which only some are true. In this paper, we introduce \our{}, a novel probabilistic approach to this problem that extends the binary cross entropy to the PML setup. In contrast to existing methods, it does not require suboptimal disambiguation and, as such, can be applied to any deep architecture. Furthermore, experiments conducted on artificial and real-world datasets indicate that \our{} outperforms existing approaches, especially for high noise in a candidate set.

GaMeS: Mesh-Based Adapting and Modification of Gaussian Splatting

Recently, a range of neural network-based methods for image rendering have been introduced. One such widely-researched neural radiance field (NeRF) relies on a neural network to represent 3D scenes, allowing for realistic view synthesis from a small number of 2D images. However, most NeRF models are constrained by long training and inference times. In comparison, Gaussian Splatting (GS) is a novel, state-of-the-art technique for rendering points in a 3D scene by approximating their contribution to image pixels through Gaussian distributions, warranting fast training and swift, real-time rendering. A drawback of GS is the absence of a well-defined approach for its conditioning due to the necessity to condition several hundred thousand Gaussian components. To solve this, we introduce the Gaussian Mesh Splatting (GaMeS) model, which allows modification of Gaussian components in a similar way as meshes. We parameterize each Gaussian component by the vertices of the mesh face. Furthermore, our model needs mesh initialization on input or estimated mesh during training. We also define Gaussian splats solely based on their location on the mesh, allowing for automatic adjustments in position, scale, and rotation during animation. As a result, we obtain a real-time rendering of editable GS.

ImplicitDeepfake: Plausible Face-Swapping through Implicit Deepfake Generation using NeRF and Gaussian Splatting

Numerous emerging deep-learning techniques have had a substantial impact on computer graphics. Among the most promising breakthroughs are the recent rise of Neural Radiance Fields (NeRFs) and Gaussian Splatting (GS). NeRFs encode the object's shape and color in neural network weights using a handful of images with known camera positions to generate novel views. In contrast, GS provides accelerated training and inference without a decrease in rendering quality by encoding the object's characteristics in a collection of Gaussian distributions. These two techniques have found many use cases in spatial computing and other domains. On the other hand, the emergence of deepfake methods has sparked considerable controversy. Such techniques can have a form of artificial intelligence-generated videos that closely mimic authentic footage. Using generative models, they can modify facial features, enabling the creation of altered identities or facial expressions that exhibit a remarkably realistic appearance to a real person. Despite these controversies, deepfake can offer a next-generation solution for avatar creation and gaming when of desirable quality. To that end, we show how to combine all these emerging technologies to obtain a more plausible outcome. Our ImplicitDeepfake1 uses the classical deepfake algorithm to modify all training images separately and then train NeRF and GS on modified faces. Such relatively simple strategies can produce plausible 3D deepfake-based avatars.

Gaussian Splatting with NeRF-based Color and Opacity

Neural Radiance Fields (NeRFs) have demonstrated the remarkable potential of neural networks to capture the intricacies of 3D objects. By encoding the shape and color information within neural network weights, NeRFs excel at producing strikingly sharp novel views of 3D objects. Recently, numerous generalizations of NeRFs utilizing generative models have emerged, expanding its versatility. In contrast, Gaussian Splatting (GS) offers a similar renders quality with faster training and inference as it does not need neural networks to work. We encode information about the 3D objects in the set of Gaussian distributions that can be rendered in 3D similarly to classical meshes. Unfortunately, GS are difficult to condition since they usually require circa hundred thousand Gaussian components. To mitigate the caveats of both models, we propose a hybrid model that uses GS representation of the 3D object's shape and NeRF-based encoding of color and opacity. Our model uses Gaussian distributions with trainable positions (i.e. means of Gaussian), shape (i.e. covariance of Gaussian), color and opacity, and neural network, which takes parameters of Gaussian and viewing direction to produce changes in color and opacity. Consequently, our model better describes shadows, light reflections, and transparency of 3D objects.