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Oct 29

Stochastic Interpolants: A Unifying Framework for Flows and Diffusions

A class of generative models that unifies flow-based and diffusion-based methods is introduced. These models extend the framework proposed in Albergo & Vanden-Eijnden (2023), enabling the use of a broad class of continuous-time stochastic processes called `stochastic interpolants' to bridge any two arbitrary probability density functions exactly in finite time. These interpolants are built by combining data from the two prescribed densities with an additional latent variable that shapes the bridge in a flexible way. The time-dependent probability density function of the stochastic interpolant is shown to satisfy a first-order transport equation as well as a family of forward and backward Fokker-Planck equations with tunable diffusion coefficient. Upon consideration of the time evolution of an individual sample, this viewpoint immediately leads to both deterministic and stochastic generative models based on probability flow equations or stochastic differential equations with an adjustable level of noise. The drift coefficients entering these models are time-dependent velocity fields characterized as the unique minimizers of simple quadratic objective functions, one of which is a new objective for the score of the interpolant density. We show that minimization of these quadratic objectives leads to control of the likelihood for generative models built upon stochastic dynamics, while likelihood control for deterministic dynamics is more stringent. We also discuss connections with other methods such as score-based diffusion models, stochastic localization processes, probabilistic denoising techniques, and rectifying flows. In addition, we demonstrate that stochastic interpolants recover the Schr\"odinger bridge between the two target densities when explicitly optimizing over the interpolant. Finally, algorithmic aspects are discussed and the approach is illustrated on numerical examples.

  • 3 authors
·
Mar 15, 2023

Understanding Hallucinations in Diffusion Models through Mode Interpolation

Colloquially speaking, image generation models based upon diffusion processes are frequently said to exhibit "hallucinations," samples that could never occur in the training data. But where do such hallucinations come from? In this paper, we study a particular failure mode in diffusion models, which we term mode interpolation. Specifically, we find that diffusion models smoothly "interpolate" between nearby data modes in the training set, to generate samples that are completely outside the support of the original training distribution; this phenomenon leads diffusion models to generate artifacts that never existed in real data (i.e., hallucinations). We systematically study the reasons for, and the manifestation of this phenomenon. Through experiments on 1D and 2D Gaussians, we show how a discontinuous loss landscape in the diffusion model's decoder leads to a region where any smooth approximation will cause such hallucinations. Through experiments on artificial datasets with various shapes, we show how hallucination leads to the generation of combinations of shapes that never existed. Finally, we show that diffusion models in fact know when they go out of support and hallucinate. This is captured by the high variance in the trajectory of the generated sample towards the final few backward sampling process. Using a simple metric to capture this variance, we can remove over 95% of hallucinations at generation time while retaining 96% of in-support samples. We conclude our exploration by showing the implications of such hallucination (and its removal) on the collapse (and stabilization) of recursive training on synthetic data with experiments on MNIST and 2D Gaussians dataset. We release our code at https://github.com/locuslab/diffusion-model-hallucination.

  • 4 authors
·
Jun 13, 2024 1

AutoKnots: Adaptive Knot Allocation for Spline Interpolation

In astrophysical and cosmological analyses, the increasing quality and volume of astronomical data demand efficient and precise computational tools. This work introduces a novel adaptive algorithm for automatic knots (AutoKnots) allocation in spline interpolation, designed to meet user-defined precision requirements. Unlike traditional methods that rely on manually configured knot distributions with numerous parameters, the proposed technique automatically determines the optimal number and placement of knots based on interpolation error criteria. This simplifies configuration, often requiring only a single parameter. The algorithm progressively improves the interpolation by adaptively sampling the function-to-be-approximated, f(x), in regions where the interpolation error exceeds the desired threshold. All function evaluations contribute directly to the final approximation, ensuring efficiency. While each resampling step involves recomputing the interpolation table, this process is highly optimized and usually computationally negligible compared to the cost of evaluating f(x). We show the algorithm's efficacy through a series of precision tests on different functions. However, the study underscores the necessity for caution when dealing with certain function types, notably those featuring plateaus. To address this challenge, a heuristic enhancement is incorporated, improving accuracy in flat regions. This algorithm has been extensively used and tested over the years. NumCosmo includes a comprehensive set of unit tests that rigorously evaluate the algorithm both directly and indirectly, underscoring its robustness and reliability. As a practical application, we compute the surface mass density Sigma(R) and the average surface mass density Sigma(<R) for Navarro-Frenk-White and Hernquist halo density profiles, which provide analytical benchmarks. (abridged)

  • 4 authors
·
Dec 17, 2024

Interpretable structural model error discovery from sparse assimilation increments using spectral bias-reduced neural networks: A quasi-geostrophic turbulence test case

Earth system models suffer from various structural and parametric errors in their representation of nonlinear, multi-scale processes, leading to uncertainties in their long-term projections. The effects of many of these errors (particularly those due to fast physics) can be quantified in short-term simulations, e.g., as differences between the predicted and observed states (analysis increments). With the increase in the availability of high-quality observations and simulations, learning nudging from these increments to correct model errors has become an active research area. However, most studies focus on using neural networks, which while powerful, are hard to interpret, are data-hungry, and poorly generalize out-of-distribution. Here, we show the capabilities of Model Error Discovery with Interpretability and Data Assimilation (MEDIDA), a general, data-efficient framework that uses sparsity-promoting equation-discovery techniques to learn model errors from analysis increments. Using two-layer quasi-geostrophic turbulence as the test case, MEDIDA is shown to successfully discover various linear and nonlinear structural/parametric errors when full observations are available. Discovery from spatially sparse observations is found to require highly accurate interpolation schemes. While NNs have shown success as interpolators in recent studies, here, they are found inadequate due to their inability to accurately represent small scales, a phenomenon known as spectral bias. We show that a general remedy, adding a random Fourier feature layer to the NN, resolves this issue enabling MEDIDA to successfully discover model errors from sparse observations. These promising results suggest that with further development, MEDIDA could be scaled up to models of the Earth system and real observations.

  • 3 authors
·
Sep 22, 2023

Efficient Encoding of Graphics Primitives with Simplex-based Structures

Grid-based structures are commonly used to encode explicit features for graphics primitives such as images, signed distance functions (SDF), and neural radiance fields (NeRF) due to their simple implementation. However, in n-dimensional space, calculating the value of a sampled point requires interpolating the values of its 2^n neighboring vertices. The exponential scaling with dimension leads to significant computational overheads. To address this issue, we propose a simplex-based approach for encoding graphics primitives. The number of vertices in a simplex-based structure increases linearly with dimension, making it a more efficient and generalizable alternative to grid-based representations. Using the non-axis-aligned simplicial structure property, we derive and prove a coordinate transformation, simplicial subdivision, and barycentric interpolation scheme for efficient sampling, which resembles transformation procedures in the simplex noise algorithm. Finally, we use hash tables to store multiresolution features of all interest points in the simplicial grid, which are passed into a tiny fully connected neural network to parameterize graphics primitives. We implemented a detailed simplex-based structure encoding algorithm in C++ and CUDA using the methods outlined in our approach. In the 2D image fitting task, the proposed method is capable of fitting a giga-pixel image with 9.4% less time compared to the baseline method proposed by instant-ngp, while maintaining the same quality and compression rate. In the volumetric rendering setup, we observe a maximum 41.2% speedup when the samples are dense enough.

  • 2 authors
·
Nov 26, 2023

HPR3D: Hierarchical Proxy Representation for High-Fidelity 3D Reconstruction and Controllable Editing

Current 3D representations like meshes, voxels, point clouds, and NeRF-based neural implicit fields exhibit significant limitations: they are often task-specific, lacking universal applicability across reconstruction, generation, editing, and driving. While meshes offer high precision, their dense vertex data complicates editing; NeRFs deliver excellent rendering but suffer from structural ambiguity, hindering animation and manipulation; all representations inherently struggle with the trade-off between data complexity and fidelity. To overcome these issues, we introduce a novel 3D Hierarchical Proxy Node representation. Its core innovation lies in representing an object's shape and texture via a sparse set of hierarchically organized (tree-structured) proxy nodes distributed on its surface and interior. Each node stores local shape and texture information (implicitly encoded by a small MLP) within its neighborhood. Querying any 3D coordinate's properties involves efficient neural interpolation and lightweight decoding from relevant nearby and parent nodes. This framework yields a highly compact representation where nodes align with local semantics, enabling direct drag-and-edit manipulation, and offers scalable quality-complexity control. Extensive experiments across 3D reconstruction and editing demonstrate our method's expressive efficiency, high-fidelity rendering quality, and superior editability.

  • 7 authors
·
Jul 16

ToonCrafter: Generative Cartoon Interpolation

We introduce ToonCrafter, a novel approach that transcends traditional correspondence-based cartoon video interpolation, paving the way for generative interpolation. Traditional methods, that implicitly assume linear motion and the absence of complicated phenomena like dis-occlusion, often struggle with the exaggerated non-linear and large motions with occlusion commonly found in cartoons, resulting in implausible or even failed interpolation results. To overcome these limitations, we explore the potential of adapting live-action video priors to better suit cartoon interpolation within a generative framework. ToonCrafter effectively addresses the challenges faced when applying live-action video motion priors to generative cartoon interpolation. First, we design a toon rectification learning strategy that seamlessly adapts live-action video priors to the cartoon domain, resolving the domain gap and content leakage issues. Next, we introduce a dual-reference-based 3D decoder to compensate for lost details due to the highly compressed latent prior spaces, ensuring the preservation of fine details in interpolation results. Finally, we design a flexible sketch encoder that empowers users with interactive control over the interpolation results. Experimental results demonstrate that our proposed method not only produces visually convincing and more natural dynamics, but also effectively handles dis-occlusion. The comparative evaluation demonstrates the notable superiority of our approach over existing competitors.

  • 7 authors
·
May 28, 2024

AutoNumerics-Zero: Automated Discovery of State-of-the-Art Mathematical Functions

Computers calculate transcendental functions by approximating them through the composition of a few limited-precision instructions. For example, an exponential can be calculated with a Taylor series. These approximation methods were developed over the centuries by mathematicians, who emphasized the attainability of arbitrary precision. Computers, however, operate on few limited precision types, such as the popular float32. In this study, we show that when aiming for limited precision, existing approximation methods can be outperformed by programs automatically discovered from scratch by a simple evolutionary algorithm. In particular, over real numbers, our method can approximate the exponential function reaching orders of magnitude more precision for a given number of operations when compared to previous approaches. More practically, over float32 numbers and constrained to less than 1 ULP of error, the same method attains a speedup over baselines by generating code that triggers better XLA/LLVM compilation paths. In other words, in both cases, evolution searched a vast space of possible programs, without knowledge of mathematics, to discover previously unknown optimized approximations to high precision, for the first time. We also give evidence that these results extend beyond the exponential. The ubiquity of transcendental functions suggests that our method has the potential to reduce the cost of scientific computing applications.

  • 10 authors
·
Dec 13, 2023

Clearer Frames, Anytime: Resolving Velocity Ambiguity in Video Frame Interpolation

Existing video frame interpolation (VFI) methods blindly predict where each object is at a specific timestep t ("time indexing"), which struggles to predict precise object movements. Given two images of a baseball, there are infinitely many possible trajectories: accelerating or decelerating, straight or curved. This often results in blurry frames as the method averages out these possibilities. Instead of forcing the network to learn this complicated time-to-location mapping implicitly together with predicting the frames, we provide the network with an explicit hint on how far the object has traveled between start and end frames, a novel approach termed "distance indexing". This method offers a clearer learning goal for models, reducing the uncertainty tied to object speeds. We further observed that, even with this extra guidance, objects can still be blurry especially when they are equally far from both input frames (i.e., halfway in-between), due to the directional ambiguity in long-range motion. To solve this, we propose an iterative reference-based estimation strategy that breaks down a long-range prediction into several short-range steps. When integrating our plug-and-play strategies into state-of-the-art learning-based models, they exhibit markedly sharper outputs and superior perceptual quality in arbitrary time interpolations, using a uniform distance indexing map in the same format as time indexing. Additionally, distance indexing can be specified pixel-wise, which enables temporal manipulation of each object independently, offering a novel tool for video editing tasks like re-timing.

  • 6 authors
·
Nov 14, 2023 1

NeuRBF: A Neural Fields Representation with Adaptive Radial Basis Functions

We present a novel type of neural fields that uses general radial bases for signal representation. State-of-the-art neural fields typically rely on grid-based representations for storing local neural features and N-dimensional linear kernels for interpolating features at continuous query points. The spatial positions of their neural features are fixed on grid nodes and cannot well adapt to target signals. Our method instead builds upon general radial bases with flexible kernel position and shape, which have higher spatial adaptivity and can more closely fit target signals. To further improve the channel-wise capacity of radial basis functions, we propose to compose them with multi-frequency sinusoid functions. This technique extends a radial basis to multiple Fourier radial bases of different frequency bands without requiring extra parameters, facilitating the representation of details. Moreover, by marrying adaptive radial bases with grid-based ones, our hybrid combination inherits both adaptivity and interpolation smoothness. We carefully designed weighting schemes to let radial bases adapt to different types of signals effectively. Our experiments on 2D image and 3D signed distance field representation demonstrate the higher accuracy and compactness of our method than prior arts. When applied to neural radiance field reconstruction, our method achieves state-of-the-art rendering quality, with small model size and comparable training speed.

  • 7 authors
·
Sep 27, 2023 2

HNeRV: A Hybrid Neural Representation for Videos

Implicit neural representations store videos as neural networks and have performed well for various vision tasks such as video compression and denoising. With frame index or positional index as input, implicit representations (NeRV, E-NeRV, \etc) reconstruct video from fixed and content-agnostic embeddings. Such embedding largely limits the regression capacity and internal generalization for video interpolation. In this paper, we propose a Hybrid Neural Representation for Videos (HNeRV), where a learnable encoder generates content-adaptive embeddings, which act as the decoder input. Besides the input embedding, we introduce HNeRV blocks, which ensure model parameters are evenly distributed across the entire network, such that higher layers (layers near the output) can have more capacity to store high-resolution content and video details. With content-adaptive embeddings and re-designed architecture, HNeRV outperforms implicit methods in video regression tasks for both reconstruction quality (+4.7 PSNR) and convergence speed (16times faster), and shows better internal generalization. As a simple and efficient video representation, HNeRV also shows decoding advantages for speed, flexibility, and deployment, compared to traditional codecs~(H.264, H.265) and learning-based compression methods. Finally, we explore the effectiveness of HNeRV on downstream tasks such as video compression and video inpainting. We provide project page at https://haochen-rye.github.io/HNeRV, and Code at https://github.com/haochen-rye/HNeRV

  • 4 authors
·
Apr 5, 2023

Gumbel-Softmax Flow Matching with Straight-Through Guidance for Controllable Biological Sequence Generation

Flow matching in the continuous simplex has emerged as a promising strategy for DNA sequence design, but struggles to scale to higher simplex dimensions required for peptide and protein generation. We introduce Gumbel-Softmax Flow and Score Matching, a generative framework on the simplex based on a novel Gumbel-Softmax interpolant with a time-dependent temperature. Using this interpolant, we introduce Gumbel-Softmax Flow Matching by deriving a parameterized velocity field that transports from smooth categorical distributions to distributions concentrated at a single vertex of the simplex. We alternatively present Gumbel-Softmax Score Matching which learns to regress the gradient of the probability density. Our framework enables high-quality, diverse generation and scales efficiently to higher-dimensional simplices. To enable training-free guidance, we propose Straight-Through Guided Flows (STGFlow), a classifier-based guidance method that leverages straight-through estimators to steer the unconditional velocity field toward optimal vertices of the simplex. STGFlow enables efficient inference-time guidance using classifiers pre-trained on clean sequences, and can be used with any discrete flow method. Together, these components form a robust framework for controllable de novo sequence generation. We demonstrate state-of-the-art performance in conditional DNA promoter design, sequence-only protein generation, and target-binding peptide design for rare disease treatment.

  • 4 authors
·
Mar 21 2

OReX: Object Reconstruction from Planar Cross-sections Using Neural Fields

Reconstructing 3D shapes from planar cross-sections is a challenge inspired by downstream applications like medical imaging and geographic informatics. The input is an in/out indicator function fully defined on a sparse collection of planes in space, and the output is an interpolation of the indicator function to the entire volume. Previous works addressing this sparse and ill-posed problem either produce low quality results, or rely on additional priors such as target topology, appearance information, or input normal directions. In this paper, we present OReX, a method for 3D shape reconstruction from slices alone, featuring a Neural Field as the interpolation prior. A modest neural network is trained on the input planes to return an inside/outside estimate for a given 3D coordinate, yielding a powerful prior that induces smoothness and self-similarities. The main challenge for this approach is high-frequency details, as the neural prior is overly smoothing. To alleviate this, we offer an iterative estimation architecture and a hierarchical input sampling scheme that encourage coarse-to-fine training, allowing the training process to focus on high frequencies at later stages. In addition, we identify and analyze a ripple-like effect stemming from the mesh extraction step. We mitigate it by regularizing the spatial gradients of the indicator function around input in/out boundaries during network training, tackling the problem at the root. Through extensive qualitative and quantitative experimentation, we demonstrate our method is robust, accurate, and scales well with the size of the input. We report state-of-the-art results compared to previous approaches and recent potential solutions, and demonstrate the benefit of our individual contributions through analysis and ablation studies.

  • 3 authors
·
Nov 23, 2022

Deep Geometrized Cartoon Line Inbetweening

We aim to address a significant but understudied problem in the anime industry, namely the inbetweening of cartoon line drawings. Inbetweening involves generating intermediate frames between two black-and-white line drawings and is a time-consuming and expensive process that can benefit from automation. However, existing frame interpolation methods that rely on matching and warping whole raster images are unsuitable for line inbetweening and often produce blurring artifacts that damage the intricate line structures. To preserve the precision and detail of the line drawings, we propose a new approach, AnimeInbet, which geometrizes raster line drawings into graphs of endpoints and reframes the inbetweening task as a graph fusion problem with vertex repositioning. Our method can effectively capture the sparsity and unique structure of line drawings while preserving the details during inbetweening. This is made possible via our novel modules, i.e., vertex geometric embedding, a vertex correspondence Transformer, an effective mechanism for vertex repositioning and a visibility predictor. To train our method, we introduce MixamoLine240, a new dataset of line drawings with ground truth vectorization and matching labels. Our experiments demonstrate that AnimeInbet synthesizes high-quality, clean, and complete intermediate line drawings, outperforming existing methods quantitatively and qualitatively, especially in cases with large motions. Data and code are available at https://github.com/lisiyao21/AnimeInbet.

  • 6 authors
·
Sep 28, 2023

HyperInterval: Hypernetwork approach to training weight interval regions in continual learning

Recently, a new Continual Learning (CL) paradigm was presented to control catastrophic forgetting, called Interval Continual Learning (InterContiNet), which relies on enforcing interval constraints on the neural network parameter space. Unfortunately, InterContiNet training is challenging due to the high dimensionality of the weight space, making intervals difficult to manage. To address this issue, we introduce HyperInterval, a technique that employs interval arithmetic within the embedding space and utilizes a hypernetwork to map these intervals to the target network parameter space. We train interval embeddings for consecutive tasks and train a hypernetwork to transform these embeddings into weights of the target network. An embedding for a given task is trained along with the hypernetwork, preserving the response of the target network for the previous task embeddings. Interval arithmetic works with a more manageable, lower-dimensional embedding space rather than directly preparing intervals in a high-dimensional weight space. Our model allows faster and more efficient training. Furthermore, HyperInterval maintains the guarantee of not forgetting. At the end of training, we can choose one universal embedding to produce a single network dedicated to all tasks. In such a framework, hypernetwork is used only for training and can be seen as a meta-trainer. HyperInterval obtains significantly better results than InterContiNet and gives SOTA results on several benchmarks.

  • 6 authors
·
May 24, 2024

MoSt-DSA: Modeling Motion and Structural Interactions for Direct Multi-Frame Interpolation in DSA Images

Artificial intelligence has become a crucial tool for medical image analysis. As an advanced cerebral angiography technique, Digital Subtraction Angiography (DSA) poses a challenge where the radiation dose to humans is proportional to the image count. By reducing images and using AI interpolation instead, the radiation can be cut significantly. However, DSA images present more complex motion and structural features than natural scenes, making interpolation more challenging. We propose MoSt-DSA, the first work that uses deep learning for DSA frame interpolation. Unlike natural scene Video Frame Interpolation (VFI) methods that extract unclear or coarse-grained features, we devise a general module that models motion and structural context interactions between frames in an efficient full convolution manner by adjusting optimal context range and transforming contexts into linear functions. Benefiting from this, MoSt-DSA is also the first method that directly achieves any number of interpolations at any time steps with just one forward pass during both training and testing. We conduct extensive comparisons with 7 representative VFI models for interpolating 1 to 3 frames, MoSt-DSA demonstrates robust results across 470 DSA image sequences (each typically 152 images), with average SSIM over 0.93, average PSNR over 38 (standard deviations of less than 0.030 and 3.6, respectively), comprehensively achieving state-of-the-art performance in accuracy, speed, visual effect, and memory usage. Our code is available at https://github.com/ZyoungXu/MoSt-DSA.

  • 6 authors
·
Jul 9, 2024

Instruction-based Time Series Editing

In time series editing, we aim to modify some properties of a given time series without altering others. For example, when analyzing a hospital patient's blood pressure, we may add a sudden early drop and observe how it impacts their future while preserving other conditions. Existing diffusion-based editors rely on rigid, predefined attribute vectors as conditions and produce all-or-nothing edits through sampling. This attribute- and sampling-based approach limits flexibility in condition format and lacks customizable control over editing strength. To overcome these limitations, we introduce Instruction-based Time Series Editing, where users specify intended edits using natural language. This allows users to express a wider range of edits in a more accessible format. We then introduce InstructTime, the first instruction-based time series editor. InstructTime takes in time series and instructions, embeds them into a shared multi-modal representation space, then decodes their embeddings to generate edited time series. By learning a structured multi-modal representation space, we can easily interpolate between embeddings to achieve varying degrees of edit. To handle local and global edits together, we propose multi-resolution encoders. In our experiments, we use synthetic and real datasets and find that InstructTime is a state-of-the-art time series editor: InstructTime achieves high-quality edits with controllable strength, can generalize to unseen instructions, and can be easily adapted to unseen conditions through few-shot learning.

  • 5 authors
·
Aug 2

SNIP: Bridging Mathematical Symbolic and Numeric Realms with Unified Pre-training

In an era where symbolic mathematical equations are indispensable for modeling complex natural phenomena, scientific inquiry often involves collecting observations and translating them into mathematical expressions. Recently, deep learning has emerged as a powerful tool for extracting insights from data. However, existing models typically specialize in either numeric or symbolic domains, and are usually trained in a supervised manner tailored to specific tasks. This approach neglects the substantial benefits that could arise from a task-agnostic unified understanding between symbolic equations and their numeric counterparts. To bridge the gap, we introduce SNIP, a Symbolic-Numeric Integrated Pre-training, which employs joint contrastive learning between symbolic and numeric domains, enhancing their mutual similarities in the pre-trained embeddings. By performing latent space analysis, we observe that SNIP provides cross-domain insights into the representations, revealing that symbolic supervision enhances the embeddings of numeric data and vice versa. We evaluate SNIP across diverse tasks, including symbolic-to-numeric mathematical property prediction and numeric-to-symbolic equation discovery, commonly known as symbolic regression. Results show that SNIP effectively transfers to various tasks, consistently outperforming fully supervised baselines and competing strongly with established task-specific methods, especially in few-shot learning scenarios where available data is limited.

  • 4 authors
·
Oct 3, 2023

Multi-marginal Schrödinger Bridges with Iterative Reference Refinement

Practitioners frequently aim to infer an unobserved population trajectory using sample snapshots at multiple time points. For instance, in single-cell sequencing, scientists would like to learn how gene expression evolves over time. But sequencing any cell destroys that cell. So we cannot access any cell's full trajectory, but we can access snapshot samples from many cells. Stochastic differential equations are commonly used to analyze systems with full individual-trajectory access; since here we have only sample snapshots, these methods are inapplicable. The deep learning community has recently explored using Schr\"odinger bridges (SBs) and their extensions to estimate these dynamics. However, these methods either (1) interpolate between just two time points or (2) require a single fixed reference dynamic within the SB, which is often just set to be Brownian motion. But learning piecewise from adjacent time points can fail to capture long-term dependencies. And practitioners are typically able to specify a model class for the reference dynamic but not the exact values of the parameters within it. So we propose a new method that (1) learns the unobserved trajectories from sample snapshots across multiple time points and (2) requires specification only of a class of reference dynamics, not a single fixed one. In particular, we suggest an iterative projection method inspired by Schr\"odinger bridges; we alternate between learning a piecewise SB on the unobserved trajectories and using the learned SB to refine our best guess for the dynamics within the reference class. We demonstrate the advantages of our method via a well-known simulated parametric model from ecology, simulated and real data from systems biology, and real motion-capture data.

  • 3 authors
·
Aug 12, 2024

Principled Approaches for Extending Neural Architectures to Function Spaces for Operator Learning

A wide range of scientific problems, such as those described by continuous-time dynamical systems and partial differential equations (PDEs), are naturally formulated on function spaces. While function spaces are typically infinite-dimensional, deep learning has predominantly advanced through applications in computer vision and natural language processing that focus on mappings between finite-dimensional spaces. Such fundamental disparities in the nature of the data have limited neural networks from achieving a comparable level of success in scientific applications as seen in other fields. Neural operators are a principled way to generalize neural networks to mappings between function spaces, offering a pathway to replicate deep learning's transformative impact on scientific problems. For instance, neural operators can learn solution operators for entire classes of PDEs, e.g., physical systems with different boundary conditions, coefficient functions, and geometries. A key factor in deep learning's success has been the careful engineering of neural architectures through extensive empirical testing. Translating these neural architectures into neural operators allows operator learning to enjoy these same empirical optimizations. However, prior neural operator architectures have often been introduced as standalone models, not directly derived as extensions of existing neural network architectures. In this paper, we identify and distill the key principles for constructing practical implementations of mappings between infinite-dimensional function spaces. Using these principles, we propose a recipe for converting several popular neural architectures into neural operators with minimal modifications. This paper aims to guide practitioners through this process and details the steps to make neural operators work in practice. Our code can be found at https://github.com/neuraloperator/NNs-to-NOs

  • 7 authors
·
Jun 12

Identifying Representations for Intervention Extrapolation

The premise of identifiable and causal representation learning is to improve the current representation learning paradigm in terms of generalizability or robustness. Despite recent progress in questions of identifiability, more theoretical results demonstrating concrete advantages of these methods for downstream tasks are needed. In this paper, we consider the task of intervention extrapolation: predicting how interventions affect an outcome, even when those interventions are not observed at training time, and show that identifiable representations can provide an effective solution to this task even if the interventions affect the outcome non-linearly. Our setup includes an outcome Y, observed features X, which are generated as a non-linear transformation of latent features Z, and exogenous action variables A, which influence Z. The objective of intervention extrapolation is to predict how interventions on A that lie outside the training support of A affect Y. Here, extrapolation becomes possible if the effect of A on Z is linear and the residual when regressing Z on A has full support. As Z is latent, we combine the task of intervention extrapolation with identifiable representation learning, which we call Rep4Ex: we aim to map the observed features X into a subspace that allows for non-linear extrapolation in A. We show that the hidden representation is identifiable up to an affine transformation in Z-space, which is sufficient for intervention extrapolation. The identifiability is characterized by a novel constraint describing the linearity assumption of A on Z. Based on this insight, we propose a method that enforces the linear invariance constraint and can be combined with any type of autoencoder. We validate our theoretical findings through synthetic experiments and show that our approach succeeds in predicting the effects of unseen interventions.

  • 5 authors
·
Oct 6, 2023

Frame Interpolation with Consecutive Brownian Bridge Diffusion

Recent work in Video Frame Interpolation (VFI) tries to formulate VFI as a diffusion-based conditional image generation problem, synthesizing the intermediate frame given a random noise and neighboring frames. Due to the relatively high resolution of videos, Latent Diffusion Models (LDMs) are employed as the conditional generation model, where the autoencoder compresses images into latent representations for diffusion and then reconstructs images from these latent representations. Such a formulation poses a crucial challenge: VFI expects that the output is deterministically equal to the ground truth intermediate frame, but LDMs randomly generate a diverse set of different images when the model runs multiple times. The reason for the diverse generation is that the cumulative variance (variance accumulated at each step of generation) of generated latent representations in LDMs is large. This makes the sampling trajectory random, resulting in diverse rather than deterministic generations. To address this problem, we propose our unique solution: Frame Interpolation with Consecutive Brownian Bridge Diffusion. Specifically, we propose consecutive Brownian Bridge diffusion that takes a deterministic initial value as input, resulting in a much smaller cumulative variance of generated latent representations. Our experiments suggest that our method can improve together with the improvement of the autoencoder and achieve state-of-the-art performance in VFI, leaving strong potential for further enhancement.

  • 4 authors
·
May 9, 2024

TopNet: Transformer-based Object Placement Network for Image Compositing

We investigate the problem of automatically placing an object into a background image for image compositing. Given a background image and a segmented object, the goal is to train a model to predict plausible placements (location and scale) of the object for compositing. The quality of the composite image highly depends on the predicted location/scale. Existing works either generate candidate bounding boxes or apply sliding-window search using global representations from background and object images, which fail to model local information in background images. However, local clues in background images are important to determine the compatibility of placing the objects with certain locations/scales. In this paper, we propose to learn the correlation between object features and all local background features with a transformer module so that detailed information can be provided on all possible location/scale configurations. A sparse contrastive loss is further proposed to train our model with sparse supervision. Our new formulation generates a 3D heatmap indicating the plausibility of all location/scale combinations in one network forward pass, which is over 10 times faster than the previous sliding-window method. It also supports interactive search when users provide a pre-defined location or scale. The proposed method can be trained with explicit annotation or in a self-supervised manner using an off-the-shelf inpainting model, and it outperforms state-of-the-art methods significantly. The user study shows that the trained model generalizes well to real-world images with diverse challenging scenes and object categories.

  • 6 authors
·
Apr 6, 2023