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Deep Learning · Generative Models and Autoencoders

Sherwin Bahmani, Ivan Skorokhodov, Aliaksandr Siarohin, Willi Menapace, Guocheng Qian, Michael Vasilkovsky, Hsin-Ying Lee, Chaoyang Wang, Jiaxu Zou, Andrea Tagliasacchi 等

Modern text-to-video synthesis models demonstrate coherent, photorealistic generation of complex videos from a text description. However, most existing models lack fine-grained control over camera movement, which is critical for downstream applications related to content creation, visual effects, and 3D vision. Recently, new methods demonstrate the ability to generate videos with controllable camera poses---these techniques leverage pre-trained U-Net-based diffusion models that explicitly disentangle spatial and temporal generation. Still, no existing approach enables camera control for new, transformer-based video diffusion models that process spatial and temporal information jointly. Here, we propose to tame video transformers for 3D camera control using a ControlNet-like conditioning mechanism that incorporates spatiotemporal camera embeddings based on Plucker coordinates. The approach demonstrates state-of-the-art performance for controllable video generation after fine-tuning on the RealEstate10K dataset. To the best of our knowledge, our work is the first to enable camera control for transformer-based video diffusion models.

Applications · Computer Vision

Peiye Zhuang, Songfang Han, Chaoyang Wang, Aliaksandr Siarohin, Jiaxu Zou, Michael Vasilkovsky, Vladislav Shakhrai, Sergei Korolev, Sergey Tulyakov, Hsin-Ying Lee

We propose a novel approach for 3D mesh reconstruction from multi-view images. We improve upon the large reconstruction model LRM that use a transformer-based triplane generator and a Neural Radiance Field (NeRF) model trained on multi-view images. We introduce three key components to significantly enhance the 3D reconstruction quality. First of all, we examine the original LRM architecture and find several shortcomings. Subsequently, we introduce respective modifications to the LRM architecture, which lead to improved multi-view image representation and more computationally efficient training. Second, in order to improve geometry reconstruction and enable supervision at full image resolution, we extract meshes from the NeRF in a differentiable manner and fine-tune the NeRF model through mesh rendering. These modifications allow us to achieve state-of-the-art performance on both 2D and 3D evaluation metrics on Google Scanned Objects (GSO) dataset and OmniObject3D dataset. Finally, we introduce a lightweight per-instance texture refinement procedure to better reconstruct complex textures, such as text and portraits on assets. To address this, we introduce a lightweight per-instance texture refinement procedure. This procedure fine-tunes the triplane representation and the NeRF's color estimation model on the mesh surface using the input multi-view images in just 4 seconds. This refinement achieves faithful reconstruction of complex textures. Additionally, our approach enables various downstream applications, including text/image-to-3D generation.

Han Li, Shaohui Li, Wenrui Dai, Maida Cao, Nuowen Kan, Chenglin Li, Junni Zou, Hongkai Xiong

Learned image compression (LIC) has demonstrated superior rate-distortion (R-D) performance compared to traditional codecs, but is challenged by training inefficiency that could incur more than two weeks to train a state-of-the-art model from scratch. Existing LIC methods overlook the slow convergence caused by compacting energy in learning nonlinear transforms. In this paper, we first reveal that such energy compaction consists of two components, \emph{i.e.}, feature decorrelation and uneven energy modulation. On such basis, we propose a linear auxiliary transform (AuxT) to disentangle energy compaction in training nonlinear transforms. The proposed AuxT obtains coarse approximation to achieve efficient energy compaction such that distribution fitting with the nonlinear transforms can be simplified to fine details. We then develop wavelet-based linear shortcuts (WLSs) for AuxT that leverages wavelet-based downsampling and orthogonal linear projection for feature decorrelation and subband-aware scaling for uneven energy modulation. AuxT is lightweight and plug-and-play to be integrated into diverse LIC models to address the slow convergence issue. Experimental results demonstrate that the proposed approach can accelerate training of LIC models by 2 times and simultaneously achieves an average 1\% BD-rate reduction. To our best knowledge, this is one of the first successful attempt that can significantly improve the convergence of LIC with comparable or superior rate-distortion performance.

Deep Learning · Large Language Models

Mehul Damani, Idan Shenfeld, Andi Peng, Andreea Bobu, Jacob Andreas

Computationally intensive decoding procedures---including search, reranking, and self-critique---can improve the quality of language model (LM) outputs in problems spanning code generation, numerical reasoning, and dialog.Existing work typically applies the same decoding procedure for every input to an LM. But not all inputs require the same amount of computation to process. Can we allocate decoding computation adaptively, using more resources to answer questions whose answers will be harder to compute? We present an approach that predicts the distribution of rewards given an input and computation budget, then allocates additional computation to inputs for which it is predicted to be most useful. We apply this approach in two decoding procedures: first, an adaptive best-of-$k$ procedure that dynamically selects the number of samples to generate as input to a reranker; second, a routing procedure that dynamically responds to a query using a decoding procedure that is expensive but accurate, or one that is cheaper but less capable. Across a suite of programming, mathematics, and dialog tasks, we show that accurate computation-allocation procedures can be learned, and reduce computation by up to 50% at no cost to quality.

Deep Learning · Generative Models and Autoencoders

Shivam Gupta, Linda Cai, Sitan Chen

Sampling algorithms play an important role in controlling the quality and runtime of diffusion model inference. In recent years, a number of works (Chen et al., 2023c;b; Benton et al., 2023; Lee et al., 2022) have analyzed algorithms for diffusion sampling with provable guarantees; these works show that for essentially any data distribution, one can approximately sample in polynomial time given a sufficiently accurate estimate of its score functions at different noise levels. In this work, we propose a new scheme inspired by Shen and Lee's randomized midpoint method for log-concave sampling (Shen & Lee, 2019). We prove that this approach achieves the best known dimension dependence for sampling from arbitrary smooth distributions in total variation distance ($\widetilde O(d^{5/12})$ compared to $\widetilde O(\sqrt{d})$ from prior work). We also show that our algorithm can be parallelized to run in only $\widetilde O(\log^2 d)$ parallel rounds, constituting the first provable guarantees for parallel sampling with diffusion models. As a byproduct of our methods, for the well-studied problem of log-concave sampling in total variation distance, we give an algorithm and simple analysis achieving dimension dependence $\widetilde O(d^{5/12})$ compared to $\widetilde O(\sqrt{d})$ from prior work.

Reinforcement Learning · Everything Else

Alonso Granados, Mohammadreza Ebrahimi, Jason Pacheco

Risk-sensitive reinforcement learning (RL) with an entropic risk measure typically requires knowledge of the transition kernel or performs unstable updates w.r.t. exponential Bellman equations. As a consequence, algorithms that optimize this objective have been restricted to tabular or low-dimensional continuous environments. In this work we leverage the connection between the entropic risk measure and the RL-as-inference framework to develop a risk-sensitive variational actor-critic algorithm (rsVAC). Our work extends the variational framework to incorporate stochastic rewards and proposes a variational model-based actor-critic approach that modulates policy risk via a risk parameter. We consider, both, the risk-seeking and risk-averse regimes and present rsVAC learning variants for each setting. Our experiments demonstrate that this approach produces risk-sensitive policies and yields improvements in both tabular and risk-aware variants of complex continuous control tasks in MuJoCo.

Applications · Computer Vision

Qihang Zhang, Yinghao Xu, Chaoyang Wang, Hsin-Ying Lee, Gordon Wetzstein, Bolei Zhou, Ceyuan Yang

Scene image editing is crucial for entertainment, photography, and advertising design. Existing methods solely focus on either 2D individual object or 3D global scene editing. This results in a lack of a unified approach to effectively control and manipulate scenes at the 3D level with different levels of granularity. In this work, we propose 3DitScene, a novel and unified scene editing framework leveraging language-guided disentangled Gaussian Splatting that enables seamless editing from 2D to 3D, allowing precise control over scene composition and individual objects. We first incorporate 3D Gaussians that are refined through generative priors and optimization techniques. Language features from CLIP then introduce semantics into 3D geometry for object disentanglement. With the disentangled Gaussians, 3DitScene allows for manipulation at both the global and individual levels, revolutionizing creative expression and empowering control over scenes and objects. Experimental results demonstrate the effectiveness and versatility of 3DitScene in scene image editing.

Deep Learning · Generative Models and Autoencoders

Mihaela Stoian, Eleonora Giunchiglia

Synthetic tabular data generation has traditionally been a challenging problem due to the high complexity of the underlying distributions that characterise this type of data. Despite recent advances in deep generative models (DGMs), existing methods often fail to produce realistic datapoints that are well-aligned with available background knowledge.In this paper, we address this limitation by introducing Disjunctive Refinement Layer (DRL), a novel layer designedto enforce the alignment of generated data with the background knowledge specified in user-defined constraints.DRL is the first method able to automatically make deep learning models inherently compliant with constraints as expressive as quantifier-free linear formulas, which can define non-convex and even disconnected spaces. Our experimental analysis shows that DRL not only guarantees constraint satisfaction but also improves efficacy in downstream tasks. Notably, when applied to DGMs that frequently violate constraints, DRL eliminates violations entirely. Further, it improves performance metrics by up to 21.4\% in F1-score and 20.9\% in Area Under the ROC Curve, thus demonstrating its practical impact on data generation.

Applications · Chemistry and Drug Discovery

Kangjie Zheng, Siyue Liang, Junwei Yang, Bin Feng, Zequn Liu, Wei Ju, Zhiping Xiao, Ming Zhang

SMILES, a crucial textual representation of molecular structures, has garnered significant attention as a foundation for pre-trained language models (LMs). However, most existing pre-trained SMILES LMs focus solely on the single-token level supervision during pre-training, failing to fully leverage the substructural information of molecules. This limitation makes the pre-training task overly simplistic, preventing the models from capturing richer molecular semantic information. Moreover, during pre-training, these SMILES LMs only process corrupted SMILES inputs, never encountering any valid SMILES, which leads to a train-inference mismatch. To address these challenges, we propose SMI-Editor, a novel edit-based pre-trained SMILES LM. SMI-Editor disrupts substructures within a molecule at random and feeds the resulting SMILES back into the model, which then attempts to restore the original SMILES through an editing process. This approach not only introduces fragment-level training signals, but also enables the use of valid SMILES as inputs, allowing the model to learn how to reconstruct complete molecules from these incomplete structures. As a result, the model demonstrates improved scalability and an enhanced ability to capture fragment-level molecular information. Experimental results show that SMI-Editor achieves state-of-the-art performance across multiple downstream molecular tasks, and even outperforming several 3D molecular representation models.

Probabilistic Methods · Variational Inference

Caleb Dahlke, Jason Pacheco

Mutual Information (MI) is a fundamental measure of dependence between random variables, but its practical application is limited because it is difficult to calculate in many circumstances. Variational methods offer one approach by introducing an approximate distribution to create various bounds on MI, which in turn is an easier optimization problem to solve. In practice, the variational distribution chosen is often a Gaussian, which is convenient but lacks flexibility in modeling complicated distributions. In this paper, we introduce new classes of variational estimators based on Normalizing Flows that extend the previous Gaussian-based variational estimators. Our new estimators maintain many of the same theoretical guarantees while simultaneously enhancing the expressivity of the variational distribution. We experimentally verify that our new methods are effective on large MI problems where discriminative-based estimators, such as MINE and InfoNCE, are fundamentally limited. Furthermore, we compare against a diverse set of benchmarking tests to show that the flow-based estimators often perform as well, if not better, than the discriminative-based counterparts. Finally, we demonstrate how these estimators can be effectively utilized in the Bayesian Optimal Experimental Design setting for online sequential decision making.

Miscellaneous Aspects of Machine Learning · Transfer, Multitask and Meta-learning

Zhekai Du, Yinjie Min, Jingjing Li, Ke Lu, Changliang Zou, Liuhua Peng, Tingjin Chu, Mingming Gong

Low-rank adaptation (LoRA) has become a prevalent method for adapting pre-trained large language models to downstream tasks. However, the simple low-rank decomposition form may constrain the optimization flexibility. To address this limitation, we introduce Location-aware Cosine Adaptation (LoCA), a novel frequency-domain parameter-efficient fine-tuning method based on inverse Discrete Cosine Transform (iDCT) with selective locations of learnable components. We begin with a comprehensive theoretical comparison between frequency-domain and low-rank decompositions for fine-tuning pre-trained large models. Our analysis reveals that frequency-domain approximation with carefully selected frequency components can surpass the expressivity of traditional low-rank-based methods. Furthermore, we demonstrate that iDCT offers a more efficient implementation compared to inverse Discrete Fourier Transform (iDFT), allowing for better selection and tuning of frequency components while maintaining equivalent expressivity to the optimal iDFT-based adaptation. By employing finite-difference approximation to estimate gradients for discrete locations of learnable coefficients on the DCT spectrum, LoCA dynamically selects the most informative frequency components during training. Experiments on diverse language and vision fine-tuning tasks demonstrate that LoCA offers enhanced parameter efficiency while maintains computational feasibility comparable to low-rank-based methods.

Applications · Everything Else

Beichen Li, Rundi Wu, Armando Solar-Lezama, Changxi Zheng, Liang Shi, Bernd Bickel, Wojciech Matusik

Procedural materials, represented as functional node graphs, are ubiquitous in computer graphics for photorealistic material appearance design. They allow users to perform intuitive and precise editing to achieve desired visual appearances. However, creating a procedural material given an input image requires professional knowledge and significant effort. In this work, we leverage the ability to convert procedural materials into standard Python programs and fine-tune a large pre-trained vision-language model (VLM) to generate such programs from input images. To enable effective fine-tuning, we also contribute an open-source procedural material dataset and propose to perform program-level augmentation by prompting another pre-trained large language model (LLM). Through extensive evaluation, we show that our method outperforms previous methods on both synthetic and real-world examples.

Applications · Computer Vision

Mingyang Zhao, Gaofeng Meng, Dong-ming Yan

Non-rigid alignment of point clouds is crucial for scene understanding, reconstruction, and various computer vision and robotics tasks. Recent advancements in implicit deformation networks for non-rigid registration have significantly reduced the reliance on large amounts of annotated training data. However, existing state-of-the-art methods still face challenges in handling occlusion scenarios. To address this issue, this paper introduces an innovative unsupervised method called Occlusion-Aware Registration (OAR) for non-rigidly aligning point clouds. The key innovation of our method lies in the utilization of the adaptive correntropy function as a localized similarity measure, enabling us to treat individual points distinctly. In contrast to previous approaches that solely minimize overall deviations between two shapes, we combine unsupervised implicit neural representations with the maximum correntropy criterion to optimize the deformation of unoccluded regions. This effectively avoids collapsed, tearing, and other physically implausible results. Moreover, we present a theoretical analysis and establish the relationship between the maximum correntropy criterion and the commonly used Chamfer distance, highlighting that the correntropy-induced metric can be served as a more universal measure for point cloud analysis. Additionally, we introducelocally linear reconstruction to ensure that regions lacking correspondences between shapes still undergo physically natural deformations. Our method achieves superior or competitive performance compared to existing approaches, particularly when dealing with occluded geometries. We also demonstrate the versatility of our method in challenging tasks such as large deformations, shape interpolation, and shape completion under occlusion disturbances.

Miscellaneous Aspects of Machine Learning · Sequential, Network, and Time Series Modeling

Junxi Wu, Dongjian Hu, Yajie Bao, Shu-Tao Xia, Changliang Zou

Uncertainty quantification in time series prediction is challenging due to the temporal dependence and distribution shift on sequential data. Conformal prediction provides a pivotal and flexible instrument for assessing the uncertainty of machine learning models through prediction sets. Recently, a series of online conformal inference methods updated thresholds of prediction sets by performing online gradient descent on a sequence of quantile loss functions. A drawback of such methods is that they only use the information of revealed non-conformity scores via miscoverage indicators but ignore error quantification, namely the distance between the non-conformity score and the current threshold. To accurately leverage the dynamic of miscoverage error, we propose Error-quantified Conformal Inference (ECI) by smoothing the quantile loss function. ECI introduces a continuous and adaptive feedback scale with the miscoverage error, rather than simple binary feedback in existing methods. We establish a long-term coverage guarantee for ECI under arbitrary dependence and distribution shift. The extensive experimental results show that ECI can achieve valid miscoverage control and output tighter prediction sets than other baselines.

Probabilistic Methods · Everything Else

Xiaoyang Wu, Lin Lu, Zhaojun Wang, Changliang Zou

In this paper, we address conditional testing problems through the conformal inference framework. We define the localized conformal $p$-values by inverting prediction intervals and prove their theoretical properties. These defined $p$-values are then applied to several conditional testing problems to illustrate their practicality. Firstly, we propose a conditional outlier detection procedure to test for outliers in the conditional distribution with finite-sample false discovery rate (FDR) control. We also introduce a novel conditional label screening problem with the goal of screening multivariate response variables and propose a screening procedure to control the family-wise error rate (FWER). Finally, we consider the two-sample conditional distribution test and define a weighted U-statistic through the aggregation of localized $p$-values. Numerical simulations and real-data examples validate the superior performance of our proposed strategies.

Theory · Domain Adaptation and Transfer Learning

Xue Han, Yitong Wang, Junlan Feng, wenchun.gao, Qian Hu, Chao Deng

Large-scale pre-trained language models (PLMs) require significant computational resources to train from scratch on large volumes of data. But in the real world, emerging data from diverse sources may not be initially available for pre-training. Recent studies on lifelong learning have tried to solve this problem by exploring the use of model growth techniques to effectively incorporate new knowledge without the need for complete re-training. However, model growth approaches utilized have issues with growth operators that do not ensure strict function preservation or growth schedules that only include a few growth dimensions, reducing lifelong learning's effect. Furthermore, existing approaches often assume that emerging data has the same distribution as pre-training data, causing catastrophic forgetting of previously acquired knowledge. To address the aforementioned issues, we introduce LOIRE, a framework for lifelong learning that enables PLMs to effectively grow their capacity using incremental data. LOIRE employs growth operators for all feasible dimensions and a growth schedule to generate the optimal expansion sequence in the field of lifelong learning. Specifically, we present a novel plug-in layer growth operator with residual connections that skip the newly added layer during initial training while ensuring function preservation. We additionally propose an iterative distillation strategy for LOIRE that allows an intermediate model in the growth stages to switch between being a student and a teacher, reducing catastrophic forgetting during growth. Experiments show that LOIRE can reduce computational expenses by an average of 29.22\% while retaining equivalent or better downstream performance.

Applications · Language, Speech and Dialog

Chien-yu Huang, Wei-Chih Chen, Shu-wen Yang, Andy T. Liu, Chen-An Li, Yu-Xiang Lin, Wei-Cheng Tseng, Anuj Diwan, Yi-Jen Shih, Jiatong Shi 等

Multimodal foundation models, such as Gemini and ChatGPT, have revolutionized human-machine interactions by seamlessly integrating various forms of data. Developing a universal spoken language model that comprehends a wide range of natural language instructions is critical for bridging communication gaps and facilitating more intuitive interactions. However, the absence of a comprehensive evaluation benchmark poses a significant challenge. We present Dynamic-SUPERB Phase-2, an open and evolving benchmark for the comprehensive evaluation of instruction-based universal speech models. Building upon the first generation, this second version incorporates 125 new tasks contributed collaboratively by the global research community, expanding the benchmark to a total of 180 tasks, making it the largest benchmark for speech and audio evaluation. While the first generation of Dynamic-SUPERB was limited to classification tasks, Dynamic-SUPERB Phase-2 broadens its evaluation capabilities by introducing a wide array of novel and diverse tasks, including regression and sequence generation, across speech, music, and environmental audio. Evaluation results show that no model performed well universally. SALMONN-13B excelled in English ASR and Qwen2-Audio-7B-Instruct showed high accuracy in emotion recognition, but current models still require further innovations to handle a broader range of tasks. We open-source all task data and the evaluation pipeline at https://github.com/dynamic-superb/dynamic-superb.

Applications · Chemistry and Drug Discovery

Michael Sun, Alston Lo, Minghao Guo, Jie Chen, Connor Coley, Wojciech Matusik

Designing synthetically accessible molecules and recommending analogs to unsynthesizable molecules are important problems for accelerating molecular discovery. We reconceptualize both problems using ideas from program synthesis. Drawing inspiration from syntax-guided synthesis approaches, we decouple the syntactic skeleton from the semantics of a synthetic tree to create a bilevel framework for reasoning about the combinatorial space of synthesis pathways. Given a molecule we aim to generate analogs for, we iteratively refine its skeletal characteristics via Markov Chain Monte Carlo simulations over the space of syntactic skeletons. Given a black-box oracle to optimize, we formulate a joint design space over syntactic templates and molecular descriptors and introduce evolutionary algorithms that optimize both syntactic and semantic dimensions synergistically. Our key insight is that once the syntactic skeleton is set, we can amortize over the search complexity of deriving the program's semantics by training policies to fully utilize the fixed horizon Markov Decision Process imposed by the syntactic template. We demonstrate performance advantages of our bilevel framework for synthesizable analog generation and synthesizable molecule design. Notably, our approach offers the user explicit control over the resources required to perform synthesis and biases the design space towards simpler solutions, making it particularly promising for autonomous synthesis platforms. Supporting code is at https://github.com/shiningsunnyday/SynthesisNet.

Deep Learning · Large Language Models

Joe Cavanagh, Andrew Gritsevskiy, Najoung Kim, Derik Kauffman, Zhengping Zhou, Daniel Wurgaft, Alicia Parrish, Max Weiss, Alexis Ross, Gabriel Recchia 等

Work on scaling laws has found that large language models (LMs) show predictable improvements to overall loss with increased scale (model size, training data, and compute). Here, we present evidence for the claim that LMs may show inverse scaling, or worse task performance with increased scale, e.g., due to flaws in the training objective and data. We present empirical evidence of inverse scaling on 11 datasets collected by running a public contest, the Inverse Scaling Prize, with a substantial prize pool. Through analysis of the datasets, along with other examples found in the literature, we identify four potential causes of inverse scaling: (i) preference to repeat memorized sequences over following in-context instructions, (ii) imitation of undesirable patterns in the training data, (iii) tasks containing an easy distractor task which LMs could focus on, rather than the harder real task, and (iv) correct but misleading few-shot demonstrations of the task. We release the winning datasets at inversescaling.com/data to allow for further investigation of inverse scaling. Our tasks have helped drive the discovery of U-shaped and inverted-U scaling trends, where an initial trend reverses, suggesting that scaling trends are less reliable at predicting the behavior of larger-scale models than previously understood. Overall, our results suggest that there are tasks for which increased model scale alone may not lead to progress, and that more careful thought needs to go into the data and objectives for training language models.

Deep Learning · Large Language Models

Yui Oka, Taku Hasegawa, Kyosuke Nishida, Kuniko Saito

In the realm of large-scale language models, a significant challenge arises when extrapolating sequences beyond the maximum allowable length. This is because the model's position embedding mechanisms are limited to positions encountered during training, thus preventing effective representation of positions in longer sequences.We analyzed conventional position encoding methods for long contexts and found the following characteristics.(1) When the representation dimension is regarded as the time axis, Rotary Position Embedding (RoPE) can be interpreted as a restricted wavelet transform using Haar-like wavelets. However, because it uses only a fixed scale parameter, it does not fully exploit the advantages of wavelet transforms, which capture the fine movements of non-stationary signals using multiple scales (window sizes). This limitation could explain why RoPE performs poorly in extrapolation.(2)Previous research as well as our own analysis indicates that Attention with Linear Biases (ALiBi) functions similarly to windowed attention, using windows of varying sizes.However, it has limitations in capturing deep dependencies because it restricts the receptive field of the model.From these insights, we propose a new position representation method that captures multiple scales (i.e., window sizes) by leveraging wavelet transforms without limiting the model's attention field.Experimental results show that this new method improves the performance of the model in both short and long contexts. In particular, our method allows extrapolation of position information without limiting the model's attention field.