Partial-label learning (PLL) allows each training example to be equipped with a set of candidate labels. Existing deep PLL research focuses on a \emph{learning-centric} perspective to design various training strategies for label disambiguation i.e., identifying the concealed true label from the candidate label set, for model training. However, when the size of the candidate label set becomes excessively large, these learning-centric strategies would be unable to find the true label for model training, thereby causing performance degradation. This motivates us to think from a \emph{data-centric} perspective and pioneer a new PLL-related task called candidate label set pruning (CLSP) that aims to filter out certain potential false candidate labels in a training-free manner. To this end, we propose the first CLSP method based on the inconsistency between the representation space and the candidate label space. Specifically, for each candidate label of a training instance, if it is not a candidate label of the instance's nearest neighbors in the representation space, then it has a high probability of being a false label. Based on this intuition, we employ a per-example pruning scheme that filters out a specific proportion of high-probability false candidate labels. Theoretically, we prove an upper bound of the pruning error rate and analyze how the quality of representations affects our proposed method. Empirically, extensive experiments on both benchmark-simulated and real-world PLL datasets validate the great value of CLSP to significantly improve many state-of-the-art deep PLL methods.
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Deep Learning · Generative Models and Autoencoders
Diffusion or flow-based models are powerful generative paradigms that are notoriously hard to sample as samples are defined as solutions to high-dimensional Ordinary or Stochastic Differential Equations (ODEs/SDEs) which require a large Number of Function Evaluations (NFE) to approximate well. Existing methods to alleviate the costly sampling process include model distillation and designing dedicated ODE solvers. However, distillation is costly to train and sometimes can deteriorate quality, while dedicated solvers still require relatively large NFE to produce high quality samples. In this paper we introduce ``Bespoke solvers'', a novel framework for constructing custom ODE solvers tailored to the ODE of a given pre-trained flow model. Our approach optimizes an order consistent and parameter-efficient solver (e.g., with 80 learnable parameters), is trained for roughly 1\% of the GPU time required for training the pre-trained model, and significantly improves approximation and generation quality compared to dedicated solvers. For example, a Bespoke solver for a CIFAR10 model produces samples with Fréchet Inception Distance (FID) of 2.73 with 10 NFE, and gets to 1\% of the Ground Truth (GT) FID (2.59) for this model with only 20 NFE. On the more challenging ImageNet-64$\times$64, Bespoke samples at 2.2 FID with 10 NFE, and gets within 2\% of GT FID (1.71) with 20 NFE.
Deep Learning · Large Language Models
We present Emu, a multimodal foundation model that seamlessly generates images and text in multimodal context. This omnivore model can take in any single-modality or multimodal data input indiscriminately (e.g., interleaved image, text and video) through a one-model-for-all autoregressive training process. First, visual signals are encoded into embeddings, and together with text tokens form an interleaved input sequence. Emu is end-to-end trained with a unified objective of classifying the next text token or regressing the next visual embedding in the multimodal sequence. This versatile multimodality empowers the leverage of diverse pretraining data sources at scale, such as videos with interleaved frames and text, webpages with interleaved images and text, as well as web-scale image-text pairs and video-text pairs. Emu can serve as a generalist multimodal interface for both image-to-text and text-to-image tasks, supporting in-context image and text generation. Across a broad range of zero-shot/few-shot tasks including image captioning, visual question answering, video question answering and text-to-image generation, Emu demonstrates superb performance compared to state-of-the-art large multimodal models. Extended capabilities such as multimodal assistants via instruction tuning are also demonstrated with impressive performance.
Deep Learning · Algorithms
Lip-to-speech involves generating a natural-sounding speech synchronized with a soundless video of a person talking. Despite recent advances, current methods still cannot produce high-quality speech with high levels of intelligibility for challenging and realistic datasets such as LRS3. In this work, we present LipVoicer, a novel method that generates high-quality speech, even for in-the-wild and rich datasets, by incorporating the text modality. Given a silent video, we first predict the spoken text using a pre-trained lip-reading network. We then condition a diffusion model on the video and use the extracted text through a classifier-guidance mechanism where a pre-trained automatic speech recognition (ASR ) serves as the classifier. LipVoicer outperforms multiple lip-to-speech baselines on LRS2 and LRS3, which are in-the-wild datasets with hundreds of unique speakers in their test set and an unrestricted vocabulary. Moreover, our experiments show that the inclusion of the text modality plays a major role in the intelligibility of the produced speech, readily perceptible while listening, and is empirically reflected in the substantial reduction of the word error rate ( WER ) metric. We demonstrate the effectiveness of LipVoicer through human evaluation, which shows that it produces more natural and synchronized speech signals compared to competing methods. Finally, we created a demo showcasing LipVoicer’s superiority in producing natural, synchronized, and intelligible speech, providing additional evidence of its effectiveness. Project page and code: https://github.com/yochaiye/LipVoicer
We propose Riemannian Flow Matching (RFM), a simple yet powerful framework for training continuous normalizing flows on manifolds. Existing methods for generative modeling on manifolds either require expensive simulation, are inherently unable to scale to high dimensions, or use approximations for limiting quantities that result in biased training objectives. Riemannian Flow Matching bypasses these limitations and offers several advantages over previous approaches: it is simulation-free on simple geometries, does not require divergence computation, and computes its target vector field in closed-form. The key ingredient behind RFM is the construction of a relatively simple premetric for defining target vector fields, which encompasses the existing Euclidean case. To extend to general geometries, we rely on the use of spectral decompositions to efficiently compute premetrics on the fly. Our method achieves state-of-the-art performance on real-world non-Euclidean datasets, and we demonstrate tractable training on general geometries, including triangular meshes with highly non-trivial curvature and boundaries.
Social Aspects · Accountability, Transparency and Interpretability
Machine unlearning has emerged as a new paradigm to deliberately forget data samples from a given model in order to adhere to stringent regulations.However, existing machine unlearning methods have been primarily focused on classification models, leaving the landscape of unlearning for generative models relatively unexplored.This paper serves as a bridge, addressing the gap by providing a unifying framework of machine unlearning for image-to-image generative models.Within this framework, we propose a computationally-efficient algorithm, underpinned by rigorous theoretical analysis, that demonstrates negligible performance degradation on the retain samples, while effectively removing the information from the forget samples. Empirical studies on two large-scale datasets, ImageNet-1K and Places-365, further show that our algorithm does not rely on the availability of the retain samples, which further complies with data retention policy.To our best knowledge, this work is the first that represents systemic, theoretical, empirical explorations of machine unlearning specifically tailored for image-to-image generative models.
Social Aspects · Trustworthy Machine Learning
Model pruning is a popular approach to enable the deployment of large deep learning models on edge devices with restricted computational or storage capacities. Although sparse models achieve performance comparable to that of their dense counterparts at the level of the entire dataset, they exhibit high accuracy drops for some data sub-groups. Existing methods to mitigate this disparate impact induced by pruning (i) rely on surrogate metrics that address the problem indirectly and have limited interpretability; or (ii) scale poorly with the number of protected sub-groups in terms of computational cost. We propose a constrained optimization approach that _directly addresses the disparate impact of pruning_: our formulation bounds the accuracy change between the dense and sparse models, for each sub-group. This choice of constraints provides an interpretable success criterion to determine if a pruned model achieves acceptable disparity levels. Experimental results demonstrate that our technique scales reliably to problems involving large models and hundreds of protected sub-groups.
Deep Learning · Generative Models and Autoencoders
Training energy-based models (EBMs) on high-dimensional data can be both challenging and time-consuming, and there exists a noticeable gap in sample quality between EBMs and other generative frameworks like GANs and diffusion models. To close this gap, inspired by the recent efforts of learning EBMs by maximimizing diffusion recovery likelihood (DRL), we propose cooperative diffusion recovery likelihood (CDRL), an effective approach to tractably learn and sample from a series of EBMs defined on increasingly noisy versons of a dataset, paired with an initializer model for each EBM. At each noise level, the two models are jointly estimated within a cooperative training framework: Samples from the initializer serve as starting points that are refined by a few MCMC sampling steps from the EBM. The EBM is then optimized by maximizing recovery likelihood, while the initializer model is optimized by learning from the difference between the refined samples and the initial samples. In addition, we made several practical designs for EBM training to further improve the sample quality. Combining these advances, we significantly boost the generation performance compared to existing EBM methods on CIFAR-10 and ImageNet 32x32. And we have shown that CDRL has great potential to largely reduce the sampling time. We also demonstrate the effectiveness of our models for several downstream tasks, including classifier-free guided generation, compositional generation, image inpainting and out-of-distribution detection.
Deep Learning · Graph Neural Networks
Realistic graphs contain both (1) rich self-features of nodes and (2) informative structures of neighborhoods, jointly handled by a Graph Neural Network (GNN) in the typical setup. We propose to decouple the two modalities by **M**ixture **o**f **w**eak and **st**rong experts (**Mowst**), where the weak expert is a light-weight Multi-layer Perceptron (MLP), and the strong expert is an off-the-shelf GNN. To adapt the experts' collaboration to different target nodes, we propose a "confidence" mechanism based on the dispersion of the weak expert's prediction logits. The strong expert is conditionally activated in the low-confidence region when either the node's classification relies on neighborhood information, or the weak expert has low model quality. We reveal interesting training dynamics by analyzing the influence of the confidence function on loss: our training algorithm encourages the specialization of each expert by effectively generating soft splitting of the graph. In addition, our "confidence" design imposes a desirable bias toward the strong expert to benefit from GNN's better generalization capability. Mowst is easy to optimize and achieves strong expressive power, with a computation cost comparable to a single GNN. Empirically, Mowst on 4 backbone GNN architectures show significant accuracy improvement on 6 standard node classification benchmarks, including both homophilous and heterophilous graphs (https://github.com/facebookresearch/mowst-gnn).
Social Aspects · Accountability, Transparency and Interpretability
Saliency-based representation visualization (SRV) ($e.g.$, Grad-CAM) is one of the most classical and widely adopted explainable artificial intelligence (XAI) methods for its simplicity and efficiency. It can be used to interpret deep neural networks by locating saliency areas contributing the most to their predictions. However, it is difficult to automatically measure and evaluate the performance of SRV methods due to the lack of ground-truth salience areas of samples. In this paper, we revisit the backdoor-based SRV evaluation, which is currently the only feasible method to alleviate the previous problem. We first reveal its \emph{implementation limitations} and \emph{unreliable nature} due to the trigger generalization of existing backdoor watermarks. Given these findings, we propose a generalization-limited backdoor watermark (GLBW), based on which we design a more faithful XAI evaluation. Specifically, we formulate the training of watermarked DNNs as a min-max problem, where we find the `worst' potential trigger (with the highest attack effectiveness and differences from the ground-truth trigger) via inner maximization and minimize its effects and the loss over benign and poisoned samples via outer minimization in each iteration. In particular, we design an adaptive optimization method to find desired potential triggers in each inner maximization. Extensive experiments on benchmark datasets are conducted, verifying the effectiveness of our generalization-limited watermark. Our codes are available at \url{https://github.com/yamengxi/GLBW}.
Deep Learning · Sequential Models, Time series
Contrastive learning has shown to be effective to learn representations from time series in a self-supervised way.However, contrasting similar time series instances or values from adjacent timestamps within a time series leads to ignore their inherent correlations, which results in deteriorating the quality of learned representations.To address this issue, we propose \textit{SoftCLT}, a simple yet effective soft contrastive learning strategy for time series.This is achieved by introducing instance-wise and temporal contrastive loss with soft assignments ranging from zero to one.Specifically, we define soft assignments for 1) instance-wise contrastive loss by distance between time series on the data space, warping and 2) temporal contrastive loss by the difference of timestamps.SoftCLT is a plug-and-play method for time series contrastive learning that improves the quality of learned representations without bells and whistles.In experiments, we demonstrate that SoftCLT consistently improves the performance in various downstream tasks including classification, semi-supervised learning, transfer learning, and anomaly detection, showing state-of-the-art performance.Code is available at this repository: https://github.com/seunghan96/softclt.
A recent line of works showed regret bounds in reinforcement learning (RL) can be (nearly) independent of planning horizon, a.k.a. the horizon-free bounds. However, these regret bounds only apply to settings where a polynomial dependency on the size of transition model is allowed, such as tabular Markov Decision Process (MDP) and linear mixture MDP. We give the first horizon-free bound for the popular linear MDP setting where the size of the transition model can be exponentially large or even uncountable. In contrast to prior works which explicitly estimate the transition model and compute the inhomogeneous value functions at different time steps, we directly estimate the value functions and confidence sets. We obtain the horizon-free bound by: (1) maintaining multiple weighted least square estimators for the value functions; and (2) a structural lemma which shows the maximal total variation of the inhomogeneous value functions is bounded by a polynomial factor of the feature dimension.
Deep Learning · Sequential Models, Time series
Masked time series modeling has recently gained much attention as a self-supervised representation learning strategy for time series.Inspired by masked image modeling in computer vision, recent works first patchify and partially mask out time series, and then train Transformers to capture the dependencies between patches by predicting masked patches from unmasked patches.However, we argue that capturing such patch dependencies might not be an optimal strategy for time series representation learning;rather, learning to embed patches independently results in better time series representations.Specifically, we propose to use 1) the simple patch reconstruction task, which autoencode each patch without looking at other patches, and 2) the simple patch-wise MLP that embeds each patch independently.In addition, we introduce complementary contrastive learning to hierarchically capture adjacent time series information efficiently.Our proposed method improves time series forecasting and classification performance compared to state-of-the-art Transformer-based models, while it is more efficient in terms of the number of parameters and training time.Code is available at this repository: https://github.com/seunghan96/pits.
Deep Learning · Generative Models and Autoencoders
In optimal transport (OT), a Monge map is known as a mapping that transports a source distribution to a target distribution in the most cost-efficient way. Recently, multiple neural estimators for Monge maps have been developed and applied in diverse unpaired domain translation tasks, e.g. in single-cell biology and computer vision. However, the classic OT framework enforces mass conservation, whichmakes it prone to outliers and limits its applicability in real-world scenarios. The latter can be particularly harmful in OT domain translation tasks, where the relative position of a sample within a distribution is explicitly taken into account. While unbalanced OT tackles this challenge in the discrete setting, its integration into neural Monge map estimators has received limited attention. We propose a theoreticallygrounded method to incorporate unbalancedness into any Monge map estimator. We improve existing estimators to model cell trajectories over time and to predict cellular responses to perturbations. Moreover, our approach seamlessly integrates with the OT flow matching (OT-FM) framework. While we show that OT-FM performs competitively in image translation, we further improve performance byincorporating unbalancedness (UOT-FM), which better preserves relevant features. We hence establish UOT-FM as a principled method for unpaired image translation.
Deep Learning · Robustness
Visual object tracking plays a critical role in visual-based autonomous systems, as it aims to estimate the position and size of the object of interest within a live video. Despite significant progress made in this field, state-of-the-art (SOTA) trackers often fail when faced with adversarial perturbations in the incoming frames. This can lead to significant robustness and security issues when these trackers are deployed in the real world. To achieve high accuracy on both clean and adversarial data, we propose building a spatial-temporal continuous representation using the semantic text guidance of the object of interest. This novel continuous representation enables us to reconstruct incoming frames to maintain semantic and appearance consistency with the object of interest and its clean counterparts. As a result, our proposed method successfully defends against different SOTA adversarial tracking attacks while maintaining high accuracy on clean data. In particular, our method significantly increases tracking accuracy under adversarial attacks with around 90% relative improvement on UAV123, which is even higher than the accuracy on clean data.
Deep Learning · Large Language Models
Inductive reasoning is a core problem-solving capacity: humans can identify underlying principles from a few examples, which can then be robustly generalized to novel scenarios. Recent work has evaluated large language models (LLMs) on inductive reasoning tasks by directly prompting them yielding "in context learning." This can work well for straightforward inductive tasks, but performs very poorly on more complex tasks such as the Abstraction and Reasoning Corpus (ARC). In this work, we propose to improve the inductive reasoning ability of LLMs by generating explicit hypotheses at multiple levels of abstraction: we prompt the LLM to propose multiple abstract hypotheses about the problem, in natural language, then implement the natural language hypotheses as concrete Python programs. These programs can be directly verified by running on the observed examples and generalized to novel inputs. To reduce the hypothesis search space, we explore steps to filter the set of hypotheses to be implemented as programs: we either ask the LLM to summarize them into a smaller set of hypotheses, or ask human annotators to select a subset. We verify our pipeline's effectiveness on the ARC visual inductive reasoning benchmark, its variant 1D-ARC, and string transformation dataset SyGuS. On a random 40-problem subset of ARC, our automated pipeline using LLM summaries achieves 27.5% accuracy, significantly outperforming the direct prompting baseline (accuracy of 12.5%). With the minimal human input of selecting from LLM-generated candidates, the performance is boosted to 37.5%. Our ablation studies show that abstract hypothesis generation and concrete program representations are both beneficial for LLMs to perform inductive reasoning tasks.
Structure prediction of large protein complexes (a.k.a., protein multimer mod-elling, PMM) can be achieved through the one-by-one assembly using provideddimer structures and predicted docking paths. However, existing PMM methodsstruggle with vast search spaces and generalization challenges: (1) The assemblyof a N -chain multimer can be depicted using graph structured data, with eachchain represented as a node and assembly actions as edges. Thus the assemblygraph can be arbitrary acyclic undirected connected graph, leading to the com-binatorial optimization space of N^(N −2) for the PMM problem. (2) Knowledgetransfer in the PMM task is non-trivial. The gradually limited data availability asthe chain number increases necessitates PMM models that can generalize acrossmultimers of various chains. To address these challenges, we propose GAPN, aGenerative Adversarial Policy Network powered by domain-specific rewards andadversarial loss through policy gradient for automatic PMM prediction. Specifi-cally, GAPN learns to efficiently search through the immense assembly space andoptimize the direct docking reward through policy gradient. Importantly, we de-sign a adversarial reward function to enhance the receptive field of our model. Inthis way, GAPN will simultaneously focus on a specific batch of multimers andthe global assembly rules learned from multimers with varying chain numbers.Empirically, we have achieved both significant accuracy (measured by RMSDand TM-Score) and efficiency improvements compared to leading complex mod-eling software. GAPN outperforms the state-of-the-art method (MoLPC) with upto 27% improvement in TM-Score, with a speed-up of 600×.
Miscellaneous Aspects of Machine Learning · General Machine Learning Techniques
Data augmentation, a cornerstone technique in deep learning, is crucial in enhancing model performance, especially with scarce labeled data. While traditional techniques are effective, their reliance on hand-crafted methods limits their applicability across diverse data types and tasks. Although modern learnable augmentation methods offer increased adaptability, they are computationally expensive and challenging to incorporate within prevalent augmentation workflows. In this work, we present a novel, efficient method for data augmentation, effectively bridging the gap between existing augmentation strategies and emerging datasets and learning tasks. We introduce SAFLEX (Self-Adaptive Augmentation via Feature Label EXtrapolation), which learns the sample weights and soft labels of augmented samples provided by any given upstream augmentation pipeline, using a specifically designed efficient bilevel optimization algorithm. Remarkably, SAFLEX effectively reduces the noise and label errors of the upstream augmentation pipeline with a marginal computational cost. As a versatile module, SAFLEX excels across diverse datasets, including natural and medical images and tabular data, showcasing its prowess in few-shot learning and out-of-distribution generalization. SAFLEX seamlessly integrates with common augmentation strategies like RandAug, CutMix, and those from large pre-trained generative models like stable diffusion and is also compatible with frameworks such as CLIP's fine-tuning. Our findings highlight the potential to adapt existing augmentation pipelines for new data types and tasks, signaling a move towards more adaptable and resilient training frameworks.
Social Aspects · Fairness, Equity, Justice and Safety
Machine learning algorithms are commonly being deployed in decision-making systems that have a direct impact on human lives. However, if these algorithms are trained solely to minimize training/test errors, they may inadvertently discriminate against individuals based on their sensitive attributes, such as gender, race or age. Recently, algorithms that ensure the fairness are developed in the machine learning community. Fairness criteria are applied by these algorithms to measure the fairness, but they often use the point estimate to assess the fairness and fail to consider the uncertainty of the sample fairness criterion once the algorithms are deployed. We suggest that assessing the fairness should take the uncertainty into account. In this paper, we use the covariance as a proxy for the fairness and develop the confidence region of the covariance vector using empirical likelihood \citep{Owen1988}. Our confidence region based fairness constraints for classification take uncertainty into consideration during fairness assessment. The proposed confidence region can be used to test the fairness and impose fairness constraint using the significant level as a tool to balance the accuracy and fairness. Simulation studies show that our method exactly covers the target Type I error rate and effectively balances the trade-off between accuracy and fairness. Finally, we conduct data analysis to demonstrate the effectiveness of our method.
Exploring rich environments and evaluating one's actions without prior knowledge is immensely challenging. In this paper, we propose Motif, a general method to interface such prior knowledge from a Large Language Model (LLM) with an agent. Motif is based on the idea of grounding LLMs for decision-making without requiring them to interact with the environment: it elicits preferences from an LLM over pairs of captions to construct an intrinsic reward, which is then used to train agents with reinforcement learning. We evaluate Motif's performance and behavior on the challenging, open-ended and procedurally-generated NetHack game. Surprisingly, by only learning to maximize its intrinsic reward, Motif achieves a higher game score than an algorithm directly trained to maximize the score itself. When combining Motif's intrinsic reward with the environment reward, our method significantly outperforms existing approaches and makes progress on tasks where no advancements have ever been made without demonstrations. Finally, we show that Motif mostly generates intuitive human-aligned behaviors which can be steered easily through prompt modifications, while scaling well with the LLM size and the amount of information given in the prompt.