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Deep Learning · Generative Models and Autoencoders

Jaemoo Choi, Jaewoong Choi, Myungjoo Kang

Wasserstein gradient flow (WGF) describes the gradient dynamics of probability density within the Wasserstein space. WGF provides a promising approach for conducting optimization over the probability distributions. Numerically approximating the continuous WGF requires the time discretization method. The most well-known method for this is the JKO scheme. In this regard, previous WGF models employ the JKO scheme and parametrized transport map for each JKO step. However, this approach results in quadratic training complexity $O(K^2)$ with the number of JKO step $K$. This severely limits the scalability of WGF models. In this paper, we introduce a scalable WGF-based generative model, called Semi-dual JKO (S-JKO). Our model is based on the semi-dual form of the JKO step, derived from the equivalence between the JKO step and the Unbalanced Optimal Transport. Our approach reduces the training complexity to $O(K)$. We demonstrate that our model significantly outperforms existing WGF-based generative models, achieving FID scores of 2.62 on CIFAR-10 and 6.42 on CelebA-HQ-256, which are comparable to state-of-the-art image generative models.

Applications · Neuroscience, Cognitive Science

Hyuna Cho, Jaeyoon Sim, Guorong Wu, Won Hwa Kim

Analysis of neurodegenerative diseases on brain connectomes is important in facilitating early diagnosis and predicting its onset. However, investigation of the progressive and irreversible dynamics of these diseases remains underexplored in cross-sectional studies as its diagnostic groups are considered independent. Also, as in many real-world graphs, brain networks exhibit intricate structures with both homophily and heterophily. To address these challenges, we propose Adaptive Graph diffusion network with Temporal regularization (AGT). AGT introduces node-wise convolution to adaptively capture low (i.e., homophily) and high-frequency (i.e., heterophily) characteristics within an optimally tailored range for each node. Moreover, AGT captures sequential variations within progressive diagnostic groups with a novel temporal regularization, considering the relative feature distance between the groups in the latent space. As a result, our proposed model yields interpretable results at both node-level and group-level. The superiority of our method is validated on two neurodegenerative disease benchmarks for graph classification: Alzheimer’s Disease Neuroimaging Initiative (ADNI) and Parkinson’s Progression Markers Initiative (PPMI) datasets.

Deep Learning · Large Language Models

Minsik Cho, Mohammad Rastegari, Devang Naik

Large Language Model or LLM inference has two phases, the prompt (or prefill) phase to output the first token and the extension (or decoding) phase to the generate subsequent tokens. In this work, we propose an efficient parallelization scheme, KV-Runahead to accelerate the prompt phase. The key observation is that the extension phase generates tokens faster than the prompt phase because of key-value cache (KV-cache). Hence, KV-Runahead parallelizes the prompt phase by orchestrating multiple processes to populate the KV-cache and minimizes the time-to-first-token (TTFT). Dual-purposing the KV-cache scheme has two main benefits. First, since KV-cache is designed to leverage the causal attention map, we minimize computation and computation automatically. Second, since it already exists for the extension phase, KV-Runahead is easy to implement. We further propose context-level load-balancing to handle uneven KV-cache generation (due to the causal attention) and to optimize TTFT. Compared with an existing parallelization scheme such as tensor or sequential parallelization where keys and values are locally generated and exchanged via all-gather collectives, our experimental results demonstrate that KV-Runahead can offer over 1.4× and 1.6× speedups for Llama 7B and Falcon 7B respectively.

Reinforcement Learning · Deep RL

MYUNG-SIK CHO, Jong Eui Park, Suyoung Lee, Youngchul Sung

Multi-task reinforcement learning (RL) faces the significant challenge of varying task difficulties, often leading to negative transfer when simpler tasks overshadow the learning of more complex ones. To overcome this challenge, we propose a novel algorithm, Scheduled Multi-Task Training (SMT), that strategically prioritizes more challenging tasks, thereby enhancing overall learning efficiency. SMT introduces a dynamic task prioritization strategy, underpinned by an effective metric for assessing task difficulty. This metric ensures an efficient and targeted allocation of training resources, significantly improving learning outcomes. Additionally, SMT incorporates a reset mechanism that periodically reinitializes key network parameters to mitigate the simplicity bias, further enhancing the adaptability and robustness of the learning process across diverse tasks. The efficacy of SMT's scheduling method is validated by significantly improving performance on challenging Meta-World benchmarks.

Brian Cho, Yaroslav Mukhin, Kyra Gan, Ivana Malenica

When estimating target parameters in nonparametric models with nuisance parameters, substituting the unknown nuisances with nonparametric estimators can introduce "plug-in bias." Traditional methods addressing this suboptimal bias-variance trade-off rely on the influence function (IF) of the target parameter. When estimating multiple target parameters, these methods require debiasing the nuisance parameter multiple times using the corresponding IFs, which poses analytical and computational challenges. In this work, we leverage the targeted maximum likelihood estimation (TMLE) framework to propose a novel method named kernel debiased plug-in estimation (KDPE). KDPE refines an initial estimate through regularized likelihood maximization steps, employing a nonparametric model based on reproducing kernel Hilbert spaces. We show that KDPE: (i) simultaneously debiases all pathwise differentiable target parameters that satisfy our regularity conditions, (ii) does not require the IF for implementation, and (iii) remains computationally tractable. We numerically illustrate the use of KDPE and validate our theoretical results.

Theory · Probabilistic Methods

Muthu Chidambaram, Holden Lee, Colin McSwiggen, Semon Rezchikov

Informally, a model is calibrated if its predictions are correct with a probability that matches the confidence of the prediction. By far the most common method in the literature for measuring calibration is the expected calibration error (ECE). Recent work, however, has pointed out drawbacks of ECE, such as the fact that it is discontinuous in the space of predictors. In this work, we ask: how fundamental are these issues, and what are their impacts on existing results? Towards this end, we completely characterize the discontinuities of ECE with respect to general probability measures on Polish spaces. We then use the nature of these discontinuities to motivate a novel *continuous, easily estimated* miscalibration metric, which we term *Logit-Smoothed ECE (LS-ECE)*. By comparing the ECE and LS-ECE of pre-trained image classification models, we show in initial experiments that binned ECE closely tracks LS-ECE, indicating that the theoretical pathologies of ECE may be avoidable in practice.

Applications · Robotics

Pranav Singh Chib, Pravendra Singh

Trajectory prediction is an important task that involves modeling the indeterminate nature of agents to forecast future trajectories given the observed trajectory sequences. The task of predicting trajectories poses significant challenges, as agents not only move individually through time but also interact spatially. The learning of complex spatio-temporal representations stands as a fundamental challenge in trajectory prediction. To this end, we propose a novel approach called SSWDP (Self-Supervised Waypoint Distortion Prediction). We propose a simple yet highly effective self-supervised task of predicting distortion present in the observed trajectories to improve the representation learning of the model. Our approach can complement existing trajectory prediction methods. The experimental results highlight a significant improvement with relative percentage differences of 22.7%/38.9%, 33.8%/36.4%, and 16.60%/23.20% in ADE/FDE for the NBA, TrajNet++, and ETH-UCY datasets, respectively, compared to the baseline methods. Our approach also demonstrates a significant improvement over baseline methods with relative percentage differences of 76.8%/82.5% and 61.0%/36.1% in ADE/FDE for TrajNet++ and NBA datasets in distorted environments, respectively.

Applications · Robotics

Pranav Singh Chib, Achintya Nath, Paritosh Kabra, Ishu Gupta, Pravendra Singh

Pedestrian trajectory prediction aims to predict future trajectories based on observed trajectories. Current state-of-the-art methods often assume that the observed sequences of agents are complete, which is a strong assumption that overlooks inherent uncertainties. Understanding pedestrian behavior when dealing with missing values in the observed sequence is crucial for enhancing the performance of predictive models. In this work, we propose the MultiScale hypergraph for Trajectory Imputation and Prediction (MS-TIP), a novel approach that simultaneously addresses the imputation of missing observations and the prediction of future trajectories. Specifically, we leverage transformers with diagonal masked self-attention to impute incomplete observations. Further, our approach promotes complex interaction modeling through multi-scale hypergraphs, optimizing our trajectory prediction module to capture different types of interactions. With the inclusion of scenic attention, we learn contextual scene information, instead of sole reliance on coordinates. Additionally, our approach utilizes an intermediate control point and refinement module to infer future trajectories accurately. Extensive experiments validate the efficacy of MS-TIP in precisely predicting pedestrian future trajectories. Code is publicly available at https://github.com/Pranav-chib/MS-TIP.

Reinforcement Learning · Inverse

Chia-Cheng Chiang, Li-Cheng Lan, Wei-Fang Sun, Chien Feng, Cho-Jui Hsieh, Chun-Yi Lee

In this paper, we focus on single-demonstration imitation learning (IL), a practical approach for real-world applications where acquiring multiple expert demonstrations is costly or infeasible and the ground truth reward function is not available. In contrast to typical IL settings with multiple demonstrations, single-demonstration IL involves an agent having access to only one expert trajectory. We highlight the issue of sparse reward signals in this setting and propose to mitigate this issue through our proposed Transition Discriminator-based IL (TDIL) method. TDIL is an IRL method designed to address reward sparsity by introducing a denser surrogate reward function that considers environmental dynamics. This surrogate reward function encourages the agent to navigate towards states that are proximal to expert states. In practice, TDIL trains a transition discriminator to differentiate between valid and non-valid transitions in a given environment to compute the surrogate rewards. The experiments demonstrate that TDIL outperforms existing IL approaches and achieves expert-level performance in the single-demonstration IL setting across five widely adopted MuJoCo benchmarks as well as the "Adroit Door" robotic environment.

Wang Chi Cheung, Lixing Lyu

We leverage offline data to facilitate online learning in stochastic multi-armed bandits. The probability distributions that govern the offline data and the online rewards can be different. Without any non-trival upper bound on their difference, we show that no non-anticipatory policy can out-perform the UCB policy by (Auer et al. 2002), even in the presence of offline data. In complement, we propose an online policy MIN-UCB, which outperforms UCB when a non-trivial upper bound is given. MIN-UCB adaptively chooses to utilize the offline data when they are deemed informative, and to ignore them otherwise. MIN-UCB is shown to be tight in terms of both instance indepedent and dependent regret bounds. Finally, we corroborate the theoretical results with numerical experiments.

Applications

Manuel Cherep, Nikhil Singh, Jessica Shand

Neural audio synthesis methods now allow specifying ideas in natural language. However, these methods produce results that cannot be easily tweaked, as they are based on large latent spaces and up to billions of uninterpretable parameters. We propose a text-to-audio generation method that leverages a virtual modular sound synthesizer with only 78 parameters. Synthesizers have long been used by skilled sound designers for media like music and film due to their flexibility and intuitive controls. Our method, CTAG, iteratively updates a synthesizer's parameters to produce high-quality audio renderings of text prompts that can be easily inspected and tweaked. Sounds produced this way are also more abstract, capturing essential conceptual features over fine-grained acoustic details, akin to how simple sketches can vividly convey visual concepts. Our results show how CTAG produces sounds that are distinctive, perceived as artistic, and yet similarly identifiable to recent neural audio synthesis models, positioning it as a valuable and complementary tool.

Probabilistic Methods · Variational Inference

Ziheng Cheng, Longlin Yu, Tianyu Xie, Shiyue Zhang, Cheng Zhang

Semi-implicit variational inference (SIVI) extends traditional variational families with semi-implicit distributions defined in a hierarchical manner. Due to the intractable densities of semi-implicit distributions, classical SIVI often resorts to surrogates of evidence lower bound (ELBO) that would introduce biases for training. A recent advancement in SIVI, named SIVI-SM, utilizes an alternative score matching objective made tractable via a minimax formulation, albeit requiring an additional lower-level optimization. In this paper, we propose kernel SIVI (KSIVI), a variant of SIVI-SM that eliminates the need for the lower-level optimization through kernel tricks. Specifically, we show that when optimizing over a reproducing kernel Hilbert space (RKHS), the lower-level problem has an explicit solution. This way, the upper-level objective becomes the kernel Stein discrepancy (KSD), which is readily computable for stochastic gradient descent due to the hierarchical structure of semi-implicit variational distributions. An upper bound for the variance of the Monte Carlo gradient estimators of the KSD objective is derived, which allows us to establish novel convergence guarantees of KSIVI. We demonstrate the effectiveness and efficiency of KSIVI on both synthetic distributions and a variety of real data Bayesian inference tasks.

Reinforcement Learning · Deep RL

Jie Cheng, Gang Xiong, Xingyuan Dai, Qinghai Miao, Yisheng Lv, Fei-Yue Wang

Preference-based Reinforcement Learning (PbRL) circumvents the need for reward engineering by harnessing human preferences as the reward signal. However, current PbRL methods excessively depend on high-quality feedback from domain experts, which results in a lack of robustness. In this paper, we present RIME, a robust PbRL algorithm for effective reward learning from noisy preferences. Our method utilizes a sample selection-based discriminator to dynamically filter out noise and ensure robust training. To counteract the cumulative error stemming from incorrect selection, we suggest a warm start for the reward model, which additionally bridges the performance gap during the transition from pre-training to online training in PbRL. Our experiments on robotic manipulation and locomotion tasks demonstrate that RIME significantly enhances the robustness of the state-of-the-art PbRL method. Code is available at https://github.com/CJReinforce/RIME_ICML2024.

Reinforcement Learning · Deep RL

Zelei Cheng, Xian Wu, Jiahao Yu, Sabrina Yang, Gang Wang, Xinyu Xing

Deep reinforcement learning (DRL) is playing an increasingly important role in real-world applications. However, obtaining an optimally performing DRL agent for complex tasks, especially with sparse rewards, remains a significant challenge. The training of a DRL agent can be often trapped in a bottleneck without further progress. In this paper, we propose RICE, an innovative refining scheme for reinforcement learning that incorporates explanation methods to break through the training bottlenecks. The high-level idea of RICE is to construct a new initial state distribution that combines both the default initial states and critical states identified through explanation methods, thereby encouraging the agent to explore from the mixed initial states. Through careful design, we can theoretically guarantee that our refining scheme has a tighter sub-optimality bound. We evaluate RICE in various popular RL environments and real-world applications. The results demonstrate that RICE significantly outperforms existing refining schemes in enhancing agent performance.

Applications · Computer Vision

Kai Cheng, Xiaoxiao Long, Kaizhi Yang, Yao Yao, Wei Yin, Yuexin Ma, Wenping Wang, Xuejin Chen

3D Gaussian Splatting (3DGS) has recently revolutionized the field of neural rendering with its high fidelity and efficiency. However, 3DGS heavily depends on the initialized point cloud produced by Structure-from-Motion (SfM) techniques. When tackling large-scale scenes that unavoidably contain texture-less surfaces, SfM techniques fail to produce enough points in these surfaces and cannot provide good initialization for 3DGS. As a result, 3DGS suffers from difficult optimization and low-quality renderings. In this paper, inspired by classic multi-view stereo (MVS) techniques, we propose GaussianPro, a novel method that applies a progressive propagation strategy to guide the densification of the 3D Gaussians. Compared to the simple split and clone strategies used in 3DGS, our method leverages the priors of the existing reconstructed geometries of the scene and utilizes patch matching to produce new Gaussians with accurate positions and orientations. Experiments on both large-scale and small-scale scenes validate the effectiveness of our method. Our method significantly surpasses 3DGS on the Waymo dataset, exhibiting an improvement of 1.15dB in terms of PSNR. Codes and data are available at https://github.com/kcheng1021/GaussianPro.

Deep Learning · Robustness

Zhiyuan Cheng, Zhaoyi Liu, Tengda Guo, Shiwei Feng, Dongfang Liu, Mingjie Tang, Xiangyu Zhang

Pixel-wise regression tasks (e.g., monocular depth estimation (MDE) and optical flow estimation (OFE)) have been widely involved in our daily life in applications like autonomous driving, augmented reality and video composition. Although certain applications are security-critical or bear societal significance, the adversarial robustness of such models are not sufficiently studied, especially in the black-box scenario. In this work, we introduce the first unified black-box adversarial patch attack framework against pixel-wise regression tasks, aiming to identify the vulnerabilities of these models under query-based black-box attacks. We propose a novel square-based adversarial patch optimization framework and employ probabilistic square sampling and score-based gradient estimation techniques to generate the patch effectively and efficiently, overcoming the scalability problem of previous black-box patch attacks. Our attack prototype, named BadPart, is evaluated on both MDE and OFE tasks, utilizing a total of 7 models. BadPart surpasses 3 baseline methods in terms of both attack performance and efficiency. We also apply BadPart on the Google online service for portrait depth estimation, causing 43.5% relative distance error with 50K queries. State-of-the-art (SOTA) countermeasures cannot defend our attack effectively.

Xingwu Chen, Difan Zou

We study the capabilities of the transformer architecture with varying depth. Specifically, we designed a novel set of sequence learning tasks to systematically evaluate and comprehend how the depth of transformer affects its ability to perform memorization, reasoning, generalization, and contextual generalization. We show a transformer with only one attention layer can excel in memorization but falls short in other tasks. Then, we show that exhibiting reasoning and generalization ability requires the transformer to have at least two attention layers, while context generalization ability may necessitate three attention layers. Additionally, we identify a class of simple operations that a single attention layer can execute, and show that the complex tasks can be approached as the combinations of these simple operations and thus can be resolved by stacking multiple attention layers. This sheds light on studying more practical and complex tasks beyond our design. Numerical experiments corroborate our theoretical findings.

Deep Learning · Other Representation Learning

Zhuojun Chen, Xinghua Zhu, Dongzhe Su, Justin CHUANG

We propose Stacked Deep Sets and Quantile Pooling for learning tasks on set data. We introduce Quantile Pooling, a novel permutation-invariant pooling operation that synergizes max and average pooling. Just like max pooling, quantile pooling emphasizes the most salient features of the data. Like average pooling, it captures the overall distribution and subtle features of the data. Like both, it is lightweight and fast. We demonstrate the effectiveness of our approach in a variety of tasks, showing that quantile pooling can outperform both max and average pooling in each of their respective strengths. We also introduce a variant of deep set networks that is more expressive and universal. While Quantile Pooling balances robustness and sensitivity, Stacked Deep Sets enhances learning with depth.

Deep Learning · Generative Models and Autoencoders

Liyan Chen, Yan Zheng, Yang Li, Lohit A. Jagarapu, Haoxiang Li, Hao Kang, Gang Hua, Qixing Huang

A fundamental problem in learning 3D shapes generative models is that when the generative model is simply fitted to the training data, the resulting synthetic 3D models can present various artifacts. Many of these artifacts are topological in nature, e.g., broken legs, unrealistic thin structures, and small holes. In this paper, we introduce a principled approach that utilizes topological regularization losses on an implicit shape generator to rectify topological artifacts. The objectives are two-fold. The first is to align the persistent diagram (PD) distribution of the training shapes with that of synthetic shapes. The second ensures that the PDs are smooth among adjacent synthetic shapes. We show how to achieve these two objectives using two simple but effective formulations. Specifically, distribution alignment is achieved to learn a generative model of PDs and align this generator with PDs of synthetic shapes. We show how to handle discrete and continuous variabilities of PDs by using a shape-regularization term when performing PD alignment. Moreover, we enforce the smoothness of the PDs using a smoothness loss on the PD generator, which further improves the behavior of PD distribution alignment. Experimental results on ShapeNet show that our approach leads to much better generalization behavior than state-of-the-art implicit shape generators.

Social Aspects · Trustworthy Machine Learning

Wenbo Chen, Haoruo Zhao, Mathieu Tanneau, Pascal Van Hentenryck

Recent years have witnessed increasing interest in optimization proxies, i.e., machine learning models that approximate the input-output mapping of parametric optimization problems and return near-optimal feasible solutions. Following recent work by (Nellikkath & Chatzivasileiadis, 2021), this paper reconsiders the optimality verification problem for optimization proxies, i.e., the determination of the worst-case optimality gap over the instance distribution. The paper proposes a compact formulation for optimality verification and a gradient-based primal heuristic that brings significant computational benefits to the original formulation. The compact formulation is also more general and applies to non-convex optimization problems. The benefits of the compact formulation are demonstrated on large-scale DC Optimal Power Flow and knapsack problems.