mtybilly/Instruct2DS huggingface dataset:
ESNet: Evolution and Succession Network for High-Resolution Salient Object Detection
Authors: Liu, Hongyu and Cong, Runmin and Li, Hua and Xu, Qianqian and Huang, Qingming and Zhang, Wei
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Preserving details and avoiding high computational costs are the two main challenges for the High-Resolution Salient Object Detection (HRSOD) task. In this paper, we propose a two-stage HRSOD model from the perspective of evolution and succession, including an evolution stage with Low-resolution Location Model (LrLM) and a succession stage with High-resolution Refinement Model (HrRM). The evolution stage achieves detail-preserving salient objects localization on the low-resolution image through the evolution mechanisms on supervision and feature; the succession stage utilizes the shallow high-resolution features to complement and enhance the features inherited from the first stage in a lightweight manner and generate the final high-resolution saliency prediction. Besides, a new metric named Boundary-Detail-aware Mean Absolute Error ($MAE_BD$) is designed to evaluate the ability to detect details in high-resolution scenes. Extensive experiments on five datasets demonstrate that our network achieves superior performance at real-time speed (49 FPS) compared to state-of-the-art methods.
The Pitfalls and Promise of Conformal Inference Under Adversarial Attacks
Authors: Liu, Ziquan and Cui, Yufei and Yan, Yan and Xu, Yi and Ji, Xiangyang and Liu, Xue and Chan, Antoni B.
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: In safety-critical applications such as medical imaging and autonomous driving, where decisions have profound implications for patient health and road safety, it is imperative to maintain both high adversarial robustness to protect against potential adversarial attacks and reliable uncertainty quantification in decision-making. With extensive research focused on enhancing adversarial robustness through various forms of adversarial training (AT), a notable knowledge gap remains concerning the uncertainty inherent in adversarially trained models. To address this gap, this study investigates the uncertainty of deep learning models by examining the performance of conformal prediction (CP) in the context of standard adversarial attacks within the adversarial defense community. It is first unveiled that existing CP methods do not produce informative prediction sets under the commonly used $l_ınfty$-norm bounded attack if the model is not adversarially trained, which underpins the importance of adversarial training for CP. Our paper next demonstrates that the prediction set size (PSS) of CP using adversarially trained models with AT variants is often worse than using standard AT, inspiring us to research into CP-efficient AT for improved PSS. We propose to optimize a Beta-weighting loss with an entropy minimization regularizer during AT to improve CP-efficiency, where the Beta-weighting loss is shown to be an upper bound of PSS at the population level by our theoretical analysis. Moreover, our empirical study on four image classification datasets across three popular AT baselines validates the effectiveness of the proposed Uncertainty-Reducing AT (AT-UR).
Preference Optimization for Molecule Synthesis with Conditional Residual Energy-based Models
Authors: Liu, Songtao and Dai, Hanjun and Zhao, Yue and Liu, Peng
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Molecule synthesis through machine learning is one of the fundamental problems in drug discovery. Current data-driven strategies employ one-step retrosynthesis models and search algorithms to predict synthetic routes in a top-bottom manner. Despite their effective performance, these strategies face limitations in the molecule synthetic route generation due to a greedy selection of the next molecule set without any lookahead. Furthermore, existing strategies cannot control the generation of synthetic routes based on possible criteria such as material costs, yields, and step count. In this work, we propose a general and principled framework via conditional residual energy-based models (EBMs), that focus on the quality of the entire synthetic route based on the specific criteria. By incorporating an additional energy-based function into our probabilistic model, our proposed algorithm can enhance the quality of the most probable synthetic routes (with higher probabilities) generated by various strategies in a plug-and-play fashion. Extensive experiments demonstrate that our framework can consistently boost performance across various strategies and outperforms previous state-of-the-art top-1 accuracy by a margin of 2.5%. Code is available at https://github.com/SongtaoLiu0823/CREBM.
PEARL: Zero-shot Cross-task Preference Alignment and Robust Reward Learning for Robotic Manipulation
Authors: Liu, Runze and Du, Yali and Bai, Fengshuo and Lyu, Jiafei and Li, Xiu
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: In preference-based Reinforcement Learning (RL), obtaining a large number of preference labels are both time-consuming and costly. Furthermore, the queried human preferences cannot be utilized for the new tasks. In this paper, we propose Zero-shot Cross-task Preference Alignment and Robust Reward Learning (PEARL), which learns policies from cross-task preference transfer without any human labels of the target task. Our contributions include two novel components that facilitate the transfer and learning process. The first is Cross-task Preference Alignment (CPA), which transfers the preferences between tasks via optimal transport. The key idea of CPA is to use Gromov-Wasserstein distance to align the trajectories between tasks, and the solved optimal transport matrix serves as the correspondence between trajectories. The target task preferences are computed as the weighted sum of source task preference labels with the correspondence as weights. Moreover, to ensure robust learning from these transferred labels, we introduce Robust Reward Learning (RRL), which considers both reward mean and uncertainty by modeling rewards as Gaussian distributions. Empirical results on robotic manipulation tasks from Meta-World and Robomimic demonstrate that our method is capable of transferring preference labels across tasks accurately and then learns well-behaved policies. Notably, our approach significantly exceeds existing methods when there are few human preferences. The code and videos of our method are available at: https://sites.google.com/view/pearl-preference.
Harnessing the Power of Neural Operators with Automatically Encoded Conservation Laws
Authors: Liu, Ning and Fan, Yiming and Zeng, Xianyi and Klöwer, Milan and Zhang, Lu and Yu, Yue
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Neural operators (NOs) have emerged as effective tools for modeling complex physical systems in scientific machine learning. In NOs, a central characteristic is to learn the governing physical laws directly from data. In contrast to other machine learning applications, partial knowledge is often known a priori about the physical system at hand whereby quantities such as mass, energy and momentum are exactly conserved. Currently, NOs have to learn these conservation laws from data and can only approximately satisfy them due to finite training data and random noise. In this work, we introduce conservation law-encoded neural operators (clawNOs), a suite of NOs that endow inference with automatic satisfaction of such conservation laws. ClawNOs are built with a divergence-free prediction of the solution field, with which the continuity equation is automatically guaranteed. As a consequence, clawNOs are compliant with the most fundamental and ubiquitous conservation laws essential for correct physical consistency. As demonstrations, we consider a wide variety of scientific applications ranging from constitutive modeling of material deformation, incompressible fluid dynamics, to atmospheric simulation. ClawNOs significantly outperform the state-of-the-art NOs in learning efficacy, especially in small-data regimes.
Mitigating Privacy Risk in Membership Inference by Convex-Concave Loss
Authors: Liu, Zhenlong and Feng, Lei and Zhuang, Huiping and Cao, Xiaofeng and Wei, Hongxin
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Machine learning models are susceptible to membership inference attacks (MIAs), which aim to infer whether a sample is in the training set. Existing work utilizes gradient ascent to enlarge the loss variance of training data, alleviating the privacy risk. However, optimizing toward a reverse direction may cause the model parameters to oscillate near local minima, leading to instability and suboptimal performance. In this work, we propose a novel method – Convex Concave Loss (CCL), which enables a high variance of training loss distribution by gradient descent. Our method is motivated by the theoretical analysis that convex losses tend to decrease the loss variance during training. Thus, our key idea behind CCL is to reduce the convexity of loss functions with a concave term. Trained with CCL, neural networks produce losses with high variance for training data, reinforcing the defense against MIAs. Extensive experiments demonstrate the superiority of CCL, achieving a state-of-the-art balance in the privacy-utility trade-off.
Decoding-time Realignment of Language Models
Authors: Liu, Tianlin and Guo, Shangmin and Bianco, Leonardo and Calandriello, Daniele and Berthet, Quentin and Llinares-López, Felipe and Hoffmann, Jessica and Dixon, Lucas and Valko, Michal and Blondel, Mathieu
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Aligning language models with human preferences is crucial for reducing errors and biases in these models. Alignment techniques, such as reinforcement learning from human feedback (RLHF), are typically cast as optimizing a tradeoff between human preference rewards and a proximity regularization term that encourages staying close to the unaligned model. Selecting an appropriate level of regularization is critical: insufficient regularization can lead to reduced model capabilities due to reward hacking, whereas excessive regularization hinders alignment. Traditional methods for finding the optimal regularization level require retraining multiple models with varying regularization strengths. This process, however, is resource-intensive, especially for large models. To address this challenge, we propose decoding-time realignment (DeRa), a simple method to explore and evaluate different regularization strengths in aligned models without retraining. DeRa enables control over the degree of alignment, allowing users to smoothly transition between unaligned and aligned models. It also enhances the efficiency of hyperparameter tuning by enabling the identification of effective regularization strengths using a validation dataset.
DIDI: Diffusion-Guided Diversity for Offline Behavioral Generation
Authors: Liu, Jinxin and Guo, Xinghong and Zhuang, Zifeng and Wang, Donglin
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: In this paper, we propose a novel approach called DIffusion-guided DIversity (DIDI) for offline behavioral generation. The goal of DIDI is to learn a diverse set of skills from a mixture of label-free offline data. We achieve this by leveraging diffusion probabilistic models as priors to guide the learning process and regularize the policy. By optimizing a joint objective that incorporates diversity and diffusion-guided regularization, we encourage the emergence of diverse behaviors while maintaining the similarity to the offline data. Experimental results in four decision-making domains (Push, Kitchen, Humanoid, and D4RL tasks) show that DIDI is effective in discovering diverse and discriminative skills. We also introduce skill stitching and skill interpolation, which highlight the generalist nature of the learned skill space. Further, by incorporating an extrinsic reward function, DIDI enables reward-guided behavior generation, facilitating the learning of diverse and optimal behaviors from sub-optimal data.
Bidirectional Reciprocative Information Communication for Few-Shot Semantic Segmentation
Authors: Liu, Yuanwei and Han, Junwei and Yao, Xiwen and Khan, Salman and Cholakkal, Hisham and Anwer, Rao Muhammad and Liu, Nian and Khan, Fahad Shahbaz
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Existing few-shot semantic segmentation methods typically rely on a one-way flow of category information from support to query, ignoring the impact of intra-class diversity. To address this, drawing inspiration from cybernetics, we introduce a Query Feedback Branch (QFB) to propagate query information back to support, generating a query-related support prototype that is more aligned with the query. Subsequently, a Query Amplifier Branch (QAB) is employed to amplify target objects in the query using the acquired support prototype. To further improve the model, we propose a Query Rectification Module (QRM), which utilizes the prediction disparity in the query before and after support activation to identify challenging positive and negative samples from ambiguous regions for query self-rectification. Furthermore, we integrate the QFB, QAB, and QRM into a feedback and rectification layer and incorporate it into an iterative pipeline. This configuration enables the progressive enhancement of bidirectional reciprocative flow of category information between query and support, effectively providing query-adaptive support information and addressing the intra-class diversity problem. Extensive experiments conducted on both PASCAL-5i and COCO-20i datasets validate the effectiveness of our approach. The code is available at https://github.com/LIUYUANWEI98/IFRNet .
Unlock the Cognitive Generalization of Deep Reinforcement Learning via Granular Ball Representation
Authors: Liu, Jiashun and Hao, Jianye and Ma, Yi and Xia, Shuyin
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: The policies learned by humans in simple scenarios can be deployed in complex scenarios with the same task logic through limited feature alignment training, a process referred to as cognitive generalization or systematic generalization. Thus, a plausible conjecture is that unlocking cognitive generalization in DRL could enable effective generalization of policies from simple to complex scenarios through reward-agnostic fine-tuning. This would eliminate the need for designing reward functions in complex scenarios, thus reducing environment-building costs. In this paper, we propose a general framework to enhance the cognitive generalization ability of standard DRL methods. Our framework builds a cognitive latent space in a simple scenario, then segments the latent space to cluster samples with similar environmental influences into same subregion. During the fine-tuning in the complex scenario, the policy uses cognitive latent space to align the new sample with the same subregion sample collected from the simple scenario and approximates the rewards and Q values of the new samples for policy update. Based on this framework, we propose <em>Granular Ball Reinforcement Leaning</em> (GBRL), a practical algorithm via Variational Autoencoder (VAE) and Granular Ball Representation. GBRL achieves effective policy generalization on various difficult scenarios with the same task logic.
PAPM: A Physics-aware Proxy Model for Process Systems
Authors: Liu, Pengwei and Hao, Zhongkai and Ren, Xingyu and Yuan, Hangjie and Ren, Jiayang and Ni, Dong
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: In the context of proxy modeling for process systems, traditional data-driven deep learning approaches frequently encounter significant challenges, such as substantial training costs induced by large amounts of data, and limited generalization capabilities. As a promising alternative, physics-aware models incorporate partial physics knowledge to ameliorate these challenges. Although demonstrating efficacy, they fall short in terms of exploration depth and universality. To address these shortcomings, we introduce a <b>p</b>hysics-<b>a</b>ware <b>p</b>roxy <b>m</b>odel (<b>PAPM</b>) that fully incorporates partial prior physics of process systems, which includes multiple input conditions and the general form of conservation relations, resulting in better out-of-sample generalization. Additionally, PAPM contains a holistic temporal-spatial stepping module for flexible adaptation across various process systems. Through systematic comparisons with state-of-the-art pure data-driven and physics-aware models across five two-dimensional benchmarks in nine generalization tasks, PAPM notably achieves an average performance improvement of 6.7%, while requiring fewer FLOPs, and just 1% of the parameters compared to the prior leading method.
ELTA: An Enhancer against Long-Tail for Aesthetics-oriented Models
Authors: Liu, Limin and He, Shuai and Ming, Anlong and Xie, Rui and Ma, Huadong
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Real-world datasets often exhibit long-tailed distributions, compromising the generalization and fairness of learning-based models. This issue is particularly pronounced in Image Aesthetics Assessment (IAA) tasks, where such imbalance is difficult to mitigate due to a severe distribution mismatch between features and labels, as well as the great sensitivity of aesthetics to image variations. To address these issues, we propose an Enhancer against Long-Tail for Aesthetics-oriented models (ELTA). ELTA first utilizes a dedicated mixup technique to enhance minority feature representation in high-level space while preserving their intrinsic aesthetic qualities. Next, it aligns features and labels through a similarity consistency approach, effectively alleviating the distribution mismatch. Finally, ELTA adopts a specific strategy to refine the output distribution, thereby enhancing the quality of pseudo-labels. Experiments on four representative datasets (AVA, AADB, TAD66K, and PARA) show that our proposed ELTA achieves state-of-the-art performance by effectively mitigating the long-tailed issue in IAA datasets. Moreover, ELTA is designed with plug-and-play capabilities for seamless integration with existing methods. To our knowledge, this is the first contribution in the IAA community addressing long-tail. All resources are available in here.
On the Feasibility of Single-Pass Full-Capacity Learning in Linear Threshold Neurons with Binary Input Vectors
Authors: Liu, Ruipeng and He, Borui and Tahir, Naveed and Katz, Garrett Ethan
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Known learning rules tend to fall near one of two extremes: single-pass associative learning with low complexity and capacity, and multi-pass iterative learning with high complexity and capacity. In this work we investigate the mathematical feasibility of learning rules that are both single-pass and achieve the theoretical upper bound on capacity. We consider a fairly broad family of learning rules we call “span rules,” which include known rules such as Hebbian learning, perceptron learning, and backpropagation as special cases. To our knowledge, previous work has not determined whether single-pass, full-capacity span rules exist, even in the most fundamental case of a linear threshold neuron with binary input vectors, which is the focus of this study. We derive a necessary condition for the existence of such learning rules, which takes the form of a linear program, and show that the linear program is infeasible. This establishes an impossibility result that span rules can not be both single-pass and full-capacity.
Online Speculative Decoding
Authors: Liu, Xiaoxuan and Hu, Lanxiang and Bailis, Peter and Cheung, Alvin and Deng, Zhijie and Stoica, Ion and Zhang, Hao
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Speculative decoding is a pivotal technique to accelerate the inference of large language models (LLMs) by employing a smaller draft model to predict the target model’s outputs. However, its efficacy can be limited due to the low predictive accuracy of the draft model, particularly when faced with diverse text inputs and a significant capability gap between the draft and target models. We introduce online speculative decoding to address this challenge. The main idea is to continuously update the (multiple) draft model(s) on observed user query data. Adapting to query distribution mitigates the shifts between the training distribution of the draft model and the query distribution, enabling the draft model to more accurately predict the target model’s outputs. We develop a prototype of online speculative decoding based on knowledge distillation and evaluate it using both synthetic and real query data. The results show a substantial increase in the token acceptance rate by 0.1 to 0.65, bringing 1.42x to 2.17x latency reduction. Our code is available at https://github.com/LiuXiaoxuanPKU/OSD.
Tuning-free Estimation and Inference of Cumulative Distribution Function under Local Differential Privacy
Authors: Liu, Yi and Hu, Qirui and Kong, Linglong
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: We introduce a novel algorithm for estimating Cumulative Distribution Function (CDF) values under Local Differential Privacy (LDP) by exploiting an unexpected connection between LDP and the current status problem, a classical survival data problem in statistics. This connection leads to the development of tools for constrained isotonic estimation based on binary queries. Through mathematical proofs and extensive numerical testing, we demonstrate that our method achieves uniform and $L_2$ error bounds when estimating the entire CDF curve. By employing increasingly dense grids, the error bound can be improved, exhibiting an asymptotic normal distribution of the proposed estimator. Theoretically, we show that the error bound smoothly changes as the number of grids increases relative to the sample size $n$. Computationally, we demonstrate that our constrained isotonic estimator can be efficiently computed deterministically, eliminating the need for hyperparameters or random optimization.
Referee Can Play: An Alternative Approach to Conditional Generation via Model Inversion
Authors: Liu, Xuantong and Hu, Tianyang and Wang, Wenjia and Kawaguchi, Kenji and Yao, Yuan
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: As a dominant force in text-to-image generation tasks, Diffusion Probabilistic Models (DPMs) face a critical challenge in controllability, struggling to adhere strictly to complex, multi-faceted instructions. In this work, we aim to address this alignment challenge for conditional generation tasks. First, we provide an alternative view of state-of-the-art DPMs as a way of inverting advanced Vision-Language Models (VLMs). With this formulation, we naturally propose a training-free approach that bypasses the conventional sampling process associated with DPMs. By directly optimizing images with the supervision of discriminative VLMs, the proposed method can potentially achieve a better text-image alignment. As proof of concept, we demonstrate the pipeline with the pre-trained BLIP-2 model and identify several key designs for improved image generation. To further enhance the image fidelity, a Score Distillation Sampling module of Stable Diffusion is incorporated. By carefully balancing the two components during optimization, our method can produce high-quality images with near state-of-the-art performance on T2I-Compbench. The code is available at https://github.com/Pepper-lll/VLMinv.
Reason for Future, Act for Now: A Principled Architecture for Autonomous LLM Agents
Authors: Liu, Zhihan and Hu, Hao and Zhang, Shenao and Guo, Hongyi and Ke, Shuqi and Liu, Boyi and Wang, Zhaoran
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Large language models (LLMs) demonstrate impressive reasoning abilities, but translating reasoning into actions in the real world remains challenging. In particular, it is unclear how to complete a given task provably within a minimum number of interactions with the external environment, e.g., through an internal mechanism of reasoning. To this end, we propose the first framework with provable regret guarantees to orchestrate reasoning and acting, which we call <em>reason for future, act for now</em> (<b>RAFA</b>). Specifically, we design a prompt template for reasoning that learns from the memory buffer and plans a future trajectory over a long horizon (<em>reason for future</em>). At each step, the LLM agent takes the initial action of the planned trajectory (<em>act for now</em>), stores the collected feedback in the memory buffer, and reinvokes the reasoning routine to replan the future trajectory from the new state. The key idea is to cast reasoning in LLMs as learning and planning in Bayesian adaptive Markov decision processes (MDPs). Correspondingly, we prompt LLMs with the memory buffer to estimate the unknown environment (learning) and generate an optimal trajectory for multiple future steps that maximize a value function (planning). The learning and planning subroutines are performed in an in-context manner to emulate the actor-critic update for MDPs. Our theoretical analysis establishes a $\sqrtT$ regret, while our experimental validation demonstrates superior empirical performance.
Weakly-Supervised Residual Evidential Learning for Multi-Instance Uncertainty Estimation
Authors: Liu, Pei and Ji, Luping
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Uncertainty estimation (UE), as an effective means of quantifying predictive uncertainty, is crucial for safe and reliable decision-making, especially in high-risk scenarios. Existing UE schemes usually assume that there are completely-labeled samples to support fully-supervised learning. In practice, however, many UE tasks often have no sufficiently-labeled data to use, such as the Multiple Instance Learning (MIL) with only weak instance annotations. To bridge this gap, this paper, for the first time, addresses the weakly-supervised issue of <em>Multi-Instance UE</em> (MIUE) and proposes a new baseline scheme, <em>Multi-Instance Residual Evidential Learning</em> (MIREL). Particularly, at the fine-grained instance UE with only weak supervision, we derive a multi-instance residual operator through the Fundamental Theorem of Symmetric Functions. On this operator derivation, we further propose MIREL to jointly model the high-order predictive distribution at bag and instance levels for MIUE. Extensive experiments empirically demonstrate that our MIREL not only could often make existing MIL networks perform better in MIUE, but also could surpass representative UE methods by large margins, especially in instance-level UE tasks. Our source code is available at https://github.com/liupei101/MIREL.
StyDeSty: Min-Max Stylization and Destylization for Single Domain Generalization
Authors: Liu, Songhua and Jin, Xin and Yang, Xingyi and Ye, Jingwen and Wang, Xinchao
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Single domain generalization (single DG) aims at learning a robust model generalizable to unseen domains from only one training domain, making it a highly ambitious and challenging task. State-of-the-art approaches have mostly relied on data augmentations, such as adversarial perturbation and style enhancement, to synthesize new data and thus increase robustness. Nevertheless, they have largely overlooked the underlying coherence between the augmented domains, which in turn leads to inferior results in real-world scenarios. In this paper, we propose a simple yet effective scheme, termed as <em>StyDeSty</em>, to explicitly account for the alignment of the source and pseudo domains in the process of data augmentation, enabling them to interact with each other in a self-consistent manner and further giving rise to a latent domain with strong generalization power. The heart of StyDeSty lies in the interaction between a <em>stylization</em> module for generating novel stylized samples using the source domain, and a <em>destylization</em> module for transferring stylized and source samples to a latent domain to learn content-invariant features. The stylization and destylization modules work adversarially and reinforce each other. During inference, the destylization module transforms the input sample with an arbitrary style shift to the latent domain, in which the downstream tasks are carried out. Specifically, the location of the destylization layer within the backbone network is determined by a dedicated neural architecture search (NAS) strategy. We evaluate StyDeSty on multiple benchmarks and demonstrate that it yields encouraging results, outperforming the state of the art by up to 13.44% on classification accuracy. Codes are available https://github.com/Huage001/StyDeSty.
Time-Series Forecasting for Out-of-Distribution Generalization Using Invariant Learning
Authors: Liu, Haoxin and Kamarthi, Harshavardhan and Kong, Lingkai and Zhao, Zhiyuan and Zhang, Chao and Prakash, B. Aditya
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Time-series forecasting (TSF) finds broad applications in real-world scenarios. Due to the dynamic nature of time-series data, it is crucial for TSF models to preserve out-of-distribution (OOD) generalization abilities, as training and test sets represent historical and future data respectively. In this paper, we aim to alleviate the inherent OOD problem in TSF via invariant learning. We identify fundamental challenges of invariant learning for TSF. First, the target variables in TSF may not be sufficiently determined by the input due to unobserved core variables in TSF, breaking the fundamental assumption of invariant learning. Second, time-series datasets lack adequate environment labels, while existing environmental inference methods are not suitable for TSF. To address these challenges, we propose FOIL, a model-agnostic framework that endows time-series forecasting for out-of-distribution generalization via invariant learning. Specifically, FOIL employs a novel surrogate loss to mitigate the impact of unobserved variables. Further, FOIL implements joint optimization by alternately inferring environments effectively with a multi-head network while preserving the temporal adjacency structure and learning invariant representations across inferred environments for OOD generalized TSF. Extensive experiments demonstrate that the proposed FOIL significantly and consistently improves the performance of various TSF models, achieving gains of up to 85%.
Stereo Risk: A Continuous Modeling Approach to Stereo Matching
Authors: Liu, Ce and Kumar, Suryansh and Gu, Shuhang and Timofte, Radu and Yao, Yao and Gool, Luc Van
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: We introduce Stereo Risk, a new deep-learning approach to solve the classical stereo-matching problem in computer vision. As it is well-known that stereo matching boils down to a per-pixel disparity estimation problem, the popular state-of-the-art stereo-matching approaches widely rely on regressing the scene disparity values, yet via discretization of scene disparity values. Such discretization often fails to capture the nuanced, continuous nature of scene depth. Stereo Risk departs from the conventional discretization approach by formulating the scene disparity as an optimal solution to a continuous risk minimization problem, hence the name "stereo risk". We demonstrate that $L^1$ minimization of the proposed continuous risk function enhances stereo-matching performance for deep networks, particularly for disparities with multi-modal probability distributions. Furthermore, to enable the end-to-end network training of the non-differentiable $L^1$ risk optimization, we exploited the implicit function theorem, ensuring a fully differentiable network. A comprehensive analysis demonstrates our method’s theoretical soundness and superior performance over the state-of-the-art methods across various benchmark datasets, including KITTI 2012, KITTI 2015, ETH3D, SceneFlow, and Middlebury 2014.
Multi-Source Conformal Inference Under Distribution Shift
Authors: Liu, Yi and Levis, Alexander and Normand, Sharon-Lise and Han, Larry
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Recent years have experienced increasing utilization of complex machine learning models across multiple sources of data to inform more generalizable decision-making. However, distribution shifts across data sources and privacy concerns related to sharing individual-level data, coupled with a lack of uncertainty quantification from machine learning predictions, make it challenging to achieve valid inferences in multi-source environments. In this paper, we consider the problem of obtaining distribution-free prediction intervals for a target population, leveraging multiple potentially biased data sources. We derive the efficient influence functions for the quantiles of unobserved outcomes in the target and source populations, and show that one can incorporate machine learning prediction algorithms in the estimation of nuisance functions while still achieving parametric rates of convergence to nominal coverage probabilities. Moreover, when conditional outcome invariance is violated, we propose a data-adaptive strategy to upweight informative data sources for efficiency gain and downweight non-informative data sources for bias reduction. We highlight the robustness and efficiency of our proposals for a variety of conformal scores and data-generating mechanisms via extensive synthetic experiments. Hospital length of stay prediction intervals for pediatric patients undergoing a high-risk cardiac surgical procedure between 2016-2022 in the U.S. illustrate the utility of our methodology.
From Generalization Analysis to Optimization Designs for State Space Models
Authors: Liu, Fusheng and Li, Qianxiao
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: A State Space Model (SSM) is a foundation model in time series analysis, which has recently been shown as an alternative to transformers in sequence modeling. In this paper, we theoretically study the generalization of SSMs and propose improvements to training algorithms based on the generalization results. Specifically, we give a <em>data-dependent</em> generalization bound for SSMs, showing an interplay between the SSM parameters and the temporal dependencies of the training sequences. Leveraging the generalization bound, we (1) set up a scaling rule for model initialization based on the proposed generalization measure, which significantly improves the robustness of the output value scales on SSMs to different temporal patterns in the sequence data; (2) introduce a new regularization method for training SSMs to enhance the generalization performance. Numerical results are conducted to validate our results.
Adaptive Advantage-Guided Policy Regularization for Offline Reinforcement Learning
Authors: Liu, Tenglong and Li, Yang and Lan, Yixing and Gao, Hao and Pan, Wei and Xu, Xin
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: In offline reinforcement learning, the challenge of out-of-distribution (OOD) is pronounced. To address this, existing methods often constrain the learned policy through policy regularization. However, these methods often suffer from the issue of unnecessary conservativeness, hampering policy improvement. This occurs due to the indiscriminate use of all actions from the behavior policy that generates the offline dataset as constraints. The problem becomes particularly noticeable when the quality of the dataset is suboptimal. Thus, we propose Adaptive Advantage-guided Policy Regularization (A2PR), obtaining high-advantage actions from an augmented behavior policy combined with VAE to guide the learned policy. A2PR can select high-advantage actions that differ from those present in the dataset, while still effectively maintaining conservatism from OOD actions. This is achieved by harnessing the VAE capacity to generate samples matching the distribution of the data points. We theoretically prove that the improvement of the behavior policy is guaranteed. Besides, it effectively mitigates value overestimation with a bounded performance gap. Empirically, we conduct a series of experiments on the D4RL benchmark, where A2PR demonstrates state-of-the-art performance. Furthermore, experimental results on additional suboptimal mixed datasets reveal that A2PR exhibits superior performance. Code is available at https://github.com/ltlhuuu/A2PR.
Two-timescale Derivative Free Optimization for Performative Prediction with Markovian Data
Authors: Liu, Haitong and Li, Qiang and Wai, Hoi To
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: This paper studies the performative prediction problem where a learner aims to minimize the expected loss with a decision-dependent data distribution. Such setting is motivated when outcomes can be affected by the prediction model, e.g., in strategic classification. We consider a state-dependent setting where the data distribution evolves according to an underlying controlled Markov chain. We focus on stochastic derivative free optimization (DFO) where the learner is given access to a loss function evaluation oracle with the above Markovian data. We propose a two-timescale DFO($łambda$) algorithm that features (i) a sample accumulation mechanism that utilizes every observed sample to estimate the overall gradient of performative risk, and (ii) a two-timescale diminishing step size that balances the rates of DFO updates and bias reduction. Under a general non-convex optimization setting, we show that DFO($łambda$) requires $a̧l O( 1 /ε^3)$ samples (up to a log factor) to attain a near-stationary solution with expected squared gradient norm less than $ε > 0$. Numerical experiments verify our analysis.
Short-Long Convolutions Help Hardware-Efficient Linear Attention to Focus on Long Sequences
Authors: Liu, Zicheng and Li, Siyuan and Wang, Li and Wang, Zedong and Liu, Yunfan and Li, Stan Z.
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: To mitigate the computational complexity in the self-attention mechanism on long sequences, linear attention utilizes computation tricks to achieve linear complexity, while state space models (SSMs) popularize a favourable practice of using non-data-dependent memory pattern, <em>i.e.,</em> emphasize the near and neglect the distant, to processing sequences. Recent studies have shown the priorities by combining them as one. However, the efficiency of linear attention remains only at the theoretical level in a causal setting, and SSMs require various designed constraints to operate effectively on specific data. Therefore, in order to unveil the true power of the hybrid design, the following two issues need to be addressed: (1) hardware-efficient implementation for linear attention and (2) stabilization of SSMs. To achieve this, we leverage the thought of tiling and hierarchy to propose CHELA (short-long Convolutions with Hardware-Efficient Linear Attention), which replaces SSMs with short-long convolutions and implements linear attention in a divide-and-conquer manner. This approach enjoys global abstraction and data-dependent selection from stable SSM and linear attention while maintaining real linear complexity. Our comprehensive experiments on the Long Range Arena benchmark and language modeling tasks demonstrate the effectiveness of the proposed method.
Differentiable Combinatorial Scheduling at Scale
Authors: Liu, Mingju and Li, Yingjie and Yin, Jiaqi and Zhang, Zhiru and Yu, Cunxi
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: This paper addresses the complex issue of resource-constrained scheduling, an NP-hard problem that spans critical areas including chip design and high-performance computing. Traditional scheduling methods often stumble over scalability and applicability challenges. We propose a novel approach using a differentiable combinatorial scheduling framework, utilizing Gumbel-Softmax differentiable sampling technique. This new technical allows for a fully differentiable formulation of linear programming (LP) based scheduling, extending its application to a broader range of LP formulations. To encode inequality constraints for scheduling tasks, we introduce <em>constrained Gumbel Trick</em>, which adeptly encodes arbitrary inequality constraints. Consequently, our method facilitates an efficient and scalable scheduling via gradient descent without the need for training data. Comparative evaluations on both synthetic and real-world benchmarks highlight our capability to significantly improve the optimization efficiency of scheduling, surpassing state-of-the-art solutions offered by commercial and open-source solvers such as CPLEX, Gurobi, and CP-SAT in the majority of the designs.
Characterizing ResNet’s Universal Approximation Capability
Authors: Liu, Chenghao and Liang, Enming and Chen, Minghua
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Since its debut in 2016, ResNet has become arguably the most favorable architecture in deep neural network (DNN) design. It effectively addresses the gradient vanishing/exploding issue in DNN training, allowing engineers to fully unleash DNN’s potential in tackling challenging problems in various domains. Despite its practical success, an essential theoretical question remains largely open: how well/best can ResNet approximate functions? In this paper, we answer this question for several important function classes, including polynomials and smooth functions. In particular, we show that ResNet with constant width can approximate Lipschitz continuous function with a Lipschitz constant $μ$ using $\mathcalO(c(d)(ɛ/μ)^-d/2)$ tunable weights, where $c(d)$ is a constant depending on the input dimension $d$ and $ε>0$ is the target approximation error. Further, we extend such a result to Lebesgue-integrable functions with the upper bound characterized by the modulus of continuity. These results indicate a factor of $d$ reduction in the number of tunable weights compared with the classical results for ReLU networks. Our results are also order-optimal in $ɛ$, thus achieving optimal approximation rate, as they match a generalized lower bound derived in this paper. This work adds to the theoretical justifications for ResNet’s stellar practical performance.
Convergence of Online Learning Algorithm for a Mixture of Multiple Linear Regressions
Authors: Liu, Yujing and Liu, Zhixin and Guo, Lei
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: This paper considers the parameter learning and data clustering problem for MLR with multiple sub-models and arbitrary mixing weights. To deal with the data streaming case, we propose an online learning algorithm to estimate the unknown parameters. By utilizing Ljung’s ODE method, we establish the almost sure convergence results of this MLR problem without the traditional i.i.d. assumption on the input data for the first time. Based on the convergence property and using the classical stochastic Lyapunov function method, we also obtain the convergence rate analysis of the proposed algorithm for the first time. In addition, the data clustering can asymptotically achieve the same performance as the case with known parameters. Future work will consider how to relax the asymptotically stationary and ergodic assumption on the input data, and how to design algorithms with global convergence performance for the MLR problem.
Energy-Guided Diffusion Sampling for Offline-to-Online Reinforcement Learning
Authors: Liu, Xu-Hui and Liu, Tian-Shuo and Jiang, Shengyi and Chen, Ruifeng and Zhang, Zhilong and Chen, Xinwei and Yu, Yang
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Combining offline and online reinforcement learning (RL) techniques is indeed crucial for achieving efficient and safe learning where data acquisition is expensive. Existing methods replay offline data directly in the online phase, resulting in a significant challenge of data distribution shift and subsequently causing inefficiency in online fine-tuning. To address this issue, we introduce an innovative approach, <b>E</b>nergy-guided <b>DI</b>ffusion <b>S</b>ampling (EDIS), which utilizes a diffusion model to extract prior knowledge from the offline dataset and employs energy functions to distill this knowledge for enhanced data generation in the online phase. The theoretical analysis demonstrates that EDIS exhibits reduced suboptimality compared to solely utilizing online data or directly reusing offline data. EDIS is a plug-in approach and can be combined with existing methods in offline-to-online RL setting. By implementing EDIS to off-the-shelf methods Cal-QL and IQL, we observe a notable 20% average improvement in empirical performance on MuJoCo, AntMaze, and Adroit environments. Code is available at https://github.com/liuxhym/EDIS.
Moreau Envelope for Nonconvex Bi-Level Optimization: A Single-Loop and Hessian-Free Solution Strategy
Authors: Liu, Risheng and Liu, Zhu and Yao, Wei and Zeng, Shangzhi and Zhang, Jin
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: This work focuses on addressing two major challenges in the context of large-scale nonconvex Bi-Level Optimization (BLO) problems, which are increasingly applied in machine learning due to their ability to model nested structures. These challenges involve ensuring computational efficiency and providing theoretical guarantees. While recent advances in scalable BLO algorithms have primarily relied on lower-level convexity simplification, our work specifically tackles large-scale BLO problems involving nonconvexity in both the upper and lower levels. We simultaneously address computational and theoretical challenges by introducing an innovative single-loop gradient-based algorithm, utilizing the Moreau envelope-based reformulation, and providing non-asymptotic convergence analysis for general nonconvex BLO problems. Notably, our algorithm relies solely on first-order gradient information, enhancing its practicality and efficiency, especially for large-scale BLO learning tasks. We validate our approach’s effectiveness through experiments on various synthetic problems, two typical hyper-parameter learning tasks, and a real-world neural architecture search application, collectively demonstrating its superior performance.