mtybilly/Instruct2DS huggingface dataset:
BadPart: Unified Black-box Adversarial Patch Attacks against Pixel-wise Regression Tasks
Authors: Cheng, Zhiyuan and Liu, Zhaoyi and Guo, Tengda and Feng, Shiwei and Liu, Dongfang and Tang, Mingjie and Zhang, Xiangyu
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: 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.
GaussianPro: 3D Gaussian Splatting with Progressive Propagation
Authors: Cheng, Kai and Long, Xiaoxiao and Yang, Kaizhi and Yao, Yao and Yin, Wei and Ma, Yuexin and Wang, Wenping and Chen, Xuejin
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: 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.
Characterizing Overfitting in Kernel Ridgeless Regression Through the Eigenspectrum
Authors: Cheng, Tin Sum and Lucchi, Aurelien and Kratsios, Anastasis and Belius, David
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: We derive new bounds for the condition number of kernel matrices, which we then use to enhance existing non-asymptotic test error bounds for kernel ridgeless regression in the over-parameterized regime for a fixed input dimension. For kernels with polynomial spectral decay, we recover the bound from previous work; for exponential decay, our bound is non-trivial and novel. Our conclusion is two-fold: (i) kernel regressors whose eigenspectrum decays polynomially must generalize well, even in the presence of noisy labeled training data; these models exhibit so-called tempered overfitting; (ii) if the eigenspectrum of any kernel ridge regressor decays exponentially, then it generalizes poorly, i.e., it exhibits catastrophic overfitting. This adds to the available characterization of kernel ridge regressors exhibiting benign overfitting as the extremal case where the eigenspectrum of the kernel decays sub-polynomially. Our analysis combines new random matrix theory (RMT) techniques with recent tools in the kernel ridge regression (KRR) literature.
Efficient Black-box Adversarial Attacks via Bayesian Optimization Guided by a Function Prior
Authors: Cheng, Shuyu and Miao, Yibo and Dong, Yinpeng and Yang, Xiao and Gao, Xiao-Shan and Zhu, Jun
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: This paper studies the challenging black-box adversarial attack that aims to generate adversarial examples against a black-box model by only using output feedback of the model to input queries. Some previous methods improve the query efficiency by incorporating the gradient of a surrogate white-box model into query-based attacks due to the adversarial transferability. However, the localized gradient is not informative enough, making these methods still query-intensive. In this paper, we propose a Prior-guided Bayesian Optimization (P-BO) algorithm that leverages the surrogate model as a global function prior in black-box adversarial attacks. As the surrogate model contains rich prior information of the black-box one, P-BO models the attack objective with a Gaussian process whose mean function is initialized as the surrogate model’s loss. Our theoretical analysis on the regret bound indicates that the performance of P-BO may be affected by a bad prior. Therefore, we further propose an adaptive integration strategy to automatically adjust a coefficient on the function prior by minimizing the regret bound. Extensive experiments on image classifiers and large vision-language models demonstrate the superiority of the proposed algorithm in reducing queries and improving attack success rates compared with the state-of-the-art black-box attacks. Code is available at https://github.com/yibo-miao/PBO-Attack.
Can AI Assistants Know What They Don’t Know?
Authors: Cheng, Qinyuan and Sun, Tianxiang and Liu, Xiangyang and Zhang, Wenwei and Yin, Zhangyue and Li, Shimin and Li, Linyang and He, Zhengfu and Chen, Kai and Qiu, Xipeng
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: AI assistants powered by Large Language Models (LLMs) have demonstrated impressive performance in various tasks. However, LLMs still make factual errors in knowledge-intensive tasks such as open-domain question answering. These untruthful responses from AI assistants can pose significant risks in practical applications. Therefore, in this paper, we ask the question <b>Can AI assistants know what they don’t know and express this awareness through natural language?</b> To investigate this, we construct a model-specific "I don’t know" (Idk) dataset. This dataset includes Supervised Fine-tuning data and preference data, categorizing questions based on whether the assistant knows or does not know the answers. Then, we align the assistant with its corresponding Idk dataset using different alignment methods, including Supervised Fine-tuning and preference optimization. Experimental results show that, after alignment with the Idk dataset, the assistant is more capable of declining to answer questions outside its knowledge scope. The assistant aligned with the Idk dataset shows significantly higher truthfulness than the original assistant.
RICE: Breaking Through the Training Bottlenecks of Reinforcement Learning with Explanation
Authors: Cheng, Zelei and Wu, Xian and Yu, Jiahao and Yang, Sabrina and Wang, Gang and Xing, Xinyu
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: 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.
RIME: Robust Preference-based Reinforcement Learning with Noisy Preferences
Authors: Cheng, Jie and Xiong, Gang and Dai, Xingyuan and Miao, Qinghai and Lv, Yisheng and Wang, Fei-Yue
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: 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.
Kernel Semi-Implicit Variational Inference
Authors: Cheng, Ziheng and Yu, Longlin and Xie, Tianyu and Zhang, Shiyue and Zhang, Cheng
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: 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.
Creative Text-to-Audio Generation via Synthesizer Programming
Authors: Cherep, Manuel and Singh, Nikhil and Shand, Jessica
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: 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.
Leveraging (Biased) Information: Multi-armed Bandits with Offline Data
Authors: Cheung, Wang Chi and Lyu, Lixing
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: 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.
Language Models as Science Tutors
Authors: Chevalier, Alexis and Geng, Jiayi and Wettig, Alexander and Chen, Howard and Mizera, Sebastian and Annala, Toni and Aragon, Max and Fanlo, Arturo Rodriguez and Frieder, Simon and Machado, Simon and Prabhakar, Akshara and Thieu, Ellie and Wang, Jiachen T. and Wang, Zirui and Wu, Xindi and Xia, Mengzhou and Xia, Wenhan and Yu, Jiatong and Zhu, Junjie and Ren, Zhiyong and Arora, Sanjeev and Chen, Danqi
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: NLP has recently made exciting progress toward training language models (LMs) with strong scientific problem-solving skills. However, model development has not focused on real-life use-cases of LMs for science, including applications in education that require processing long scientific documents. To address this, we introduce TutorEval and TutorChat. TutorEval is a diverse question-answering benchmark consisting of questions about long chapters from STEM textbooks, written by experts. TutorEval helps measure real-life usability of LMs as scientific assistants, and it is the first benchmark combining long contexts, free-form generation, and multi-disciplinary scientific knowledge. Moreover, we show that fine-tuning base models with existing dialogue datasets leads to poor performance on TutorEval. Therefore, we create TutorChat, a dataset of 80,000 long synthetic dialogues about textbooks. We use TutorChat to fine-tune Llemma models with 7B and 34B parameters. These LM tutors specialized in math have a 32K-token context window, and they excel at TutorEval while performing strongly on GSM8K and MATH. Our datasets build on open-source materials, and we release our models, data, and evaluations publicly.
Expert Proximity as Surrogate Rewards for Single Demonstration Imitation Learning
Authors: Chiang, Chia-Cheng and Lan, Li-Cheng and Sun, Wei-Fang and Feng, Chien and Hsieh, Cho-Jui and Lee, Chun-Yi
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: 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.
Chatbot Arena: An Open Platform for Evaluating LLMs by Human Preference
Authors: Chiang, Wei-Lin and Zheng, Lianmin and Sheng, Ying and Angelopoulos, Anastasios Nikolas and Li, Tianle and Li, Dacheng and Zhu, Banghua and Zhang, Hao and Jordan, Michael and Gonzalez, Joseph E. and Stoica, Ion
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Large Language Models (LLMs) have unlocked new capabilities and applications; however, evaluating the alignment with human preferences still poses significant challenges. To address this issue, we introduce Chatbot Arena, an open platform for evaluating LLMs based on human preferences. Our methodology employs a pairwise comparison approach and leverages input from a diverse user base through crowdsourcing. The platform has been operational for several months, amassing over 240K votes. This paper describes the platform, analyzes the data we have collected so far, and explains the tried-and-true statistical methods we are using for efficient and accurate evaluation and ranking of models. We confirm that the crowdsourced questions are sufficiently diverse and discriminating and that the crowd-sourced human votes are in good agreement with those of expert raters. These analyses collectively establish a robust foundation for the credibility of Chatbot Arena. Because of its unique value and openness, Chatbot Arena has emerged as one of the most referenced LLM leaderboards, widely cited by leading LLM developers and companies. The platform is publicly available at https://chat.lmsys.org.
MS-TIP: Imputation Aware Pedestrian Trajectory Prediction
Authors: Chib, Pranav Singh and Nath, Achintya and Kabra, Paritosh and Gupta, Ishu and Singh, Pravendra
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: 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.
Enhancing Trajectory Prediction through Self-Supervised Waypoint Distortion Prediction
Authors: Chib, Pranav Singh and Singh, Pravendra
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: 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.
How Flawed Is ECE? An Analysis via Logit Smoothing
Authors: Chidambaram, Muthu and Lee, Holden and Mcswiggen, Colin and Rezchikov, Semon
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: 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 <em>continuous, easily estimated</em> miscalibration metric, which we term <em>Logit-Smoothed ECE (LS-ECE)</em>. 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.
Safe Exploration in Dose Finding Clinical Trials with Heterogeneous Participants
Authors: Chien, Isabel and Bruinsma, Wessel P and Gonzalez, Javier and Turner, Richard E.
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: In drug development, early phase dose-finding clinical trials are carried out to identify an optimal dose to administer to patients in larger confirmatory clinical trials. Standard trial procedures do not optimize for participant benefit and do not consider participant heterogeneity, despite consequences to participants’ health and downstream impacts to under-represented population subgroups. Many novel drugs also do not obey parametric modelling assumptions made in common dose-finding procedures. We present Safe Allocation for Exploration of Treatments SAFE-T, a procedure for adaptive dose-finding that adheres to safety constraints, improves utility for heterogeneous participants, and works well with small sample sizes. SAFE-T flexibly learns non-parametric multi-output Gaussian process models for dose toxicity and efficacy, using Bayesian optimization, and provides accurate final dose recommendations. We provide theoretical guarantees for the satisfaction of safety constraints. Using a comprehensive set of realistic synthetic scenarios, we demonstrate empirically that SAFE-T generally outperforms comparable methods and maintains performance across variations in sample size and subgroup distribution. Finally, we extend SAFE-T to a new adaptive setting, demonstrating its potential to improve traditional clinical trial procedures.
Prompting4Debugging: Red-Teaming Text-to-Image Diffusion Models by Finding Problematic Prompts
Authors: Chin, Zhi-Yi and Jiang, Chieh Ming and Huang, Ching-Chun and Chen, Pin-Yu and Chiu, Wei-Chen
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Text-to-image diffusion models, e.g. Stable Diffusion (SD), lately have shown remarkable ability in high-quality content generation, and become one of the representatives for the recent wave of transformative AI. Nevertheless, such advance comes with an intensifying concern about the misuse of this generative technology, especially for producing copyrighted or NSFW (i.e. not safe for work) images. Although efforts have been made to filter inappropriate images/prompts or remove undesirable concepts/styles via model fine-tuning, the reliability of these safety mechanisms against diversified problematic prompts remains largely unexplored. In this work, we propose <b>Prompting4Debugging (P4D)</b> as a debugging and red-teaming tool that automatically finds problematic prompts for diffusion models to test the reliability of a deployed safety mechanism. We demonstrate the efficacy of our P4D tool in uncovering new vulnerabilities of SD models with safety mechanisms. Particularly, our result shows that around half of prompts in existing safe prompting benchmarks which were originally considered "safe" can actually be manipulated to bypass many deployed safety mechanisms, including concept removal, negative prompt, and safety guidance. Our findings suggest that, without comprehensive testing, the evaluations on limited safe prompting benchmarks can lead to a false sense of safety for text-to-image models.
Peeking with PEAK: Sequential, Nonparametric Composite Hypothesis Tests for Means of Multiple Data Streams
Authors: Cho, Brian M and Gan, Kyra and Kallus, Nathan
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: We propose a novel nonparametric sequential test for composite hypotheses for means of multiple data streams. Our proposed method, peeking with expectation-based averaged capital (PEAK), builds upon the testing-by-betting framework and provides a non-asymptotic $α$-level test across any stopping time. Our contributions are two-fold: (1) we propose a novel betting scheme and provide theoretical guarantees on type-I error control, power, and asymptotic growth rate/$e$-power in the setting of a single data stream; (2) we introduce PEAK, a generalization of this betting scheme to multiple streams, that (i) avoids using wasteful union bounds via averaging, (ii) is a test of power one under mild regularity conditions on the sampling scheme of the streams, and (iii) reduces computational overhead when applying the testing-as-betting approaches for pure-exploration bandit problems. We illustrate the practical benefits of PEAK using both synthetic and real-world HeartSteps datasets. Our experiments show that PEAK provides up to an 85% reduction in the number of samples before stopping compared to existing stopping rules for pure-exploration bandit problems, and matches the performance of state-of-the-art sequential tests while improving upon computational complexity.
Parameterized Physics-informed Neural Networks for Parameterized PDEs
Authors: Cho, Woojin and Jo, Minju and Lim, Haksoo and Lee, Kookjin and Lee, Dongeun and Hong, Sanghyun and Park, Noseong
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Complex physical systems are often described by partial differential equations (PDEs) that depend on parameters such as the Raynolds number in fluid mechanics. In applications such as design optimization or uncertainty quantification, solutions of those PDEs need to be evaluated at numerous points in the parameter space. While physics-informed neural networks (PINNs) have emerged as a new strong competitor as a surrogate, their usage in this scenario remains underexplored due to the inherent need for repetitive and time-consuming training. In this paper, we address this problem by proposing a novel extension, parameterized physics-informed neural networks (P$^2$INNs). P$^2$INNs enable modeling the solutions of parameterized PDEs via explicitly encoding a latent representation of PDE parameters. With the extensive empirical evaluation, we demonstrate that P$^2$INNs outperform the baselines both in accuracy and parameter efficiency on benchmark 1D and 2D parameterized PDEs and are also effective in overcoming the known “failure modes”.
Kernel Debiased Plug-in Estimation: Simultaneous, Automated Debiasing without Influence Functions for Many Target Parameters
Authors: Cho, Brian M and Mukhin, Yaroslav and Gan, Kyra and Malenica, Ivana
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: 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.
Hard Tasks First: Multi-Task Reinforcement Learning Through Task Scheduling
Authors: Cho, Myungsik and Park, Jongeui and Lee, Suyoung and Sung, Youngchul
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: 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.
KV-Runahead: Scalable Causal LLM Inference by Parallel Key-Value Cache Generation
Authors: Cho, Minsik and Rastegari, Mohammad and Naik, Devang
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: 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.
Neurodegenerative Brain Network Classification via Adaptive Diffusion with Temporal Regularization
Authors: Cho, Hyuna and Sim, Jaeyoon and Wu, Guorong and Kim, Won Hwa
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: 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.
Tilt and Average : Geometric Adjustment of the Last Layer for Recalibration
Authors: Cho, Gyusang and Youn, Chan-Hyun
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: After the revelation that neural networks tend to produce overconfident predictions, the problem of calibration, which aims to align confidence with accuracy to enhance the reliability of predictions, has gained significant importance. Several solutions based on calibration maps have been proposed to address the problem of recalibrating a trained classifier using additional datasets. In this paper, we offer an algorithm that transforms the weights of the last layer of the classifier, distinct from the calibration-map-based approach. We concentrate on the geometry of the final linear layer, specifically its angular aspect, and adjust the weights of the corresponding layer. We name the method Tilt and Average, and validate the calibration effect empirically and theoretically. Through this, we demonstrate that our approach, in addition to the existing calibration-map-based techniques, can yield improved calibration performance.
Scalable Wasserstein Gradient Flow for Generative Modeling through Unbalanced Optimal Transport
Authors: Choi, Jaemoo and Choi, Jaewoong and Kang, Myungjoo
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: 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.
Listwise Reward Estimation for Offline Preference-based Reinforcement Learning
Authors: Choi, Heewoong and Jung, Sangwon and Ahn, Hongjoon and Moon, Taesup
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: In Reinforcement Learning (RL), designing precise reward functions remains to be a challenge, particularly when aligning with human intent. Preference-based RL (PbRL) was introduced to address this problem by learning reward models from human feedback. However, existing PbRL methods have limitations as they often overlook the <em>second-order</em> preference that indicates the relative strength of preference. In this paper, we propose Listwise Reward Estimation (LiRE), a novel approach for offline PbRL that leverages second-order preference information by constructing a Ranked List of Trajectories (RLT), which can be efficiently built by using the same ternary feedback type as traditional methods. To validate the effectiveness of LiRE, we propose a new offline PbRL dataset that objectively reflects the effect of the estimated rewards. Our extensive experiments on the dataset demonstrate the superiority of LiRE, <em>i.e.,</em> outperforming state-of-the-art baselines even with modest feedback budgets and enjoying robustness with respect to the number of feedbacks and feedback noise. Our code is available at https://github.com/chwoong/LiRE
BWS: Best Window Selection Based on Sample Scores for Data Pruning across Broad Ranges
Authors: Choi, Hoyong and Ki, Nohyun and Chung, Hye Won
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Data subset selection aims to find a smaller yet informative subset of a large dataset that can approximate the full-dataset training, addressing challenges associated with training neural networks on large-scale datasets. However, existing methods tend to specialize in either high or low selection ratio regimes, lacking a universal approach that consistently achieves competitive performance across a broad range of selection ratios. We introduce a universal and efficient data subset selection method, Best Window Selection (BWS), by proposing a method to choose the best window subset from samples ordered based on their difficulty scores. This approach offers flexibility by allowing the choice of window intervals that span from easy to difficult samples. Furthermore, we provide an efficient mechanism for selecting the best window subset by evaluating its quality using kernel ridge regression. Our experimental results demonstrate the superior performance of BWS compared to other baselines across a broad range of selection ratios over datasets, including CIFAR-10/100 and ImageNet, and the scenarios involving training from random initialization or fine-tuning of pre-trained models.
Embodied CoT Distillation From LLM To Off-the-shelf Agents
Authors: Choi, Wonje and Kim, Woo Kyung and Yoo, Minjong and Woo, Honguk
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: We address the challenge of utilizing large language models (LLMs) for complex embodied tasks, in the environment where decision-making systems operate timely on capacity-limited, off-the-shelf devices. We present DeDer, a framework for decomposing and distilling the embodied reasoning capabilities from LLMs to efficient, small language model (sLM)-based policies. In DeDer, the decision-making process of LLM-based strategies is restructured into a hierarchy with a reasoning-policy and planning-policy. The reasoning-policy is distilled from the data that is generated through the embodied in-context learning and self-verification of an LLM, so it can produce effective rationales. The planning-policy, guided by the rationales, can render optimized plans efficiently. In turn, DeDer allows for adopting sLMs for both policies, deployed on off-the-shelf devices. Furthermore, to enhance the quality of intermediate rationales, specific to embodied tasks, we devise the embodied knowledge graph, and to generate multiple rationales timely through a single inference, we also use the contrastively prompted attention model. Our experiments with the ALFRED benchmark demonstrate that DeDer surpasses leading language planning and distillation approaches, indicating the applicability and efficiency of sLM-based embodied policies derived through DeDer.
PICLe: Eliciting Diverse Behaviors from Large Language Models with Persona In-Context Learning
Authors: Choi, Hyeong Kyu and Li, Yixuan
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Large Language Models (LLMs) are trained on massive text corpora, which are encoded with diverse personality traits. This triggers an interesting goal of eliciting a desired personality trait from the LLM, and probing its behavioral preferences. Accordingly, we formalize the persona elicitation task, aiming to customize LLM behaviors to align with a target persona. We present Persona In-Context Learning (PICLe), a novel persona elicitation framework grounded in Bayesian inference. At the core, PICLe introduces a new ICL example selection criterion based on likelihood ratio, which is designed to optimally guide the model in eliciting a specific target persona. We demonstrate the effectiveness of PICLe through extensive comparisons against baseline methods across three contemporary LLMs. Code is available at https://github.com/deeplearning-wisc/picle.
PANDA: Expanded Width-Aware Message Passing Beyond Rewiring
Authors: Choi, Jeongwhan and Park, Sumin and Wi, Hyowon and Cho, Sung-Bae and Park, Noseong
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Recent research in the field of graph neural network (GNN) has identified a critical issue known as "over-squashing," resulting from the bottleneck phenomenon in graph structures, which impedes the propagation of long-range information. Prior works have proposed a variety of graph rewiring concepts that aim at optimizing the spatial or spectral properties of graphs to promote the signal propagation. However, such approaches inevitably deteriorate the original graph topology, which may lead to a distortion of information flow. To address this, we introduce an ex<b>pand</b>ed width-<b>a</b>ware (<b>PANDA</b>) message passing, a new message passing paradigm where nodes with high centrality, a potential source of over-squashing, are selectively expanded in width to encapsulate the growing influx of signals from distant nodes. Experimental results show that our method outperforms existing rewiring methods, suggesting that selectively expanding the hidden state of nodes can be a compelling alternative to graph rewiring for addressing the over-squashing.
Online bipartite matching with imperfect advice
Authors: Choo, Davin and Gouleakis, Themistoklis and Ling, Chun Kai and Bhattacharyya, Arnab
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: We study the problem of online unweighted bipartite matching with $n$ offline vertices and $n$ online vertices where one wishes to be competitive against the optimal offline algorithm. While the classic RANKING algorithm of (Karp et al., 1990) provably attains competitive ratio of $1-1/e > 1/2$, we show that no learning-augmented method can be both 1-consistent and strictly better than 1/2-robust under the adversarial arrival model. Meanwhile, under the random arrival model, we show how one can utilize methods from distribution testing to design an algorithm that takes in external advice about the online vertices and provably achieves competitive ratio interpolating between any ratio attainable by advice-free methods and the optimal ratio of 1, depending on the advice quality.
A connection between Tempering and Entropic Mirror Descent
Authors: Chopin, Nicolas and Crucinio, Francesca and Korba, Anna
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: This paper explores the connections between tempering (for Sequential Monte Carlo; SMC) and entropic mirror descent to sample from a target probability distribution whose unnormalized density is known. We establish that tempering SMC corresponds to entropic mirror descent applied to the reverse Kullback-Leibler (KL) divergence and obtain convergence rates for the tempering iterates. Our result motivates the tempering iterates from an optimization point of view, showing that tempering can be seen as a descent scheme of the KL divergence with respect to the Fisher-Rao geometry, in contrast to Langevin dynamics that perform descent of the KL with respect to the Wasserstein-2 geometry. We exploit the connection between tempering and mirror descent iterates to justify common practices in SMC and derive adaptive tempering rules that improve over other alternative benchmarks in the literature.