mtybilly/Instruct2DS huggingface dataset:
Generating In-Distribution Proxy Graphs for Explaining Graph Neural Networks
Authors: Zhuomin Chen, Jiaxing Zhang, Jingchao Ni, Xiaoting Li, Yuchen Bian, Md Mezbahul Islam, Ananda Mondal, Hua Wei, Dongsheng Luo
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Graph Neural Networks (GNNs) have become a building block in graph data processing, with wide applications in critical domains. The growing needs to deploy GNNs in high-stakes applications necessitate explainability for users in the decision-making processes. A popular paradigm for the explainability of GNNs is to identify explainable subgraphs by comparing their labels with the ones of original graphs. This task is challenging due to the substantial distributional shift from the original graphs in the training set to the set of explainable subgraphs, which prevents accurate prediction of labels with the subgraphs. To address it, in this paper, we propose a novel method that generates proxy graphs for explainable subgraphs that are in the distribution of training data. We introduce a parametric method that employs graph generators to produce proxy graphs. A new training objective based on information theory is designed to ensure that proxy graphs not only adhere to the distribution of training data but also preserve explanatory factors. Such generated proxy graphs can be reliably used to approximate the predictions of the labels of explainable subgraphs. Empirical evaluations across various datasets demonstrate our method achieves more accurate explanations for GNNs.
Diffusive Gibbs Sampling
Authors: Wenlin Chen, Mingtian Zhang, Brooks Paige, José Miguel Hernández-Lobato, David Barber
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: The inadequate mixing of conventional Markov Chain Monte Carlo (MCMC) methods for multi-modal distributions presents a significant challenge in practical applications such as Bayesian inference and molecular dynamics. Addressing this, we propose Diffusive Gibbs Sampling (DiGS), an innovative family of sampling methods designed for effective sampling from distributions characterized by distant and disconnected modes. DiGS integrates recent developments in diffusion models, leveraging Gaussian convolution to create an auxiliary noisy distribution that bridges isolated modes in the original space and applying Gibbs sampling to alternately draw samples from both spaces. A novel Metropolis-within-Gibbs scheme is proposed to enhance mixing in the denoising sampling step. DiGS exhibits a better mixing property for sampling multi-modal distributions than state-of-the-art methods such as parallel tempering, attaining substantially improved performance across various tasks, including mixtures of Gaussians, Bayesian neural networks and molecular dynamics.
Provable Risk-Sensitive Distributional Reinforcement Learning with General Function Approximation
Authors: Yu Chen, Xiangcheng Zhang, Siwei Wang, Longbo Huang
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: In the realm of reinforcement learning (RL), accounting for risk is crucial for making decisions under uncertainty, particularly in applications where safety and reliability are paramount. In this paper, we introduce a general framework on Risk-Sensitive Distributional Reinforcement Learning (RS-DisRL), with static Lipschitz Risk Measures (LRM) and general function approximation. Our framework covers a broad class of risk-sensitive RL, and facilitates analysis of the impact of estimation functions on the effectiveness of RSRL strategies and evaluation of their sample complexity. We design two innovative meta-algorithms: RS-DisRL-M, a model-based strategy for model-based function approximation, and RS-DisRL-V, a model-free approach for general value function approximation. With our novel estimation techniques via Least Squares Regression (LSR) and Maximum Likelihood Estimation (MLE) in distributional RL with augmented Markov Decision Process (MDP), we derive the first $\widetilde\mathcalO(\sqrtK)$ dependency of the regret upper bound for RSRL with static LRM, marking a pioneering contribution towards statistically efficient algorithms in this domain.
$\textttMoE-RBench$: Towards Building Reliable Language Models with Sparse Mixture-of-Experts
Authors: Guanjie Chen, Xinyu Zhao, Tianlong Chen, Yu Cheng
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Mixture-of-Experts (MoE) has gained increasing popularity as a promising framework for scaling up large language models (LLMs). However, the reliability assessment of MoE lags behind its surging applications. Moreover, when transferred to new domains such as in fine-tuning MoE models sometimes underperform their dense counterparts. Motivated by the research gap and counter-intuitive phenomenon, we propose $\textttMoE-RBench$, the first comprehensive assessment of SMoE reliability from three aspects: $\textit(i)$ safety and hallucination, $\textit(ii)$ resilience to adversarial attacks, and $\textit(iii)$ out-of-distribution robustness. Extensive models and datasets are tested to compare the MoE to dense networks from these reliability dimensions. Our empirical observations suggest that with appropriate hyperparameters, training recipes, and inference techniques, we can build the MoE model more reliably than the dense LLM. In particular, we find that the robustness of SMoE is sensitive to the basic training settings. We hope that this study can provide deeper insights into how to adapt the pre-trained MoE model to other tasks with higher-generation security, quality, and stability. Codes are available at https://github.com/UNITES-Lab/MoE-RBench.
LLaGA: Large Language and Graph Assistant
Authors: Runjin Chen, Tong Zhao, Ajay Kumar Jaiswal, Neil Shah, Zhangyang Wang
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Graph Neural Networks (GNNs) have empowered the advance in graph-structured data analysis. Recently, the rise of Large Language Models (LLMs) like GPT-4 has heralded a new era in deep learning. However, their application to graph data poses distinct challenges due to the inherent difficulty of translating graph structures to language. To this end, we introduce the the <b>L</b>arge <b>L</b>anguage <b>a</b>nd <b>G</b>raph <b>A</b>ssistant (<b>LLaGA</b>), an innovative model that effectively integrates LLM capabilities to handle the complexities of graph-structured data. LLaGA retains the general-purpose nature of LLMs while adapting graph data into a format compatible with LLM input. LLaGA achieves this by reorganizing graph nodes to structure-aware sequences and then mapping these into the token embedding space through a versatile projector. LLaGA excels in versatility, generalizability and interpretability, allowing it to perform consistently well across different datasets and tasks, extend its ability to unseen datasets or tasks, and provide explanations for graphs. Our extensive experiments across popular graph benchmarks show that LLaGA delivers outstanding performance across four datasets and three tasks using one single model, surpassing state-of-the-art graph models in both supervised and zero-shot scenarios.
HALC: Object Hallucination Reduction via Adaptive Focal-Contrast Decoding
Authors: Zhaorun Chen, Zhuokai Zhao, Hongyin Luo, Huaxiu Yao, Bo Li, Jiawei Zhou
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: While large vision-language models (LVLMs) have demonstrated impressive capabilities in interpreting multi-modal contexts, they invariably suffer from object hallucinations (OH). We introduce HALC, a novel decoding algorithm designed to mitigate OH in LVLMs. HALC leverages distinct fine-grained optimal visual information in vision-language tasks and operates on both local and global contexts simultaneously. Specifically, HALC integrates a robust auto-focal grounding mechanism (locally) to correct hallucinated tokens on the fly, and a specialized beam search algorithm (globally) to significantly reduce OH while preserving text generation quality. Additionally, HALC can be integrated into any LVLMs as a plug-and-play module without extra training. Extensive experimental studies demonstrate HALC’s effectiveness in reducing OH, outperforming state-of-the-arts across four benchmarks. Code is released at https://github.com/BillChan226/HALC.
Compact Optimality Verification for Optimization Proxies
Authors: Wenbo Chen, Haoruo Zhao, Mathieu Tanneau, Pascal Van Hentenryck
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Recent years have witnessed increasing interest in optimization proxies, i.e., machine learning models that approximate the input-output mapping of parametric optimization problems and return near-optimal feasible solutions. Following recent work by (Nellikkath & Chatzivasileiadis, 2021), this paper reconsiders the optimality verification problem for optimization proxies, i.e., the determination of the worst-case optimality gap over the instance distribution. The paper proposes a compact formulation for optimality verification and a gradient-based primal heuristic that brings significant computational benefits to the original formulation. The compact formulation is also more general and applies to non-convex optimization problems. The benefits of the compact formulation are demonstrated on large-scale DC Optimal Power Flow and knapsack problems.
Enhancing Implicit Shape Generators Using Topological Regularizations
Authors: Liyan Chen, Yan Zheng, Yang Li, Lohit Anirudh Jagarapu, Haoxiang Li, Hao Kang, Gang Hua, Qixing Huang
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: A fundamental problem in learning 3D shapes generative models is that when the generative model is simply fitted to the training data, the resulting synthetic 3D models can present various artifacts. Many of these artifacts are topological in nature, e.g., broken legs, unrealistic thin structures, and small holes. In this paper, we introduce a principled approach that utilizes topological regularization losses on an implicit shape generator to rectify topological artifacts. The objectives are two-fold. The first is to align the persistent diagram (PD) distribution of the training shapes with that of synthetic shapes. The second ensures that the PDs are smooth among adjacent synthetic shapes. We show how to achieve these two objectives using two simple but effective formulations. Specifically, distribution alignment is achieved to learn a generative model of PDs and align this generator with PDs of synthetic shapes. We show how to handle discrete and continuous variabilities of PDs by using a shape-regularization term when performing PD alignment. Moreover, we enforce the smoothness of the PDs using a smoothness loss on the PD generator, which further improves the behavior of PD distribution alignment. Experimental results on ShapeNet show that our approach leads to much better generalization behavior than state-of-the-art implicit shape generators.
Do Models Explain Themselves? Counterfactual Simulatability of Natural Language Explanations
Authors: Yanda Chen, Ruiqi Zhong, Narutatsu Ri, Chen Zhao, He He, Jacob Steinhardt, Zhou Yu, Kathleen Mckeown
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Large language models (LLMs) are trained to imitate humans to explain human decisions. However, do LLMs explain themselves? Can they help humans build mental models of how LLMs process different inputs? To answer these questions, we propose to evaluate $\textbfcounterfactual simulatability$ of natural language explanations: whether an explanation can enable humans to precisely infer the model’s outputs on diverse counterfactuals of the explained input. For example, if a model answers ”$\textityes$” to the input question ”$\textitCan eagles fly?$” with the explanation ”$\textitall birds can fly$”, then humans would infer from the explanation that it would also answer ”$\textityes$” to the counterfactual input ”$\textitCan penguins fly?$”. If the explanation is precise, then the model’s answer should match humans’ expectations. We implemented two metrics based on counterfactual simulatability: precision and generality. We generated diverse counterfactuals automatically using LLMs. We then used these metrics to evaluate state-of-the-art LLMs (e.g., GPT-4) on two tasks: multi-hop factual reasoning and reward modeling. We found that LLM’s explanations have low precision and that precision does not correlate with plausibility. Therefore, naively optimizing human approvals (e.g., RLHF) may be insufficient.
On the Trajectory Regularity of ODE-based Diffusion Sampling
Authors: Defang Chen, Zhenyu Zhou, Can Wang, Chunhua Shen, Siwei Lyu
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Diffusion-based generative models use stochastic differential equations (SDEs) and their equivalent ordinary differential equations (ODEs) to establish a smooth connection between a complex data distribution and a tractable prior distribution. In this paper, we identify several intriguing trajectory properties in the ODE-based sampling process of diffusion models. We characterize an implicit denoising trajectory and discuss its vital role in forming the coupled sampling trajectory with a strong shape regularity, regardless of the generated content. We also describe a dynamic programming-based scheme to make the time schedule in sampling better fit the underlying trajectory structure. This simple strategy requires minimal modification to any given ODE-based numerical solvers and incurs negligible computational cost, while delivering superior performance in image generation, especially in $5∼ 10$ function evaluations.
ODIN: Disentangled Reward Mitigates Hacking in RLHF
Authors: Lichang Chen, Chen Zhu, Jiuhai Chen, Davit Soselia, Tianyi Zhou, Tom Goldstein, Heng Huang, Mohammad Shoeybi, Bryan Catanzaro
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: In this work, we study the issue of reward hacking on the response length, a challenge emerging in Reinforcement Learning from Human Feedback (RLHF) on LLMs. A well-formatted, verbose but less helpful response from the LLMs can often deceive LLMs or even human evaluators and achieve high scores. The same issue also holds for some reward models in RL. To address the challenges in both training and evaluation, we establish a more reliable evaluation protocol for comparing different training configurations, which inspects the trade-off between LLM evaluation score and response length obtained by varying training hyperparameters. Based on this evaluation, we conduct large-scale studies, where the results shed insights into the efficacy of hyperparameters and tricks used in RL on mitigating length bias. We further propose to improve the reward model by jointly training two linear heads to predict the preference, one trained to correlate with length and the other trained to decorrelate with length and therefore focusing more on the actual content. We then discard the length head in RL to ignore the spurious length reward. Experiments demonstrate that our approach eliminates the reward correlation with length, and improves the obtained policy by a significant margin.
Stacking Deep Set Networks and Pooling by Quantiles
Authors: Zhuojun Chen, Xinghua Zhu, Dongzhe Su, Justin C. I. Chuang
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: We propose Stacked Deep Sets and Quantile Pooling for learning tasks on set data. We introduce Quantile Pooling, a novel permutation-invariant pooling operation that synergizes max and average pooling. Just like max pooling, quantile pooling emphasizes the most salient features of the data. Like average pooling, it captures the overall distribution and subtle features of the data. Like both, it is lightweight and fast. We demonstrate the effectiveness of our approach in a variety of tasks, showing that quantile pooling can outperform both max and average pooling in each of their respective strengths. We also introduce a variant of deep set networks that is more expressive and universal. While Quantile Pooling balances robustness and sensitivity, Stacked Deep Sets enhances learning with depth.
What Can Transformer Learn with Varying Depth? Case Studies on Sequence Learning Tasks
Authors: Xingwu Chen, Difan Zou
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: We study the capabilities of the transformer architecture with varying depth. Specifically, we designed a novel set of sequence learning tasks to systematically evaluate and comprehend how the depth of transformer affects its ability to perform memorization, reasoning, generalization, and contextual generalization. We show a transformer with only one attention layer can excel in memorization but falls short in other tasks. Then, we show that exhibiting reasoning and generalization ability requires the transformer to have at least two attention layers, while context generalization ability may necessitate three attention layers. Additionally, we identify a class of simple operations that a single attention layer can execute, and show that the complex tasks can be approached as the combinations of these simple operations and thus can be resolved by stacking multiple attention layers. This sheds light on studying more practical and complex tasks beyond our design. Numerical experiments corroborate our theoretical findings.
Transformers Implement Functional Gradient Descent to Learn Non-Linear Functions In Context
Authors: Xiang Cheng, Yuxin Chen, Suvrit Sra
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Many neural network architectures are known to be Turing Complete, and can thus, in principle implement arbitrary algorithms. However, Transformers are unique in that they can implement gradient-based learning algorithms <em>under simple parameter configurations</em>. This paper provides theoretical and empirical evidence that (non-linear) Transformers naturally learn to implement gradient descent <em>in function space</em>, which in turn enable them to learn non-linear functions in context. Our results apply to a broad class of combinations of non-linear architectures and non-linear in-context learning tasks. Additionally, we show that the optimal choice of non-linear activation depends in a natural way on the class of functions that need to be learned.
Layerwise Change of Knowledge in Neural Networks
Authors: Xu Cheng, Lei Cheng, Zhaoran Peng, Yang Xu, Tian Han, Quanshi Zhang
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: This paper aims to explain how a deep neural network (DNN) gradually extracts new knowledge and forgets noisy features through layers in forward propagation. Up to now, although how to define knowledge encoded by the DNN has not reached a consensus so far, previous studies have derived a series of mathematical evidences to take interactions as symbolic primitive inference patterns encoded by a DNN. We extend the definition of interactions and, for the first time, extract interactions encoded by intermediate layers. We quantify and track the newly emerged interactions and the forgotten interactions in each layer during the forward propagation, which shed new light on the learning behavior of DNNs. The layer-wise change of interactions also reveals the change of the generalization capacity and instability of feature representations of a DNN.
Reference Neural Operators: Learning the Smooth Dependence of Solutions of PDEs on Geometric Deformations
Authors: Ze Cheng, Zhongkai Hao, Xiaoqiang Wang, Jianing Huang, Youjia Wu, Xudan Liu, Yiru Zhao, Songming Liu, Hang Su
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: For partial differential equations on domains of arbitrary shapes, existing works of neural operators attempt to learn a mapping from geometries to solutions. It often requires a large dataset of geometry-solution pairs in order to obtain a sufficiently accurate neural operator. However, for many industrial applications, e.g., engineering design optimization, it can be prohibitive to satisfy the requirement since even a single simulation may take hours or days of computation. To address this issue, we propose <em>reference neural operators</em> (RNO), a novel way of implementing neural operators, i.e., to learn the smooth dependence of solutions on geometric deformations. Specifically, given a reference solution, RNO can predict solutions corresponding to arbitrary deformations of the referred geometry. This approach turns out to be much more data efficient. Through extensive experiments, we show that RNO can learn the dependence across various types and different numbers of geometry objects with relatively small datasets. RNO outperforms baseline models in accuracy by a large lead and achieves up to 80% error reduction.
Causal Inference out of Control: Estimating Performativity without Treatment Randomization
Authors: Gary Cheng, Moritz Hardt, Celestine Mendler-Dünner
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Regulators and academics are increasingly interested in the causal effect that algorithmic actions of a digital platform have on user consumption. In pursuit of estimating this effect from observational data, we identify a set of assumptions that permit causal identifiability without assuming randomized platform actions. Our results are applicable to platforms that rely on machine-learning-powered predictions and leverage knowledge from historical data. The key novelty of our approach is to explicitly model the dynamics of consumption over time, exploiting the repeated interaction of digital platforms with their participants to prove our identifiability results. By viewing the platform as a controller acting on a dynamical system, we can show that exogenous variation in consumption and appropriately responsive algorithmic control actions are sufficient for identifying the causal effect of interest. We complement our claims with an analysis of ready-to-use finite sample estimators and empirical investigations. More broadly, our results deriving identifiability conditions tailored to digital platform settings illustrate a fruitful interplay of control theory and causal inference.
BadPart: Unified Black-box Adversarial Patch Attacks against Pixel-wise Regression Tasks
Authors: Zhiyuan Cheng, Zhaoyi Liu, Tengda Guo, Shiwei Feng, Dongfang Liu, Mingjie Tang, Xiangyu Zhang
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: Kai Cheng, Xiaoxiao Long, Kaizhi Yang, Yao Yao, Wei Yin, Yuexin Ma, Wenping Wang, Xuejin Chen
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: Tin Sum Cheng, Aurelien Lucchi, Anastasis Kratsios, David Belius
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: Shuyu Cheng, Yibo Miao, Yinpeng Dong, Xiao Yang, Xiao-Shan Gao, Jun Zhu
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: Qinyuan Cheng, Tianxiang Sun, Xiangyang Liu, Wenwei Zhang, Zhangyue Yin, Shimin Li, Linyang Li, Zhengfu He, Kai Chen, Xipeng Qiu
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: Zelei Cheng, Xian Wu, Jiahao Yu, Sabrina Yang, Gang Wang, Xinyu Xing
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: Jie Cheng, Gang Xiong, Xingyuan Dai, Qinghai Miao, Yisheng Lv, Fei-Yue Wang
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: Ziheng Cheng, Longlin Yu, Tianyu Xie, Shiyue Zhang, Cheng Zhang
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: Manuel Cherep, Nikhil Singh, Jessica Shand
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: Wang Chi Cheung, Lixing Lyu
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: Alexis Chevalier, Jiayi Geng, Alexander Wettig, Howard Chen, Sebastian Mizera, Toni Annala, Max Aragon, Arturo Rodriguez Fanlo, Simon Frieder, Simon Machado, Akshara Prabhakar, Ellie Thieu, Jiachen T. Wang, Zirui Wang, Xindi Wu, Mengzhou Xia, Wenhan Xia, Jiatong Yu, Junjie Zhu, Zhiyong Ren, Sanjeev Arora, Danqi Chen
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: Chia-Cheng Chiang, Li-Cheng Lan, Wei-Fang Sun, Chien Feng, Cho-Jui Hsieh, Chun-Yi Lee
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: Wei-Lin Chiang, Lianmin Zheng, Ying Sheng, Anastasios Nikolas Angelopoulos, Tianle Li, Dacheng Li, Banghua Zhu, Hao Zhang, Michael Jordan, Joseph E. Gonzalez, Ion Stoica
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: Pranav Singh Chib, Achintya Nath, Paritosh Kabra, Ishu Gupta, Pravendra Singh
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: Pranav Singh Chib, Pravendra Singh
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: Muthu Chidambaram, Holden Lee, Colin Mcswiggen, Semon Rezchikov
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: Isabel Chien, Wessel P Bruinsma, Javier Gonzalez, Richard E. Turner
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.