GenAI4ELab/papercli-papers huggingface dataset:
Predicting Lagrangian Multipliers for Mixed Integer Linear Programs
Authors: Francesco Demelas; Joseph Le Roux; Mathieu Lacroix; Axel Parmentier
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: Lagrangian Relaxation stands among the most efficient approaches for solving Mixed Integer Linear Programs (MILPs) with difficult constraints. Given any duals for these constraints, called Lagrangian Multipliers (LMs), it returns a bound on the optimal value of the MILP, and Lagrangian methods seek the LMs giving the best such bound. But these methods generally rely on iterative algorithms resembling gradient descent to maximize the concave piecewise linear dual function: the computational burden grows quickly with the number of relaxed constraints. We introduce a deep learning approach that bypasses the descent, effectively amortizing per instance optimization. A probabilistic encoder based on a graph neural network computes, given a MILP instance and its Continuous Relaxation (CR) solution, high-dimensional representations of relaxed constraints, which are turned into LMs by a decoder. We train the encoder and the decoder jointly by directly optimizing the bound obtained from the predicted multipliers. Our method is applicable to any problem with a compact MILP formulation, and to any Lagrangian Relaxation providing a tighter bound than CR. Experiments on two widely known problems, Multi-Commodity Network Design and Generalized Assignment, show that our approach closes up to 85% of the gap between the continuous relaxation and the best Lagrangian bound, and provides a high-quality warm-start for descent-based Lagrangian methods.
Sampling-based Multi-dimensional Recalibration
Authors: Youngseog Chung; Ian Char; Jeff Schneider
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: Calibration of probabilistic forecasts in the regression setting has been widely studied in the single dimensional case, where the output variables are assumed to be univariate. In many problem settings, however, the output variables are multi-dimensional, and in the presence of dependence across the output dimensions, measuring calibration and performing recalibration for each dimension separately can be both misleading and detrimental. In this work, we focus on representing predictive uncertainties via samples, and propose a recalibration method which accounts for the joint distribution across output dimensions to produce calibrated samples. Based on the concept of highest density regions (HDR), we define the notion of HDR calibration, and show that our recalibration method produces samples which are HDR calibrated. We demonstrate the performance of our method and the quality of the recalibrated samples on a suite of benchmark datasets in multi-dimensional regression, a real-world dataset in modeling plasma dynamics during nuclear fusion reactions, and on a decision-making application in forecasting demand.
Privacy Profiles for Private Selection
Authors: Antti Koskela; Rachel Emily Redberg; Yu-Xiang Wang
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: Private selection mechanisms (e.g., Report Noisy Max, Sparse Vector) are fundamental primitives of differentially private (DP) data analysis with wide applications to private query release, voting, and hyperparameter tuning. Recent work (Liu and Talwar, 2019; Papernot and Steinke, 2022) has made significant progress in both generalizing private selection mechanisms and tightening their privacy analysis using modern numerical privacy accounting tools, e.g., Rényi DP. But Rényi DP is known to be lossy when $(\epsilon,\delta)$-DP is ultimately needed, and there is a trend to close the gap by directly handling privacy profiles, i.e., $\delta$ as a function of $\epsilon$ or its equivalent dual form known as $f$-DPs. In this paper, we work out an easy-to-use recipe that bounds the privacy profiles of ReportNoisyMax and PrivateTuning using the privacy profiles of the base algorithms they corral. Numerically, our approach improves over the RDP-based accounting in all regimes of interest and leads to substantial benefits in end-to-end private learning experiments. Our analysis also suggests new distributions, e.g., binomial distribution for randomizing the number of rounds that leads to more substantial improvements in certain regimes.
Restoring balance: principled under/oversampling of data for optimal classification
Authors: Emanuele Loffredo; Mauro Pastore; Simona Cocco; Remi Monasson
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: Class imbalance in real-world data poses a common bottleneck for machine learning tasks, since achieving good generalization on under-represented examples is often challenging. Mitigation strategies, such as under or oversampling the data depending on their abundances, are routinely proposed and tested empirically, but how they should adapt to the data statistics remains poorly understood. In this work, we determine exact analytical expressions of the generalization curves in the high-dimensional regime for linear classifiers (Support Vector Machines). We also provide a sharp prediction of the effects of under/oversampling strategies depending on class imbalance, first and second moments of the data, and the metrics of performance considered. We show that mixed strategies involving under and oversampling of data lead to performance improvement. Through numerical experiments, we show the relevance of our theoretical predictions on real datasets, on deeper architectures and with sampling strategies based on unsupervised probabilistic models.
Model Alignment as Prospect Theoretic Optimization
Authors: Kawin Ethayarajh; Winnie Xu; Niklas Muennighoff; Dan Jurafsky; Douwe Kiela
Venue: ICML 2024 (ICML 2024 Spotlight)

Abstract: Kahneman & Tversky's $\textit{prospect theory}$ tells us that humans perceive random variables in a biased but well-defined manner (1992); for example, humans are famously loss-averse. We show that objectives for aligning LLMs with human feedback implicitly incorporate many of these biases---the success of these objectives (e.g., DPO) over cross-entropy minimization can partly be ascribed to them belonging to a family of loss functions that we call $\textit{human-aware losses}$ (HALOs). However, the utility functions these methods attribute to humans still differ from those in the prospect theory literature. Using a Kahneman-Tversky model of human utility, we propose a HALO that directly maximizes the utility of generations instead of maximizing the log-likelihood of preferences, as current methods do. We call this approach KTO, and it matches or exceeds the performance of preference-based methods at scales from 1B to 30B, despite only learning from a binary signal of whether an output is desirable. More broadly, our work suggests that there is no one HALO that is universally superior; the best loss depends on the inductive biases most appropriate for a given setting, an oft-overlooked consideration.
From Words to Actions: Unveiling the Theoretical Underpinnings of LLM-Driven Autonomous Systems
Authors: Jianliang He; Siyu Chen; Fengzhuo Zhang; Zhuoran Yang
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: In this work, from a theoretical lens, we aim to understand why large language model (LLM) empowered agents are able to solve decision-making problems in the physical world. To this end, consider a hierarchical reinforcement learning (RL) model where the LLM Planner and the Actor perform high-level task planning and low-level execution, respectively. Under this model, the LLM Planner navigates a partially observable Markov decision process (POMDP) by iteratively generating language-based subgoals via prompting. Under proper assumptions on the pretraining data, we prove that the pretrained LLM Planner effectively performs Bayesian aggregated imitation learning (BAIL) through in-context learning. Additionally, we highlight the necessity for exploration beyond the subgoals derived from BAIL by proving that naively executing the subgoals returned by LLM leads to a linear regret. As a remedy, we introduce an $\epsilon$-greedy exploration strategy to BAIL, which is proven to incur sublinear regret when the pretraining error is small. Finally, we extend our theoretical framework to include scenarios where the LLM Planner serves as a world model for inferring the transition model of the environment and to multi-agent settings, enabling coordination among multiple Actors.
Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning
Authors: Xiangzhe Kong; Wenbing Huang; Yang Liu
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: Many processes in biology and drug discovery involve various 3D interactions between molecules, such as protein and protein, protein and small molecule, etc. Given that different molecules are usually represented in different granularity, existing methods usually encode each type of molecules independently with different models, leaving it defective to learn the various underlying interaction physics. In this paper, we first propose to universally represent an arbitrary 3D complex as a geometric graph of sets, shedding light on encoding all types of molecules with one model. We then propose a Generalist Equivariant Transformer (GET) to effectively capture both domain-specific hierarchies and domain-agnostic interaction physics. To be specific, GET consists of a bilevel attention module, a feed-forward module and a layer normalization module, where each module is E(3) equivariant and specialized for handling sets of variable sizes. Notably, in contrast to conventional pooling-based hierarchical models, our GET is able to retain fine-grained information of all levels. Extensive experiments on the interactions between proteins, small molecules and RNA/DNAs verify the effectiveness and generalization capability of our proposed method across different domains.
ReLUs Are Sufficient for Learning Implicit Neural Representations
Authors: Joseph Shenouda; Yamin Zhou; Robert D Nowak
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: Motivated by the growing theoretical understanding of neural networks that employ the Rectified Linear Unit (ReLU) as their activation function, we revisit the use of ReLU activation functions for learning implicit neural representations (INRs). Inspired by second order B-spline wavelets, we incorporate a set of simple constraints to the ReLU neurons in each layer of a deep neural network (DNN) to remedy the spectral bias. This in turn enables its use for various INR tasks. Empirically, we demonstrate that, contrary to popular belief, one *can learn* state-of-the-art INRs based on a DNN composed of only ReLU neurons. Next, by leveraging recent theoretical works which characterize the kinds of functions ReLU neural networks learn, we provide a way to quantify the regularity of the learned function. This offers a principled approach to selecting the hyperparameters in INR architectures. We substantiate our claims through experiments in signal representation, super resolution, and computed tomography, demonstrating the versatility and effectiveness of our method. The code for all experiments can be found at https://github.com/joeshenouda/relu-inrs.
Larimar: Large Language Models with Episodic Memory Control
Authors: Payel Das; Subhajit Chaudhury; Elliot Nelson; Igor Melnyk; Sarathkrishna Swaminathan; Sihui Dai; Aurelie Lozano; Georgios Kollias; Vijil Chenthamarakshan; Jiri Navratil; Soham Dan; Pin-Yu Chen
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: Efficient and accurate updating of knowledge stored in Large Language Models (LLMs) is one of the most pressing research challenges today. This paper presents Larimar - a novel, brain-inspired architecture for enhancing LLMs with a distributed episodic memory. Larimar's memory allows for dynamic, one-shot updates of knowledge without the need for computationally expensive re-training or fine-tuning. Experimental results on multiple fact editing benchmarks demonstrate that Larimar attains accuracy comparable to most competitive baselines, even in the challenging sequential editing setup, but also excels in speed---yielding speed-ups of 8-10x depending on the base LLM ---as well as flexibility due to the proposed architecture being simple, LLM-agnostic, and hence general. We further provide mechanisms for selective fact forgetting, information leakage prevention, and input context length generalization with Larimar and show their effectiveness. Our code is available at https://github.com/IBM/larimar.
Roping in Uncertainty: Robustness and Regularization in Markov Games
Authors: Jeremy McMahan; Giovanni Artiglio; Qiaomin Xie
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: We study robust Markov games (RMG) with $s$-rectangular uncertainty. We show a general equivalence between computing a robust Nash equilibrium (RNE) of a $s$-rectangular RMG and computing a Nash equilibrium (NE) of an appropriately constructed regularized MG. The equivalence result yields a planning algorithm for solving $s$-rectangular RMGs, as well as provable robustness guarantees for policies computed using regularized methods. However, we show that even for just reward-uncertain two-player zero-sum matrix games, computing an RNE is PPAD-hard. Consequently, we derive a special uncertainty structure called efficient player-decomposability and show that RNE for two-player zero-sum RMG in this class can be provably solved in polynomial time. This class includes commonly used uncertainty sets such as $L_1$ and $L_\infty$ ball uncertainty sets.
Neuro-Symbolic Temporal Point Processes
Authors: Yang Yang; Chao Yang; Boyang Li; Yinghao Fu; Shuang Li
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: Our goal is to $\textit{efficiently}$ discover a compact set of temporal logic rules to explain irregular events of interest. We introduce a neural-symbolic rule induction framework within the temporal point process model. The negative log-likelihood is the loss that guides the learning, where the explanatory logic rules and their weights are learned end-to-end in a $\textit{differentiable}$ way. Specifically, predicates and logic rules are represented as $\textit{vector embeddings}$, where the predicate embeddings are fixed and the rule embeddings are trained via gradient descent to obtain the most appropriate compositional representations of the predicate embeddings. To make the rule learning process more efficient and flexible, we adopt a $\textit{sequential covering algorithm}$, which progressively adds rules to the model and removes the event sequences that have been explained until all event sequences have been covered. All the found rules will be fed back to the models for a final rule embedding and weight refinement. Our approach showcases notable efficiency and accuracy across synthetic and real datasets, surpassing state-of-the-art baselines by a wide margin in terms of efficiency.
On the Trajectory Regularity of ODE-based Diffusion Sampling
Authors: Defang Chen; Zhenyu Zhou; Can Wang; Chunhua Shen; Siwei Lyu
Venue: ICML 2024 (ICML 2024 Poster)

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 $5\sim 10$ function evaluations.
Chain-of-Thought Predictive Control
Authors: Zhiwei Jia; Vineet Thumuluri; Fangchen Liu; Linghao Chen; Zhiao Huang; Hao Su
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: We study generalizable policy learning from demonstrations for complex low-level control (e.g., contact-rich object manipulations). We propose a novel hierarchical imitation learning method that utilizes sub-optimal demos. Firstly, we propose an observation space-agnostic approach that efficiently discovers the multi-step subskill decomposition of the demos in an unsupervised manner. By grouping temporarily close and functionally similar actions into subskill-level demo segments, the observations at the segment boundaries constitute a chain of planning steps for the task, which we refer to as the chain-of-thought (CoT). Next, we propose a Transformer-based design that effectively learns to predict the CoT as the subskill-level guidance. We couple action and subskill predictions via learnable prompt tokens and a hybrid masking strategy, which enable dynamically updated guidance at test time and improve feature representation of the trajectory for generalizable policy learning. Our method, Chain-of-Thought Predictive Control (CoTPC), consistently surpasses existing strong baselines on various challenging low-level manipulation tasks with sub-optimal demos. See project page at https://sites.google.com/view/cotpc.
Stay on Topic with Classifier-Free Guidance
Authors: Guillaume Sanchez; Alexander Spangher; Honglu Fan; Elad Levi; Stella Biderman
Venue: ICML 2024 (ICML 2024 Spotlight)

Abstract: Classifier-Free Guidance (CFG) has recently emerged in as a lightweight technique to encourage prompt-adherence in generations, yet has not yet been successfully applied to language modeling. In this work, we demonstrate across a wide array of benchmarks that CFG can be used broadly as an inference-time technique in pure language modeling. We show that CFG (1) improves the performance of Pythia, GPT-2 and LLaMA-family models across: Q&A, reasoning, code generation, and machine translation, achieving SOTA on LAMBADA with LLaMA-7B over PaLM-540B; (2) brings improvements equivalent to a model with twice the parameter-count; (3) can stack alongside other inference-time methods like Chain-of-Thought and Self-Consistency, yielding further improvements in difficult tasks; (4) can be used to increase the faithfulness and coherence of assistants in challenging form-driven and content-driven prompts: in human evaluations we show a 75% preference for using CFG over baseline.
HALC: Object Hallucination Reduction via Adaptive Focal-Contrast Decoding
Authors: Zhaorun Chen; Zhuokai Zhao; Hongyin Luo; Huaxiu Yao; Bo Li; Jiawei Zhou
Venue: ICML 2024 (ICML 2024 Poster)

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.
RVI-SAC: Average Reward Off-Policy Deep Reinforcement Learning
Authors: Yukinari Hisaki; Isao Ono
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: In this paper, we propose an off-policy deep reinforcement learning (DRL) method utilizing the average reward criterion. While most existing DRL methods employ the discounted reward criterion, this can potentially lead to a discrepancy between the training objective and performance metrics in continuing tasks, making the average reward criterion a recommended alternative. We introduce RVI-SAC, an extension of the state-of-the-art off-policy DRL method, Soft Actor-Critic (SAC), to the average reward criterion. Our proposal consists of (1) Critic updates based on RVI Q-learning, (2) Actor updates introduced by the average reward soft policy improvement theorem, and (3) automatic adjustment of Reset Cost enabling the average reward reinforcement learning to be applied to tasks with termination. We apply our method to the Gymnasium's Mujoco tasks, a subset of locomotion tasks, and demonstrate that RVI-SAC shows competitive performance compared to existing methods.
An Iterative Min-Min Optimization Method for Sparse Bayesian Learning
Authors: Yasen Wang; Junlin Li; Zuogong Yue; ye yuan
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: As a well-known machine learning algorithm, sparse Bayesian learning (SBL) can find sparse representations in linearly probabilistic models by imposing a sparsity-promoting prior on model coefficients. However, classical SBL algorithms lack the essential theoretical guarantees of global convergence. To address this issue, we propose an iterative Min-Min optimization method to solve the marginal likelihood function (MLF) of SBL based on the concave-convex procedure. The method can optimize the hyperparameters related to both the prior and noise level analytically at each iteration by re-expressing MLF using auxiliary functions. Particularly, we demonstrate that the method globally converges to a local minimum or saddle point of MLF. With rigorous theoretical guarantees, the proposed novel SBL algorithm outperforms classical ones in finding sparse representations on simulation and real-world examples, ranging from sparse signal recovery to system identification and kernel regression.
Let Go of Your Labels with Unsupervised Transfer
Authors: Artyom Gadetsky; Yulun Jiang; Maria Brbic
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: Foundation vision-language models have enabled remarkable zero-shot transferability of the pre-trained representations to a wide range of downstream tasks. However, to solve a new task, zero-shot transfer still necessitates human guidance to define visual categories that appear in the data. Here, we show that fully unsupervised transfer emerges when searching for the labeling of a dataset that induces maximal margin classifiers in representation spaces of different foundation models. We present TURTLE, a fully unsupervised method that effectively employs this guiding principle to uncover the underlying labeling of a downstream dataset without any supervision and task-specific representation learning. We evaluate TURTLE on a diverse benchmark suite of 26 datasets and show that it achieves new state-of-the-art unsupervised performance. Furthermore, TURTLE, although being fully unsupervised, outperforms zero-shot transfer baselines on a wide range of datasets. In particular, TURTLE matches the average performance of CLIP zero-shot on 26 datasets by employing the same representation space, spanning a wide range of architectures and model sizes. By guiding the search for the underlying labeling using the representation spaces of two foundation models, TURTLE surpasses zero-shot transfer and unsupervised prompt tuning baselines, demonstrating the surprising power and effectiveness of unsupervised transfer.