GenAI4ELab/papercli-papers huggingface dataset:
Post-hoc Part-Prototype Networks
Authors: Andong Tan; Fengtao ZHOU; Hao Chen
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: Post-hoc explainability methods such as Grad-CAM are popular because they do not influence the performance of a trained model. However, they mainly reveal ''where'' a model looks at for a given input, fail to explain ''what'' the model looks for (e.g., what is important to classify a bird image to a Scott Oriole?). Existing part-prototype networks leverage part-prototypes (e.g., characteristic Scott Oriole's wing and head) to answer both ''where" and ''what", but often under-perform their black box counterparts in the accuracy. Therefore, a natural question is: can one construct a network that answers both ''where'' and ''what" in a post-hoc manner to guarantee the model's performance? To this end, we propose the first post-hoc part-prototype network via decomposing the classification head of a trained model into a set of interpretable part-prototypes. Concretely, we propose an unsupervised prototype discovery and refining strategy to obtain prototypes that can precisely reconstruct the classification head, yet being interpretable. Besides guaranteeing the performance, we show that our network offers more faithful explanations qualitatively and yields even better part-prototypes quantitatively than prior part-prototype networks.
Asymmetry in Low-Rank Adapters of Foundation Models
Authors: Jiacheng Zhu; Kristjan Greenewald; Kimia Nadjahi; Haitz Sáez de Ocáriz Borde; Rickard Brüel Gabrielsson; Leshem Choshen; Marzyeh Ghassemi; Mikhail Yurochkin; Justin Solomon
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: Parameter-efficient fine-tuning optimizes large, pre-trained foundation models by updating a subset of parameters; in this class, Low-Rank Adaptation (LoRA) is particularly effective. Inspired by an effort to investigate the different roles of LoRA matrices during fine-tuning, this paper characterizes and leverages unexpected asymmetry in the importance of low-rank adapter matrices. Specifically, when updating the parameter matrices of a neural network by adding a product $BA$, we observe that the $B$ and $A$ matrices have distinct functions: $A$ extracts features from the input, while $B$ uses these features to create the desired output. Based on this observation, we demonstrate that fine-tuning $B$ is inherently more effective than fine-tuning $A$, and that a random untrained $A$ should perform nearly as well as a fine-tuned one. Using an information-theoretic lens, we also bound the generalization of low-rank adapters, showing that the parameter savings of exclusively training $B$ improves the bound. We support our conclusions with experiments on RoBERTa, BART-Large, LLaMA-2, and ViTs. The code and data is available at https://github.com/Jiacheng-Zhu-AIML/AsymmetryLoRA
Retrieval Across Any Domains via Large-scale Pre-trained Model
Authors: Jiexi Yan; Zhihui Yin; Chenghao Xu; Cheng Deng; Heng Huang
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: In order to enhance the generalization ability towards unseen domains, universal cross-domain image retrieval methods require a training dataset encompassing diverse domains, which is costly to assemble. Given this constraint, we introduce a novel problem of data-free adaptive cross-domain retrieval, eliminating the need for real images during training. Towards this goal, we propose a novel Text-driven Knowledge Integration (TKI) method, which exclusively utilizes a pre-trained vision-language model to implement an ``aggregation after expansion" training strategy. Specifically, we extract diverse implicit domain-specific information through a set of learnable domain word vectors. Subsequently, a domain-agnostic universal projection, equipped with a non-Euclidean multi-layer perceptron, can be optimized using these assorted text descriptions through the text-proxied domain aggregation. Leveraging the cross-modal transferability phenomenon of the shared latent space, we can integrate the trained domain-agnostic universal projection with the pre-trained visual encoder to extract the features of the input image for the following retrieval during testing. Extensive experimental results on several benchmark datasets demonstrate the superiority of our method.
Learning to Stabilize Online Reinforcement Learning in Unbounded State Spaces
Authors: Brahma S Pavse; Matthew Zurek; Yudong Chen; Qiaomin Xie; Josiah P. Hanna
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: In many reinforcement learning (RL) applications, we want policies that reach desired states and then keep the controlled system within an acceptable region around the desired states over an indefinite period of time. This latter objective is called *stability* and is especially important when the state space is unbounded, such that the states can be arbitrarily far from each other and the agent can drift far away from the desired states. For example, in stochastic queuing networks, where queues of waiting jobs can grow without bound, the desired state is all-zero queue lengths. Here, a stable policy ensures queue lengths are finite while an optimal policy minimizes queue lengths. Since an optimal policy is also stable, one would expect that RL algorithms would implicitly give us stable policies. However, in this work, we find that deep RL algorithms that directly minimize the distance to the desired state during online training often result in unstable policies, i.e., policies that drift far away from the desired state. We attribute this instability to poor credit-assignment for destabilizing actions. We then introduce an approach based on two ideas: 1) a Lyapunov-based cost-shaping technique and 2) state transformations to the unbounded state space. We conduct an empirical study on various queueing networks and traffic signal control problems and find that our approach performs competitively against strong baselines with knowledge of the transition dynamics. Our code is available here: https://github.com/Badger-RL/STOP
Light and Optimal Schrödinger Bridge Matching
Authors: Nikita Gushchin; Sergei Kholkin; Evgeny Burnaev; Alexander Korotin
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: Schrödinger Bridges (SB) have recently gained the attention of the ML community as a promising extension of classic diffusion models which is also interconnected to the Entropic Optimal Transport (EOT). Recent solvers for SB exploit the pervasive bridge matching procedures. Such procedures aim to recover a stochastic process transporting the mass between distributions given only a transport plan between them. In particular, given the EOT plan, these procedures can be adapted to solve SB. This fact is heavily exploited by recent works giving rives to matching-based SB solvers. The cornerstone here is recovering the EOT plan: recent works either use heuristical approximations (e.g., the minibatch OT) or establish iterative matching procedures which by the design accumulate the error during the training. We address these limitations and propose a novel procedure to learn SB which we call the **optimal Schrödinger bridge matching**. It exploits the optimal parameterization of the diffusion process and provably recovers the SB process **(a)** with a single bridge matching step and **(b)** with arbitrary transport plan as the input. Furthermore, we show that the optimal bridge matching objective coincides with the recently discovered energy-based modeling (EBM) objectives to learn EOT/SB. Inspired by this observation, we develop a light solver (which we call LightSB-M) to implement optimal matching in practice using the Gaussian mixture parameterization of the adjusted Schrödinger potential. We experimentally showcase the performance of our solver in a range of practical tasks.
Fool Your (Vision and) Language Model with Embarrassingly Simple Permutations
Authors: Yongshuo Zong; Tingyang Yu; Ruchika Chavhan; Bingchen Zhao; Timothy Hospedales
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: Large language and vision-language models are rapidly being deployed in practice thanks to their impressive capabilities in instruction following, in-context learning, and so on. This raises an urgent need to carefully analyse their robustness so that stakeholders can understand if and when such models are trustworthy enough to be relied upon in any given application. In this paper, we highlight a specific vulnerability in popular models, namely permutation sensitivity in multiple-choice question answering (MCQA). Specifically, we show empirically that popular models are vulnerable to adversarial permutation in answer sets for multiple-choice prompting, which is surprising as models should ideally be as invariant to prompt permutation as humans are. These vulnerabilities persist across various model sizes, and exist in very recent language and vision-language models. Code to reproduce all experiments is provided in supplementary materials.
Safe Exploration in Dose Finding Clinical Trials with Heterogeneous Participants
Authors: Isabel Chien; Wessel P Bruinsma; Javier Gonzalez; Richard E. Turner
Venue: ICML 2024 (ICML 2024 Poster)

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.
Cooperative Graph Neural Networks
Authors: Ben Finkelshtein; Xingyue Huang; Michael M. Bronstein; Ismail Ilkan Ceylan
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: Graph neural networks are popular architectures for graph machine learning, based on iterative computation of node representations of an input graph through a series of invariant transformations. A large class of graph neural networks follow a standard message-passing paradigm: at every layer, each node state is updated based on an aggregate of messages from its neighborhood. In this work, we propose a novel framework for training graph neural networks, where every node is viewed as a player that can choose to either `listen`, `broadcast`, `listen and broadcast`, or to `isolate`. The standard message propagation scheme can then be viewed as a special case of this framework where every node `listens and broadcasts` to all neighbors. Our approach offers a more flexible and dynamic message-passing paradigm, where each node can determine its own strategy based on their state, effectively exploring the graph topology while learning. We provide a theoretical analysis of the new message-passing scheme which is further supported by an extensive empirical analysis on a synthetic and real-world datasets.
Trained Random Forests Completely Reveal your Dataset
Authors: Julien Ferry; Ricardo Fukasawa; Timothée Pascal; Thibaut Vidal
Venue: ICML 2024 (ICML 2024 Oral)

Abstract: We introduce an optimization-based reconstruction attack capable of completely or near-completely reconstructing a dataset utilized for training a random forest. Notably, our approach relies solely on information readily available in commonly used libraries such as scikit-learn. To achieve this, we formulate the reconstruction problem as a combinatorial problem under a maximum likelihood objective. We demonstrate that this problem is NP-hard, though solvable at scale using constraint programming - an approach rooted in constraint propagation and solution-domain reduction. Through an extensive computational investigation, we demonstrate that random forests trained without bootstrap aggregation but with feature randomization are susceptible to a complete reconstruction. This holds true even with a small number of trees. Even with bootstrap aggregation, the majority of the data can also be reconstructed. These findings underscore a critical vulnerability inherent in widely adopted ensemble methods, warranting attention and mitigation. Although the potential for such reconstruction attacks has been discussed in privacy research, our study provides clear empirical evidence of their practicability.
Online conformal prediction with decaying step sizes
Authors: Anastasios Nikolas Angelopoulos; Rina Barber; Stephen Bates
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: We introduce a method for online conformal prediction with decaying step sizes. Like previous methods, ours possesses a retrospective guarantee of coverage for arbitrary sequences. However, unlike previous methods, we can simultaneously estimate a population quantile when it exists. Our theory and experiments indicate substantially improved practical properties: in particular, when the distribution is stable, the coverage is close to the desired level *for every time point*, not just on average over the observed sequence.
Robustly Learning Single-Index Models via Alignment Sharpness
Authors: Nikos Zarifis; Puqian Wang; Ilias Diakonikolas; Jelena Diakonikolas
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: We study the problem of learning Single-Index Models under the $L_2^2$ loss in the agnostic model. We give an efficient learning algorithm, achieving a constant factor approximation to the optimal loss, that succeeds under a range of distributions (including log-concave distributions) and a broad class of monotone and Lipschitz link functions. This is the first efficient constant factor approximate agnostic learner, even for Gaussian data and for any nontrivial class of link functions. Prior work for the case of unknown link function either works in the realizable setting or does not attain constant factor approximation. The main technical ingredient enabling our algorithm and analysis is a novel notion of a local error bound in optimization that we term *alignment sharpness* and that may be of broader interest.
A Statistical Theory of Regularization-Based Continual Learning
Authors: Xuyang Zhao; Huiyuan Wang; Weiran Huang; Wei Lin
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: We provide a statistical analysis of regularization-based continual learning on a sequence of linear regression tasks, with emphasis on how different regularization terms affect the model performance. We first derive the convergence rate for the oracle estimator obtained as if all data were available simultaneously. Next, we consider a family of generalized $\ell_2$-regularization algorithms indexed by matrix-valued hyperparameters, which includes the minimum norm estimator and continual ridge regression as special cases. As more tasks are introduced, we derive an iterative update formula for the estimation error of generalized $\ell_2$-regularized estimators, from which we determine the hyperparameters resulting in the optimal algorithm. Interestingly, the choice of hyperparameters can effectively balance the trade-off between forward and backward knowledge transfer and adjust for data heterogeneity. Moreover, the estimation error of the optimal algorithm is derived explicitly, which is of the same order as that of the oracle estimator. In contrast, our lower bounds for the minimum norm estimator and continual ridge regression show their suboptimality. A byproduct of our theoretical analysis is the equivalence between early stopping and generalized $\ell_2$-regularization in continual learning, which may be of independent interest. Finally, we conduct experiments to complement our theory.
Learning to Play Atari in a World of Tokens
Authors: Pranav Agarwal; Sheldon Andrews; Samira Ebrahimi Kahou
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: Model-based reinforcement learning agents utilizing transformers have shown improved sample efficiency due to their ability to model extended context, resulting in more accurate world models. However, for complex reasoning and planning tasks, these methods primarily rely on continuous representations. This complicates modeling of discrete properties of the real world such as disjoint object classes between which interpolation is not plausible. In this work, we introduce discrete abstract representations for transformer-based learning (DART), a sample-efficient method utilizing discrete representations for modeling both the world and learning behavior. We incorporate a transformer-decoder for auto-regressive world modeling and a transformer-encoder for learning behavior by attending to task-relevant cues in the discrete representation of the world model. For handling partial observability, we aggregate information from past time steps as memory tokens. DART outperforms previous state-of-the-art methods that do not use look-ahead search on the Atari 100k sample efficiency benchmark with a median human-normalized score of 0.790 and beats humans in 9 out of 26 games. We release our code at https://pranaval.github.io/DART/.
Generalization Analysis of Deep Non-linear Matrix Completion
Authors: Antoine Ledent; Rodrigo Alves
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: We provide generalization bounds for matrix completion with Schatten $p$ quasi-norm constraints, which is equivalent to deep matrix factorization with Frobenius constraints. In the uniform sampling regime, the sample complexity scales like $\widetilde{O}\left( rn\right)$ where $n$ is the size of the matrix and $r$ is a constraint of the same order as the ground truth rank in the isotropic case. In the distribution-free setting, the bounds scale as $\widetilde{O}\left(r^{1-\frac{p}{2}}n^{1+\frac{p}{2}}\right)$, which reduces to the familiar $\sqrt{r}n^{\frac{3}{2}}$ for $p=1$. Furthermore, we provide an analogue of the weighted trace norm for this setting which brings the sample complexity down to $\widetilde{O}(nr)$ in all cases. We then present a non-linear model, Functionally Rescaled Matrix Completion (FRMC) which applies a single trainable function from $\mathbb{R}\rightarrow \mathbb{R}$ to each entry of a latent matrix, and prove that this adds only negligible terms of the overall sample complexity, whilst experiments demonstrate that this simple model improvement already leads to significant gains on real data. We also provide extensions of our results to various neural architectures, thereby providing the first comprehensive uniform convergence PAC analysis of neural network matrix completion.
Physics of Language Models: Part 3.1, Knowledge Storage and Extraction
Authors: Zeyuan Allen-Zhu; Yuanzhi Li
Venue: ICML 2024 (ICML 2024 Spotlight)

Abstract: Large language models (LLMs) can store a vast amount of world knowledge, often extractable via question-answering (e.g., "What is Abraham Lincoln's birthday?''). However, do they answer such questions based on exposure to similar questions during training (i.e., cheating), or by genuinely learning to extract knowledge from sources like Wikipedia? In this paper, we investigate this issue using a controlled biography dataset. We find a strong correlation between the model's ability to extract knowledge and various _diversity measures_ of the training data. **Essentially**, for knowledge to be reliably extracted, it must be sufficiently augmented (e.g., through paraphrasing, sentence shuffling) _during pretraining_. Without such augmentation, knowledge may be memorized but not extractable, leading to 0% accuracy, regardless of subsequent instruction fine-tuning. To understand why this occurs, we employ (nearly) linear probing to demonstrate a strong connection between the observed correlation and _how the model internally encodes knowledge_ --- whether it is linearly encoded in the hidden embeddings of entity names or distributed across other token embeddings in the training text. **This paper provides several key recommendations for LLM pretraining in the industry:** (1) rewrite the pretraining data --- using small, auxiliary models --- to provide knowledge augmentation, and (2) incorporate more instruction-finetuning data into the pretraining stage before it becomes too late.
Learning Optimal Projection for Forecast Reconciliation of Hierarchical Time Series
Authors: Asterios Tsiourvas; Wei Sun; Georgia Perakis; Pin-Yu Chen; Yada Zhu
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: Hierarchical time series forecasting requires not only prediction accuracy but also coherency, i.e., forecasts add up appropriately across the hierarchy. Recent literature has shown that reconciliation via projection outperforms prior methods such as top-down or bottom-up approaches. Unlike existing work that pre-specifies a projection matrix (e.g., orthogonal), we study the problem of learning the optimal oblique projection from data for coherent forecasting of hierarchical time series. In addition to the unbiasedness-preserving property, oblique projection implicitly accounts for the hierarchy structure and assigns different weights to individual time series, providing significant adaptability over orthogonal projection which treats base forecast errors equally. We examine two broad classes of projections, namely Euclidean projection and general oblique projections. We propose to model the reconciliation step as a learnable, structured, projection layer in the neural forecaster architecture. The proposed approach allows for the efficient learning of the optimal projection in an end-to-end framework where both the neural forecaster and the projection layer are learned simultaneously. An empirical evaluation of real-world hierarchical time series datasets demonstrates the superior performance of the proposed method over existing state-of-the-art approaches.
Graph-based Forecasting with Missing Data through Spatiotemporal Downsampling
Authors: Ivan Marisca; Cesare Alippi; Filippo Maria Bianchi
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: Given a set of synchronous time series, each associated with a sensor-point in space and characterized by inter-series relationships, the problem of spatiotemporal forecasting consists of predicting future observations for each point. Spatiotemporal graph neural networks achieve striking results by representing the relationships across time series as a graph. Nonetheless, most existing methods rely on the often unrealistic assumption that inputs are always available and fail to capture hidden spatiotemporal dynamics when part of the data is missing. In this work, we tackle this problem through hierarchical spatiotemporal downsampling. The input time series are progressively coarsened over time and space, obtaining a pool of representations that capture heterogeneous temporal and spatial dynamics. Conditioned on observations and missing data patterns, such representations are combined by an interpretable attention mechanism to generate the forecasts. Our approach outperforms state-of-the-art methods on synthetic and real-world benchmarks under different missing data distributions, particularly in the presence of contiguous blocks of missing values.