GenAI4ELab/papercli-papers huggingface dataset:
Why Do Animals Need Shaping? A Theory of Task Composition and Curriculum Learning
Authors: Jin Hwa Lee; Stefano Sarao Mannelli; Andrew M Saxe
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: Diverse studies in systems neuroscience begin with extended periods of curriculum training known as ‘shaping’ procedures. These involve progressively studying component parts of more complex tasks, and can make the difference between learning a task quickly, slowly or not at all. Despite the importance of shaping to the acquisition of complex tasks, there is as yet no theory that can help guide the design of shaping procedures, or more fundamentally, provide insight into its key role in learning. Modern deep reinforcement learning systems might implicitly learn compositional primitives within their multilayer policy networks. Inspired by these models, we propose and analyse a model of deep policy gradient learning of simple compositional reinforcement learning tasks. Using the tools of statistical physics, we solve for exact learning dynamics and characterise different learning strategies including primitives pre-training, in which task primitives are studied individually before learning compositional tasks. We find a complex interplay between task complexity and the efficacy of shaping strategies. Overall, our theory provides an analytical understanding of the benefits of shaping in a class of compositional tasks and a quantitative account of how training protocols can disclose useful task primitives, ultimately yielding faster and more robust learning.
Position: Reinforcement Learning in Dynamic Treatment Regimes Needs Critical Reexamination
Authors: Zhiyao Luo; Yangchen Pan; Peter Watkinson; Tingting Zhu
Venue: ICML 2024 (ICML 2024 Spotlight)

Abstract: In the rapidly changing healthcare landscape, the implementation of offline reinforcement learning (RL) in dynamic treatment regimes (DTRs) presents a mix of unprecedented opportunities and challenges. This position paper offers a critical examination of the current status of offline RL in the context of DTRs. We argue for a reassessment of applying RL in DTRs, citing concerns such as inconsistent and potentially inconclusive evaluation metrics, the absence of naive and supervised learning baselines, and the diverse choice of RL formulation in existing research. Through a case study with more than 17,000 evaluation experiments using a publicly available Sepsis dataset, we demonstrate that the performance of RL algorithms can significantly vary with changes in evaluation metrics and Markov Decision Process (MDP) formulations. Surprisingly, it is observed that in some instances, RL algorithms can be surpassed by random baselines subjected to policy evaluation methods and reward design. This calls for more careful policy evaluation and algorithm development in future DTR works. Additionally, we discussed potential enhancements toward more reliable development of RL-based dynamic treatment regimes and invited further discussion within the community. Code is available at https://github.com/GilesLuo/ReassessDTR.
Balanced Resonate-and-Fire Neurons
Authors: Saya Higuchi; Sebastian Kairat; Sander Bohte; Sebastian Otte
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: The resonate-and-fire (RF) neuron, introduced over two decades ago, is a simple, efficient, yet biologically plausible spiking neuron model, which can extract frequency patterns within the time domain due to its resonating membrane dynamics. However, previous RF formulations suffer from intrinsic shortcomings that limit effective learning and prevent exploiting the principled advantage of RF neurons. Here, we introduce the balanced RF (BRF) neuron, which alleviates some of the intrinsic limitations of vanilla RF neurons and demonstrates its effectiveness within recurrent spiking neural networks (RSNNs) on various sequence learning tasks. We show that networks of BRF neurons achieve overall higher task performance, produce only a fraction of the spikes, and require significantly fewer parameters as compared to modern RSNNs. Moreover, BRF-RSNN consistently provide much faster and more stable training convergence, even when bridging many hundreds of time steps during backpropagation through time (BPTT). These results underscore that our BRF-RSNN is a strong candidate for future large-scale RSNN architectures, further lines of research in SNN methodology, and more efficient hardware implementations.
Comparing Graph Transformers via Positional Encodings
Authors: Mitchell Black; Zhengchao Wan; Gal Mishne; Amir Nayyeri; Yusu Wang
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: The distinguishing power of graph transformers is tied to the choice of *positional encoding*: features used to augment the base transformer with information about the graph. There are two primary types of positional encoding: *absolute positional encodings (APEs)* and *relative positional encodings (RPEs)*. APEs assign features to each node and are given as input to the transformer. RPEs instead assign a feature to each *pair of nodes*, e.g., shortest-path distance, and are used to augment the attention block. A priori, it is unclear which method is better for maximizing the power of the resulting graph transformer. In this paper, we aim to understand the relationship between these different types of positional encodings. Interestingly, we show that graph transformers using APEs and RPEs are equivalent in their ability to distinguish non-isomorphic graphs. In particular, we demonstrate how to interchange APEs and RPEs while maintaining their distinguishing power in terms of graph transformers. However, in the case of graphs with node features, we show that RPEs may have an advantage over APEs. Based on our theoretical results, we provide a study of different APEs and RPEs---including the shortest-path and resistance distance and the recently introduced stable and expressive positional encoding (SPE)---and compare their distinguishing power in terms of transformers. We believe our work will help navigate the vast number of positional encoding choices and provide guidance on the future design of positional encodings for graph transformers.
Accelerating Transformer Pre-training with 2:4 Sparsity
Authors: Yuezhou Hu; Kang Zhao; Weiyu Huang; Jianfei Chen; Jun Zhu
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: Training large transformers is slow, but recent innovations on GPU architecture give us an advantage. NVIDIA Ampere GPUs can execute a fine-grained 2:4 sparse matrix multiplication twice as fast as its dense equivalent. In the light of this property, we comprehensively investigate the feasibility of accelerating feed-forward networks (FFNs) of transformers in pre-training. First, we define a ``flip rate'' to monitor the stability of a 2:4 training process. Utilizing this metric, we propose three techniques to preserve accuracy: to modify the sparse-refined straight-through estimator by applying the masked decay term on gradients, to determine a feasible decay factor in warm-up stage, and to enhance the model's quality by a dense fine-tuning procedure near the end of pre-training. Besides, we devise two techniques to practically accelerate training: to calculate transposable 2:4 masks by convolution, and to accelerate gated activation functions by reducing GPU L2 cache miss. Experiments show that our 2:4 sparse training algorithm achieves similar convergence to dense training algorithms on several transformer pre-training tasks, while actual acceleration can be observed on different shapes of transformer block apparently. Our toolkit is available at https://github.com/huyz2023/2by4-pretrain.
How Language Model Hallucinations Can Snowball
Authors: Muru Zhang; Ofir Press; William Merrill; Alisa Liu; Noah A. Smith
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: A major risk of using language models in practical applications is their tendency to hallucinate incorrect statements. Hallucinations are often attributed to knowledge gaps in LMs, but we show that LMs sometimes produce hallucinations that they can separately recognize as incorrect. To do this, we construct three question-answering datasets where LMs often state an incorrect answer which is followed by an explanation with at least one incorrect claim. Crucially, we find that GPT-3.5, GPT-4, and LLaMA2-70B-chat can identify 67%, 87%, and 94% of these incorrect claims, respectively. We show that this phenomenon doesn't disappear under higher temperatures sampling, beam search, and zero-shot chain-of-thought prompting. These findings reveal that LM hallucinations can snowball: early mistakes by an LM can lead to more mistakes that otherwise would not be made.
Towards Neural Architecture Search through Hierarchical Generative Modeling
Authors: Lichuan Xiang; Łukasz Dudziak; Mohamed S Abdelfattah; Abhinav Mehrotra; Nicholas Donald Lane; Hongkai Wen
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: Neural Architecture Search (NAS) aims to automate deep neural network design across various applications, while a good search space design is core to NAS performance. A too-narrow search space may fail to cover diverse task requirements, whereas a too-broad one can escalate computational expenses and reduce efficiency. %We propose automatically generating the search space to tailor it to specific task conditions, optimizing search costs and producing viable architectures. In this work, we aim to address this challenge by leaning on the recent advances in generative modelling -- we propose a novel method that can navigate through an extremely large, general-purpose initial search space efficiently by training a two-level generative model hierarchy. The first level uses Conditional Continuous Normalizing Flow (CCNF) for micro-cell design, while the second employs a transformer-based sequence generator to craft macro architectures aligned with task needs and architectural constraints. To ensure computational feasibility, we pretrain the generative models in a task-agnostic manner using a metric space of graph and zero-cost (ZC) similarities between architectures. We show our approach can achieve state-of-the-art performance among other low-cost NAS methods across different tasks on CIFAR-10/100, ImageNet and NAS-Bench-360.
Discovering Environments with XRM
Authors: Mohammad Pezeshki; Diane Bouchacourt; Mark Ibrahim; Nicolas Ballas; Pascal Vincent; David Lopez-Paz
Venue: ICML 2024 (ICML 2024 Oral)

Abstract: Environment annotations are essential for the success of many out-of-distribution (OOD) generalization methods. Unfortunately, these are costly to obtain and often limited by human annotators' biases. To achieve robust generalization, it is essential to develop algorithms for automatic environment discovery within datasets. Current proposals, which divide examples based on their training error, suffer from one fundamental problem. These methods introduce hyper-parameters and early-stopping criteria, which require a validation set with human-annotated environments, the very information subject to discovery. In this paper, we propose Cross-Risk Minimization (XRM) to address this issue. XRM trains twin networks, each learning from one random half of the training data, while imitating confident held-out mistakes made by its sibling. XRM provides a recipe for hyper-parameter tuning, does not require early-stopping, and can discover environments for all training and validation data. Algorithms built on top of XRM environments achieve oracle worst-group-accuracy, addressing a long-standing challenge in OOD generalization.
Compute Better Spent: Replacing Dense Layers with Structured Matrices
Authors: Shikai Qiu; Andres Potapczynski; Marc Anton Finzi; Micah Goldblum; Andrew Gordon Wilson
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: Dense linear layers are the dominant computational bottleneck in foundation models. Identifying more efficient alternatives to dense matrices has enormous potential for building more compute-efficient models, as exemplified by the success of convolutional networks in the image domain. In this work, we systematically explore structured matrices as replacements for dense matrices. We show that different structures often require drastically different initialization scales and learning rates, which are crucial to performance, especially as models scale. Using insights from the Maximal Update Parameterization, we determine the optimal scaling for initialization and learning rates of these unconventional layers. Finally, we measure the scaling laws of different structures to compare how quickly their performance improves with compute. We propose a novel matrix family containing Monarch matrices, the Block Tensor-Train (BTT), which we show performs better than dense matrices for the same compute on multiple tasks. On CIFAR-10/100 with augmentation, BTT achieves exponentially lower training loss than dense when training MLPs and ViTs. BTT matches dense ViT-S/32 performance on ImageNet-1k with 3.8 times less compute and is more efficient than dense for training small GPT-2 language models.
Two Tales of Single-Phase Contrastive Hebbian Learning
Authors: Rasmus Høier; Christopher Zach
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: The search for "biologically plausible" learning algorithms has converged on the idea of representing gradients as activity differences. However, most approaches require a high degree of synchronization (distinct phases during learning) and introduce substantial computational overhead, which raises doubts regarding their biological plausibility as well as their potential utility for neuromorphic computing. Furthermore, they commonly rely on applying infinitesimal perturbations (nudges) to output units, which is impractical in noisy environments. Recently it has been shown that by modelling artificial neurons as dyads with two oppositely nudged compartments, it is possible for a fully local learning algorithm named ``dual propagation'' to bridge the performance gap to backpropagation, without requiring separate learning phases or infinitesimal nudging. However, the algorithm has the drawback that its numerical stability relies on symmetric nudging, which may be restrictive in biological and analog implementations. In this work we first provide a solid foundation for the objective underlying the dual propagation method, which also reveals a surpising connection with adversarial robustness. Second, we demonstrate how dual propagation is related to a particular adjoint state method, which is stable regardless of asymmetric nudging.
Decoding-time Realignment of Language Models
Authors: Tianlin Liu; Shangmin Guo; Leonardo Bianco; Daniele Calandriello; Quentin Berthet; Felipe Llinares-López; Jessica Hoffmann; Lucas Dixon; Michal Valko; Mathieu Blondel
Venue: ICML 2024 (ICML 2024 Spotlight)

Abstract: Aligning language models with human preferences is crucial for reducing errors and biases in these models. Alignment techniques, such as reinforcement learning from human feedback (RLHF), are typically cast as optimizing a tradeoff between human preference rewards and a proximity regularization term that encourages staying close to the unaligned model. Selecting an appropriate level of regularization is critical: insufficient regularization can lead to reduced model capabilities due to reward hacking, whereas excessive regularization hinders alignment. Traditional methods for finding the optimal regularization level require retraining multiple models with varying regularization strengths. This process, however, is resource-intensive, especially for large models. To address this challenge, we propose decoding-time realignment (DeRa), a simple method to explore and evaluate different regularization strengths in aligned models without retraining. DeRa enables control over the degree of alignment, allowing users to smoothly transition between unaligned and aligned models. It also enhances the efficiency of hyperparameter tuning by enabling the identification of effective regularization strengths using a validation dataset.
Why do Variational Autoencoders Really Promote Disentanglement?
Authors: Pratik Bhowal; Achint Soni; Sirisha Rambhatla
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: Despite not being designed for this purpose, the use of variational autoencoders (VAEs) has proven remarkably effective for disentangled representation learning (DRL). Recent research attributes this success to certain characteristics of the loss function that prevent latent space rotation, or hypothesize about the orthogonality properties of the decoder by drawing parallels with principal component analysis (PCA). This hypothesis, however, has only been tested experimentally for linear VAEs, and the theoretical justification still remains an open problem. Moreover, since real-world VAEs are often inherently non-linear due to the use of neural architectures, understanding DRL capabilities of real-world VAEs remains a critical task. Our work takes a step towards understanding disentanglement in real-world VAEs to theoretically establish how the orthogonality properties of the decoder promotes disentanglement in practical applications. Complementary to our theoretical contributions, our experimental results corroborate our analysis. Code is available at https://github.com/criticalml-uw/Disentanglement-in-VAE.
Differentiability and Optimization of Multiparameter Persistent Homology
Authors: Luis Scoccola; Siddharth Setlur; David Loiseaux; Mathieu Carrière; Steve Oudot
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: Real-valued functions on geometric data---such as node attributes on a graph---can be optimized using descriptors from persistent homology, allowing the user to incorporate topological terms in the loss function. When optimizing a single real-valued function (the one-parameter setting), there is a canonical choice of descriptor for persistent homology: the barcode. The operation mapping a real-valued function to its barcode is differentiable almost everywhere, and the convergence of gradient descent for losses using barcodes is relatively well understood. When optimizing a vector-valued function (the multiparameter setting), there is no unique choice of descriptor for multiparameter persistent homology, and many distinct descriptors have been proposed. This calls for the development of a general framework for differentiability and optimization that applies to a wide range of multiparameter homological descriptors. In this article, we develop such a framework and show that it encompasses well-known descriptors of different flavors, such as signed barcodes and the multiparameter persistence landscape. We complement the theory with numerical experiments supporting the idea that optimizing multiparameter homological descriptors can lead to improved performances compared to optimizing one-parameter descriptors, even when using the simplest and most efficiently computable multiparameter descriptors.
On Gradient-like Explanation under a Black-box Setting: When Black-box Explanations Become as Good as White-box
Authors: Yi Cai; Gerhard Wunder
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: Attribution methods shed light on the explainability of data-driven approaches such as deep learning models by uncovering the most influential features in a to-be-explained decision. While determining feature attributions via gradients delivers promising results, the internal access required for acquiring gradients can be impractical under safety concerns, thus limiting the applicability of gradient-based approaches. In response to such limited flexibility, this paper presents GEEX (gradient-estimation-based explanation), a method that produces gradient-like explanations through only query-level access. The proposed approach holds a set of fundamental properties for attribution methods, which are mathematically rigorously proved, ensuring the quality of its explanations. In addition to the theoretical analysis, with a focus on image data, the experimental results empirically demonstrate the superiority of the proposed method over state-of-the-art black-box methods and its competitive performance compared to methods with full access.
Confidence Aware Inverse Constrained Reinforcement Learning
Authors: Sriram Ganapathi Subramanian; Guiliang Liu; Mohammed Elmahgiubi; Kasra Rezaee; Pascal Poupart
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: In coming up with solutions to real-world problems, humans implicitly adhere to constraints that are too numerous and complex to be specified completely. However, reinforcement learning (RL) agents need these constraints to learn the correct optimal policy in these settings. The field of Inverse Constraint Reinforcement Learning (ICRL) deals with this problem and provides algorithms that aim to estimate the constraints from expert demonstrations collected offline. Practitioners prefer to know a measure of confidence in the estimated constraints, before deciding to use these constraints, which allows them to only use the constraints that satisfy a desired level of confidence. However, prior works do not allow users to provide the desired level of confidence for the inferred constraints. This work provides a principled ICRL method that can take a confidence level with a set of expert demonstrations and outputs a constraint that is at least as constraining as the true underlying constraint with the desired level of confidence. Further, unlike previous methods, this method allows a user to know if the number of expert trajectories is insufficient to learn a constraint with a desired level of confidence, and therefore collect more expert trajectories as required to simultaneously learn constraints with the desired level of confidence and a policy that achieves the desired level of performance.
Differentiable Combinatorial Scheduling at Scale
Authors: Mingju Liu; Yingjie Li; Jiaqi Yin; Zhiru Zhang; CUNXI YU
Venue: ICML 2024 (ICML 2024 Poster)

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