GenAI4ELab/papercli-papers huggingface dataset:
Learning Mixtures of Gaussian Processes through Random Projection
Authors: Emmanuel Akeweje; Mimi Zhang
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: We propose an ensemble clustering framework to uncover latent cluster labels in functional data generated from a Gaussian process mixture. Our method exploits the fact that the projection coefficients of the functional data onto any given projection function follow a univariate Gaussian mixture model (GMM). By conducting multiple one-dimensional projections and learning a univariate GMM for each, we create an ensemble of GMMs. Each GMM serves as a base clustering, and applying ensemble clustering yields a consensus clustering. Our approach significantly reduces computational complexity compared to state-of-the-art methods, and we provide theoretical guarantees on the identifiability and learnability of Gaussian process mixtures. Extensive experiments on synthetic and real datasets confirm the superiority of our method over existing techniques.
NeWRF: A Deep Learning Framework for Wireless Radiation Field Reconstruction and Channel Prediction
Authors: Haofan Lu; Christopher Vattheuer; Baharan Mirzasoleiman; Omid Abari
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: We present NeWRF, a novel deep-learning-based framework for predicting wireless channels. Wireless channel prediction is a long-standing problem in the wireless community and is a key technology for improving the coverage of wireless network deployments. Today, a wireless deployment is evaluated by a site survey which is a cumbersome process requiring an experienced engineer to perform extensive channel measurements. To reduce the cost of site surveys, we develop NeWRF, which is based on recent advances in Neural Radiance Fields (NeRF). NeWRF trains a neural network model with a sparse set of channel measurements, and predicts the wireless channel accurately at any location in the site. We introduce a series of techniques that integrate wireless propagation properties into the NeRF framework to account for the fundamental differences between the behavior of light and wireless signals. We conduct extensive evaluations of our framework and show that our approach can accurately predict channels at unvisited locations with significantly lower measurement density than prior state-of-the-art.
Delving into Differentially Private Transformer
Authors: Youlong Ding; Xueyang Wu; Yining meng; Yonggang Luo; Hao Wang; Weike Pan
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: Deep learning with differential privacy (DP) has garnered significant attention over the past years, leading to the development of numerous methods aimed at enhancing model accuracy and training efficiency. This paper delves into the problem of training Transformer models with differential privacy. Our treatment is modular: the logic is to 'reduce' the problem of training DP Transformer to the more basic problem of training DP vanilla neural nets. The latter is better understood and amenable to many model-agnostic methods. Such 'reduction' is done by first identifying the hardness unique to DP Transformer training: the attention distraction phenomenon and a lack of compatibility with existing techniques for efficient gradient clipping. To deal with these two issues, we propose the Re-Attention Mechanism and Phantom Clipping, respectively. We believe that our work not only casts new light on training DP Transformers but also promotes a modular treatment to advance research in the field of differentially private deep learning.
Position: Explain to Question not to Justify
Authors: Przemyslaw Biecek; Wojciech Samek
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: Explainable Artificial Intelligence (XAI) is a young but very promising field of research. Unfortunately, the progress in this field is currently slowed down by divergent and incompatible goals. We separate various threads tangled within the area of XAI into two complementary cultures of human/value-oriented explanations (BLUE XAI) and model/validation-oriented explanations (RED XAI). This position paper argues that the area of RED XAI is currently under-explored, i.e., more methods for explainability are desperately needed to question models (e.g., extract knowledge from well-performing models as well as spotting and fixing bugs in faulty models), and the area of RED XAI hides great opportunities and potential for important research necessary to ensure the safety of AI systems. We conclude this paper by presenting promising challenges in this area.
A Mechanistic Understanding of Alignment Algorithms: A Case Study on DPO and Toxicity
Authors: Andrew Lee; Xiaoyan Bai; Itamar Pres; Martin Wattenberg; Jonathan K. Kummerfeld; Rada Mihalcea
Venue: ICML 2024 (ICML 2024 Oral)

Abstract: While alignment algorithms are commonly used to tune pre-trained language models towards user preferences, we lack explanations for the underlying mechanisms in which models become ``aligned'', thus making it difficult to explain phenomena like jailbreaks. In this work we study a popular algorithm, direct preference optimization (DPO), and the mechanisms by which it reduces toxicity. Namely, we first study how toxicity is represented and elicited in pre-trained language models (GPT2-medium, Llama2-7b). We then apply DPO with a carefully crafted pairwise dataset to reduce toxicity. We examine how the resulting models avert toxic outputs, and find that capabilities learned from pre-training are not removed, but rather bypassed. We use this insight to demonstrate a simple method to un-align the models, reverting them back to their toxic behavior.
A Sober Look at LLMs for Material Discovery: Are They Actually Good for Bayesian Optimization Over Molecules?
Authors: Agustinus Kristiadi; Felix Strieth-Kalthoff; Marta Skreta; Pascal Poupart; Alan Aspuru-Guzik; Geoff Pleiss
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: Automation is one of the cornerstones of contemporary material discovery. Bayesian optimization (BO) is an essential part of such workflows, enabling scientists to leverage prior domain knowledge into efficient exploration of a large molecular space. While such prior knowledge can take many forms, there has been significant fanfare around the ancillary scientific knowledge encapsulated in large language models (LLMs). However, existing work thus far has only explored LLMs for heuristic materials searches. Indeed, recent work obtains the uncertainty estimate---an integral part of BO---from point-estimated, _non-Bayesian_ LLMs. In this work, we study the question of whether LLMs are actually useful to accelerate principled _Bayesian_ optimization in the molecular space. We take a sober, dispassionate stance in answering this question. This is done by carefully (i) viewing LLMs as fixed feature extractors for standard but principled BO surrogate models and by (ii) leveraging parameter-efficient finetuning methods and Bayesian neural networks to obtain the posterior of the LLM surrogate. Our extensive experiments with real-world chemistry problems show that LLMs can be useful for BO over molecules, but only if they have been pretrained or finetuned with domain-specific data.
A Primal-Dual Algorithm for Offline Constrained Reinforcement Learning with Linear MDPs
Authors: Kihyuk Hong; Ambuj Tewari
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: We study offline reinforcement learning (RL) with linear MDPs under the infinite-horizon discounted setting which aims to learn a policy that maximizes the expected discounted cumulative reward using a pre-collected dataset. Existing algorithms for this setting either require a uniform data coverage assumptions or are computationally inefficient for finding an $\epsilon$-optimal policy with $\mathcal{O}(\epsilon^{-2})$ sample complexity. In this paper, we propose a primal dual algorithm for offline RL with linear MDPs in the infinite-horizon discounted setting. Our algorithm is the first computationally efficient algorithm in this setting that achieves sample complexity of $\mathcal{O}(\epsilon^{-2})$ with partial data coverage assumption. Our work is an improvement upon a recent work that requires $\mathcal{O}(\epsilon^{-4})$ samples. Moreover, we extend our algorithm to work in the offline constrained RL setting that enforces constraints on additional reward signals.
Position: The No Free Lunch Theorem, Kolmogorov Complexity, and the Role of Inductive Biases in Machine Learning
Authors: Micah Goldblum; Marc Anton Finzi; Keefer Rowan; Andrew Gordon Wilson
Venue: ICML 2024 (ICML 2024 Spotlight)

Abstract: No free lunch theorems for supervised learning state that no learner can solve all problems or that all learners achieve exactly the same accuracy on average over a uniform distribution on learning problems. Accordingly, these theorems are often referenced in support of the notion that individual problems require specially tailored inductive biases. While virtually all uniformly sampled datasets have high complexity, real-world problems disproportionately generate low-complexity data, and we argue that neural network models share this same preference, formalized using Kolmogorov complexity. Notably, we show that architectures designed for a particular domain, such as computer vision, can compress datasets on a variety of seemingly unrelated domains. Our experiments show that pre-trained and even randomly initialized language models prefer to generate low-complexity sequences. Whereas no free lunch theorems seemingly indicate that individual problems require specialized learners, we explain how tasks that often require human intervention such as picking an appropriately sized model when labeled data is scarce or plentiful can be automated into a single learning algorithm. These observations justify the trend in deep learning of unifying seemingly disparate problems with an increasingly small set of machine learning models.
MS-TIP: Imputation Aware Pedestrian Trajectory Prediction
Authors: Pranav singh chib; Achintya Nath; Paritosh Kabra; Ishu Gupta; Pravendra Singh
Venue: ICML 2024 (ICML 2024 Poster)

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.
Double Momentum Method for Lower-Level Constrained Bilevel Optimization
Authors: Wanli Shi; Yi Chang; Bin Gu
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: Bilevel optimization (BO) has recently gained prominence in many machine learning applications due to its ability to capture the nested structure inherent in these problems. Recently, many hypergradient methods have been proposed as effective solutions for solving large-scale problems. However, current hypergradient methods for the lower-level constrained bilevel optimization (LCBO) problems need very restrictive assumptions, namely, where optimality conditions satisfy the differentiability and invertibility conditions, and lack a solid analysis of the convergence rate. What's worse, existing methods require either double-loop updates, which are sometimes less efficient. To solve this problem, in this paper, we propose a new hypergradient of LCBO leveraging the theory of nonsmooth implicit function theorem instead of using the restrive assumptions. In addition, we propose a *single-loop single-timescale* algorithm based on the double-momentum method and adaptive step size method and prove it can return a $(\delta, \epsilon)$-stationary point with $\tilde{\mathcal{O}}(d_2^2\epsilon^{-4})$ iterations. Experiments on two applications demonstrate the effectiveness of our proposed method.
Efficient Error Certification for Physics-Informed Neural Networks
Authors: Francisco Eiras; Adel Bibi; Rudy R Bunel; Krishnamurthy Dj Dvijotham; Philip Torr; M. Pawan Kumar
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: Recent work provides promising evidence that Physics-Informed Neural Networks (PINN) can efficiently solve partial differential equations (PDE). However, previous works have failed to provide guarantees on the *worst-case* residual error of a PINN across the spatio-temporal domain - a measure akin to the tolerance of numerical solvers - focusing instead on point-wise comparisons between their solution and the ones obtained by a solver on a set of inputs. In real-world applications, one cannot consider tests on a finite set of points to be sufficient grounds for deployment, as the performance could be substantially worse on a different set. To alleviate this issue, we establish guaranteed error-based conditions for PINNs over their *continuous* applicability domain. To verify the extent to which they hold, we introduce $\partial$-CROWN: a general, efficient and scalable post-training framework to bound PINN residual errors. We demonstrate its effectiveness in obtaining tight certificates by applying it to two classically studied PINNs -- Burgers' and Schrödinger's equations --, and two more challenging ones with real-world applications -- the Allan-Cahn and Diffusion-Sorption equations.
Don't trust your eyes: on the (un)reliability of feature visualizations
Authors: Robert Geirhos; Roland S. Zimmermann; Blair Bilodeau; Wieland Brendel; Been Kim
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: How do neural networks extract patterns from pixels? Feature visualizations attempt to answer this important question by visualizing highly activating patterns through optimization. Today, visualization methods form the foundation of our knowledge about the internal workings of neural networks, as a type of mechanistic interpretability. Here we ask: How reliable are feature visualizations? We start our investigation by developing network circuits that trick feature visualizations into showing arbitrary patterns that are completely disconnected from normal network behavior on natural input. We then provide evidence for a similar phenomenon occurring in standard, unmanipulated networks: feature visualizations are processed very differently from standard input, casting doubt on their ability to "explain" how neural networks process natural images. This can be used as a sanity check for feature visualizations. We underpin our empirical findings by theory proving that the set of functions that can be reliably understood by feature visualization is extremely small and does not include general black-box neural networks. Therefore, a promising way forward could be the development of networks that enforce certain structures in order to ensure more reliable feature visualizations.
Auctionformer: A Unified Deep Learning Algorithm for Solving Equilibrium Strategies in Auction Games
Authors: Kexin Huang; Ziqian Chen; Xue Wang; Chongming Gao; Jinyang Gao; Bolin Ding; Xiang Wang
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: Auction games have been widely used in plenty of trading environments such as online advertising and real estate. The complexity of real-world scenarios, characterized by diverse auction mechanisms and bidder asymmetries, poses significant challenges in efficiently solving for equilibria. Traditional learning approaches often face limitations due to their specificity to certain settings and high resource demands. Addressing this, we introduce *Auctionformer*, an efficient transformer-based method to solve equilibria of diverse auctions in a unified framework. Leveraging the flexible tokenization schemes, Auctionformer translates varying auction games into a standard token series, making use of renowned Transformer architectures. Moreover, we employ Nash error as the loss term, sidestepping the need for underlying equilibrium solutions and enabling efficient training and inference. Furthermore, a few-shot framework supports adaptability to new mechanisms, reinforced by a self-supervised fine-tuning approach. Extensive experimental results affirm the superior performance of Auctionformer over contemporary methods, heralding its potential for broad real-world applications.
Sparse Dimensionality Reduction Revisited
Authors: Mikael Møller Høgsgaard; Lior Kamma; Kasper Green Larsen; Jelani Nelson; Chris Schwiegelshohn
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: The sparse Johnson-Lindenstrauss transform is one of the central techniques in dimensionality reduction. It supports embedding a set of $n$ points in $\mathbb{R}^d$ into $m=O(\varepsilon^{-2} \ln n)$ dimensions while preserving all pairwise distances to within $1 \pm \varepsilon$. Each input point $x$ is embedded to $Ax$, where $A$ is an $m \times d$ matrix having $s$ non-zeros per column, allowing for an embedding time of $O(s \|x\|_0)$. Since the sparsity of $A$ governs the embedding time, much work has gone into improving the sparsity $s$. The current state-of-the-art by Kane and Nelson (2014) shows that $s = O(\varepsilon^{-1} \ln n)$ suffices. This is almost matched by a lower bound of $s = \Omega(\varepsilon^{-1} \ln n/\ln(1/\varepsilon))$ by Nelson and Nguyen (2013) for $d=\Omega(n)$. Previous work thus suggests that we have near-optimal embeddings. In this work, we revisit sparse embeddings and present a sparser embedding for instances in which $d = n^{o(1)}$, which in many applications is realistic. Formally, our embedding achieves $s = O(\varepsilon^{-1}(\ln n/\ln(1/\varepsilon)+\ln^{2/3}n \ln^{1/3} d))$. We also complement our analysis by strengthening the lower bound of Nelson and Nguyen to hold also when $d \ll n$, thereby matching the first term in our new sparsity upper bound. Finally, we also improve the sparsity of the best oblivious subspace embeddings for optimal embedding dimensionality.
Ambiguity-Aware Abductive Learning
Authors: Hao-Yuan He; Hui Sun; Zheng Xie; Ming Li
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: Abductive Learning (ABL) is a promising framework for integrating sub-symbolic perception and logical reasoning through abduction. In this case, the abduction process provides supervision for the perception model from the background knowledge. Nevertheless, this process naturally contains uncertainty, since the knowledge base may be satisfied by numerous potential candidates. This implies that the result of the abduction process, i.e., a set of candidates, is ambiguous; both correct and incorrect candidates are mixed in this set. The prior art of abductive learning selects the candidate that has the minimal inconsistency of the knowledge base. However, this method overlooks the ambiguity in the abduction process and is prone to error when it fails to identify the correct candidates. To address this, we propose Ambiguity-Aware Abductive Learning ($\textrm{A}^3\textrm{BL}$), which evaluates all potential candidates and their probabilities, thus preventing the model from falling into sub-optimal solutions. Both experimental results and theoretical analyses prove that $\textrm{A}^3\textrm{BL}$ markedly enhances ABL by efficiently exploiting the ambiguous abduced supervision.
Tackling Non-Stationarity in Reinforcement Learning via Causal-Origin Representation
Authors: Wanpeng Zhang; Yilin Li; Boyu Yang; Zongqing Lu
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: In real-world scenarios, the application of reinforcement learning is significantly challenged by complex non-stationarity. Most existing methods attempt to model changes in the environment explicitly, often requiring impractical prior knowledge of environments. In this paper, we propose a new perspective, positing that non-stationarity can propagate and accumulate through complex causal relationships during state transitions, thereby compounding its sophistication and affecting policy learning. We believe that this challenge can be more effectively addressed by implicitly tracing the causal origin of non-stationarity. To this end, we introduce the Causal-Origin REPresentation (COREP) algorithm. COREP primarily employs a guided updating mechanism to learn a stable graph representation for the state, termed as causal-origin representation. By leveraging this representation, the learned policy exhibits impressive resilience to non-stationarity. We supplement our approach with a theoretical analysis grounded in the causal interpretation for non-stationary reinforcement learning, advocating for the validity of the causal-origin representation. Experimental results further demonstrate the superior performance of COREP over existing methods in tackling non-stationarity problems. The code is available at https://github.com/PKU-RL/COREP.
Non-convex Stochastic Composite Optimization with Polyak Momentum
Authors: Yuan Gao; Anton Rodomanov; Sebastian U Stich
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: The stochastic proximal gradient method is a powerful generalization of the widely used stochastic gradient descent (SGD) method and has found numerous applications in Machine Learning. However, it is notoriously known that this method fails to converge in non-convex settings where the stochastic noise is significant (i.e. when only small or bounded batch sizes are used). In this paper, we focus on the stochastic proximal gradient method with Polyak momentum. We prove this method attains an optimal convergence rate for non-convex composite optimization problems, regardless of batch size. Additionally, we rigorously analyze the variance reduction effect of the Polyak momentum in the composite optimization setting and we show the method also converges when the proximal step can only be solved inexactly. Finally, we provide numerical experiments to validate our theoretical results.
Federated Optimization with Doubly Regularized Drift Correction
Authors: Xiaowen Jiang; Anton Rodomanov; Sebastian U Stich
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: Federated learning is a distributed optimization paradigm that allows training machine learning models across decentralized devices while keeping the data localized. The standard method, FedAvg, suffers from client drift which can hamper performance and increase communication costs over centralized methods. Previous works proposed various strategies to mitigate drift, yet none have shown consistently improved communication-computation trade-offs over vanilla gradient descent across all standard function classes. In this work, we revisit DANE, an established method in distributed optimization. We show that (i) DANE can achieve the desired communication reduction under Hessian similarity constraints. Furthermore, (ii) we present an extension, DANE+, which supports arbitrary inexact local solvers and has more freedom to choose how to aggregate the local updates. We propose (iii) a novel method, FedRed, which has improved local computational complexity and retains the same communication complexity compared to DANE/DANE+. This is achieved by doubly regularized drift correction.