GenAI4ELab/papercli-papers huggingface dataset:
Online Isolation Forest
Authors: Filippo Leveni; Guilherme Weigert Cassales; Bernhard Pfahringer; Albert Bifet; Giacomo Boracchi
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: The anomaly detection literature is abundant with offline methods, which require repeated access to data in memory, and impose impractical assumptions when applied to a streaming context. Existing online anomaly detection methods also generally fail to address these constraints, resorting to periodic retraining to adapt to the online context. We propose Online-iForest, a novel method explicitly designed for streaming conditions that seamlessly tracks the data generating process as it evolves over time. Experimental validation on real-world datasets demonstrated that Online-iForest is on par with online alternatives and closely rivals state-of-the-art offline anomaly detection techniques that undergo periodic retraining. Notably, Online-iForest consistently outperforms all competitors in terms of efficiency, making it a promising solution in applications where fast identification of anomalies is of primary importance such as cybersecurity, fraud and fault detection.
Neural operators meet conjugate gradients: The FCG-NO method for efficient PDE solving
Authors: Alexander Rudikov; Vladimir Fanaskov; Ekaterina Muravleva; Yuri M. Laevsky; Ivan Oseledets
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: Deep learning solvers for partial differential equations typically have limited accuracy. We propose to overcome this problem by using them as preconditioners. More specifically, we apply discretization-invariant neural operators to learn preconditioners for the flexible conjugate gradient method (FCG). Architecture paired with novel loss function and training scheme allows for learning efficient preconditioners that can be used across different resolutions. On the theoretical side, FCG theory allows us to safely use nonlinear preconditioners that can be applied in $O(N)$ operations without constraining the form of the preconditioners matrix. To justify learning scheme components (the loss function and the way training data is collected) we perform several ablation studies. Numerical results indicate that our approach favorably compares with classical preconditioners and allows to reuse of preconditioners learned for lower resolution to the higher resolution data.
IOI: Invisible One-Iteration Adversarial Attack on No-Reference Image- and Video-Quality Metrics
Authors: Ekaterina Shumitskaya; Anastasia Antsiferova; Dmitriy S. Vatolin
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: No-reference image- and video-quality metrics are widely used in video processing benchmarks. The robustness of learning-based metrics under video attacks has not been widely studied. In addition to having success, attacks on metrics that can be employed in video processing benchmarks must be fast and imperceptible. This paper introduces an Invisible One-Iteration (IOI) adversarial attack on no-reference image and video quality metrics. The proposed method uses two modules to ensure high visual quality and temporal stability of adversarial videos and runs for one iteration, which makes it fast. We compared our method alongside eight prior approaches using image and video datasets via objective and subjective tests. Our method exhibited superior visual quality across various attacked metric architectures while maintaining comparable attack success and speed. We made the code available on GitHub: https://github.com/katiashh/ioi-attack.
$f$-Divergence Based Classification: Beyond the Use of Cross-Entropy
Authors: Nicola Novello; Andrea M Tonello
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: In deep learning, classification tasks are formalized as optimization problems often solved via the minimization of the cross-entropy. However, recent advancements in the design of objective functions allow the usage of the $f$-divergence to generalize the formulation of the optimization problem for classification. We adopt a Bayesian perspective and formulate the classification task as a maximum a posteriori probability problem. We propose a class of objective functions based on the variational representation of the $f$-divergence. Furthermore, driven by the challenge of improving the state-of-the-art approach, we propose a bottom-up method that leads us to the formulation of an objective function corresponding to a novel $f$-divergence referred to as shifted log (SL). We theoretically analyze the objective functions proposed and numerically test them in three application scenarios: toy examples, image datasets, and signal detection/decoding problems. The analyzed scenarios demonstrate the effectiveness of the proposed approach and that the SL divergence achieves the highest classification accuracy in almost all the considered cases.
Controllable Prompt Tuning For Balancing Group Distributional Robustness
Authors: Hoang Phan; Andrew Gordon Wilson; Qi Lei
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: Models trained on data composed of different groups or domains can suffer from severe performance degradation under distribution shifts. While recent methods have largely focused on optimizing the worst-group objective, this often comes at the expense of good performance on other groups. To address this problem, we introduce an optimization scheme to achieve good performance across groups and find a good solution for all without severely sacrificing performance on any of them. However, directly applying such optimization involves updating the parameters of the entire network, making it both computationally expensive and challenging. Thus, we introduce Controllable Prompt Tuning (CPT), which couples our approach with prompt-tuning techniques. On spurious correlation benchmarks, our procedures achieve state-of-the-art results across both transformer and non-transformer architectures, as well as unimodal and multimodal data, while requiring only $0.4\%$ tunable parameters.
On Convergence of Incremental Gradient for Non-convex Smooth Functions
Authors: Anastasia Koloskova; Nikita Doikov; Sebastian U Stich; Martin Jaggi
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: In machine learning and neural network optimization, algorithms like incremental gradient, single shuffle SGD, and random reshuffle SGD are popular due to their cache-mismatch efficiency and good practical convergence behavior. However, their optimization properties in theory, especially for non-convex smooth functions, remain incompletely explored. This paper delves into the convergence properties of SGD algorithms with arbitrary data ordering, within a broad framework for non-convex smooth functions. Our findings show enhanced convergence guarantees for incremental gradient and single shuffle SGD. Particularly if $n$ is the training set size, we improve $n$ times the optimization term of convergence guarantee to reach accuracy $\epsilon$ from $O \left( \frac{n}{\epsilon} \right)$ to $O \left( \frac{1}{\epsilon}\right)$.
Position: Key Claims in LLM Research Have a Long Tail of Footnotes
Authors: Anna Rogers; Sasha Luccioni
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: Much of the recent discourse within the ML community has been centered around Large Language Models (LLMs), their functionality and potential -- yet not only do we not have a working definition of LLMs, but much of this discourse relies on claims and assumptions that are worth re-examining. We contribute a definition of LLMs, critically examine five common claims regarding their properties (including 'emergent properties'), and conclude with suggestions for future research directions and their framing.
Risk Aware Benchmarking of Large Language Models
Authors: Apoorva Nitsure; Youssef Mroueh; Mattia Rigotti; Kristjan Greenewald; Brian Belgodere; Mikhail Yurochkin; Jiri Navratil; Igor Melnyk; Jarret Ross
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: We propose a distributional framework for benchmarking socio-technical risks of foundation models with quantified statistical significance. Our approach hinges on a new statistical relative testing based on first and second order stochastic dominance of real random variables. We show that the second order statistics in this test are linked to mean-risk models commonly used in econometrics and mathematical finance to balance risk and utility when choosing between alternatives. Using this framework, we formally develop a risk-aware approach for foundation model selection given guardrails quantified by specified metrics. Inspired by portfolio optimization and selection theory in mathematical finance, we define a metrics portfolio for each model as a means to aggregate a collection of metrics, and perform model selection based on the stochastic dominance of these portfolios. The statistical significance of our tests is backed theoretically by an asymptotic analysis via central limit theorems instantiated in practice via a bootstrap variance estimate. We use our framework to compare various large language models regarding risks related to drifting from instructions and outputting toxic content.
Boosting Offline Optimizers with Surrogate Sensitivity
Authors: Manh Cuong Dao; Phi Le Nguyen; Thao Nguyen Truong; Trong Nghia Hoang
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: Offline optimization is an important task in numerous material engineering domains where online experimentation to collect data is too expensive and needs to be replaced by an in silico maximization of a surrogate of the black-box function. Although such a surrogate can be learned from offline data, its prediction might not be reliable outside the offline data regime, which happens when the surrogate has narrow prediction margin and is (therefore) sensitive to small perturbations of its parameterization. This raises the following questions: (1) how to regulate the sensitivity of a surrogate model; and (2) whether conditioning an offline optimizer with such less sensitive surrogate will lead to better optimization performance. To address these questions, we develop an optimizable sensitivity measurement for the surrogate model, which then inspires a sensitivity-informed regularizer that is applicable to a wide range of offline optimizers. This development is both orthogonal and synergistic to prior research on offline optimization, which is demonstrated in our extensive experiment benchmark.
Diffusion Models Encode the Intrinsic Dimension of Data Manifolds
Authors: Jan Pawel Stanczuk; Georgios Batzolis; Teo Deveney; Carola-Bibiane Schönlieb
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: In this work, we provide a mathematical proof that diffusion models encode data manifolds by approximating their normal bundles. Based on this observation we propose a novel method for extracting the intrinsic dimension of the data manifold from a trained diffusion model. Our insights are based on the fact that a diffusion model approximates the score function i.e. the gradient of the log density of a noise-corrupted version of the target distribution for varying levels of corruption. We prove that as the level of corruption decreases, the score function points towards the manifold, as this direction becomes the direction of maximal likelihood increase. Therefore, at low noise levels, the diffusion model provides us with an approximation of the manifold's normal bundle, allowing for an estimation of the manifold's intrinsic dimension. To the best of our knowledge our method is the first estimator of intrinsic dimension based on diffusion models and it outperforms well established estimators in controlled experiments on both Euclidean and image data.
Conformal prediction for multi-dimensional time series by ellipsoidal sets
Authors: Chen Xu; Hanyang Jiang; Yao Xie
Venue: ICML 2024 (ICML 2024 Spotlight)

Abstract: Conformal prediction (CP) has been a popular method for uncertainty quantification because it is distribution-free, model-agnostic, and theoretically sound. For forecasting problems in supervised learning, most CP methods focus on building prediction intervals for univariate responses. In this work, we develop a sequential CP method called $\texttt{MultiDimSPCI}$ that builds prediction $\textit{regions}$ for a multivariate response, especially in the context of multivariate time series, which are not exchangeable. Theoretically, we estimate $\textit{finite-sample}$ high-probability bounds on the conditional coverage gap. Empirically, we demonstrate that $\texttt{MultiDimSPCI}$ maintains valid coverage on a wide range of multivariate time series while producing smaller prediction regions than CP and non-CP baselines.
Fast, Scalable, Warm-Start Semidefinite Programming with Spectral Bundling and Sketching
Authors: Rico Angell; Andrew McCallum
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: While semidefinite programming (SDP) has traditionally been limited to moderate-sized problems, recent algorithms augmented with matrix sketching techniques have enabled solving larger SDPs. However, these methods achieve scalability at the cost of an increase in the number of necessary iterations, resulting in slower convergence as the problem size grows. Furthermore, they require iteration-dependent parameter schedules that prohibit effective utilization of warm-start initializations important in practical applications with incrementally-arriving data or mixed-integer programming. We present Unified Spectral Bundling with Sketching (USBS), a provably correct, fast and scalable algorithm for solving massive SDPs that can leverage a warm-start initialization to further accelerate convergence. Our proposed algorithm is a spectral bundle method for solving general SDPs containing both equality and inequality constraints. Moveover, when augmented with an optional matrix sketching technique, our algorithm achieves the dramatically improved scalability of previous work while sustaining convergence speed. We empirically demonstrate the effectiveness of our method across multiple applications, with and without warm-starting. For example, USBS provides a 500x speed-up over the state-of-the-art scalable SDP solver on an instance with over 2 billion decision variables. We make our implementation in pure JAX publicly available.
VNN: Verification-Friendly Neural Networks with Hard Robustness Guarantees
Authors: Anahita Baninajjar; Ahmed Rezine; Amir Aminifar
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: Machine learning techniques often lack formal correctness guarantees, evidenced by the widespread adversarial examples that plague most deep-learning applications. This lack of formal guarantees resulted in several research efforts that aim at verifying Deep Neural Networks (DNNs), with a particular focus on safety-critical applications. However, formal verification techniques still face major scalability and precision challenges. The over-approximation introduced during the formal verification process to tackle the scalability challenge often results in inconclusive analysis. To address this challenge, we propose a novel framework to generate Verification-Friendly Neural Networks (VNNs). We present a post-training optimization framework to achieve a balance between preserving prediction performance and verification-friendliness. Our proposed framework results in VNNs that are comparable to the original DNNs in terms of prediction performance, while amenable to formal verification techniques. This essentially enables us to establish robustness for more VNNs than their DNN counterparts, in a time-efficient manner.
MLLM-as-a-Judge: Assessing Multimodal LLM-as-a-Judge with Vision-Language Benchmark
Authors: Dongping Chen; Ruoxi Chen; Shilin Zhang; Yaochen Wang; Yinuo Liu; Huichi Zhou; Qihui Zhang; Yao Wan; Pan Zhou; Lichao Sun
Venue: ICML 2024 (ICML 2024 Oral)

Abstract: Multimodal Large Language Models (MLLMs) have gained significant attention recently, showing remarkable potential in artificial general intelligence. However, assessing the utility of MLLMs presents considerable challenges, primarily due to the absence multimodal benchmarks that align with human preferences. Drawing inspiration from the concept of LLM-as-a-Judge within LLMs, this paper introduces a novel benchmark, termed MLLM-as-a-Judge, to assess the ability of MLLMs in assisting judges across diverse modalities, encompassing three distinct tasks: Scoring Evaluation, Pair Comparison, and Batch Ranking. Our study reveals that, while MLLMs demonstrate remarkable human-like discernment in Pair Comparisons, there is a significant divergence from human preferences in Scoring Evaluation and Batch Ranking tasks. Furthermore, a closer examination reveals persistent challenges in the evaluative capacities of LLMs, including diverse biases, hallucinatory responses, and inconsistencies in judgment, even in advanced models such as GPT-4V. These findings emphasize the pressing need for enhancements and further research efforts to be undertaken before regarding MLLMs as fully reliable evaluators. In light of this, we advocate for additional efforts dedicated to supporting the continuous development within the domain of MLLM functioning as judges. The code and dataset are publicly available at our project homepage: https://mllm-judge.github.io/.
Community-Invariant Graph Contrastive Learning
Authors: Shiyin Tan; Dongyuan Li; Renhe Jiang; Ying Zhang; Manabu Okumura
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: Graph augmentation has received great attention in recent years for graph contrastive learning (GCL) to learn well-generalized node/graph representations. However, mainstream GCL methods often favor randomly disrupting graphs for augmentation, which shows limited generalization and inevitably leads to the corruption of high-level graph information, i.e., the graph community. Moreover, current knowledge-based graph augmentation methods can only focus on either topology or node features, causing the model to lack robustness against various types of noise. To address these limitations, this research investigated the role of the graph community in graph augmentation and figured out its crucial advantage for learnable graph augmentation. Based on our observations, we propose a community-invariant GCL framework to maintain graph community structure during learnable graph augmentation. By maximizing the spectral changes, this framework unifies the constraints of both topology and feature augmentation, enhancing the model's robustness. Empirical evidence on 21 benchmark datasets demonstrates the exclusive merits of our framework. Code is released on Github (https://github.com/ShiyinTan/CI-GCL.git).
Fair Classification with Partial Feedback: An Exploration-Based Data Collection Approach
Authors: Vijay Keswani; Anay Mehrotra; L. Elisa Celis
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: In many predictive contexts (e.g., credit lending), true outcomes are only observed for samples that were positively classified in the past. These past observations, in turn, form training datasets for classifiers that make future predictions. However, such training datasets lack information about the outcomes of samples that were (incorrectly) negatively classified in the past and can lead to erroneous classifiers. We present an approach that trains a classifier using available data and comes with a family of exploration strategies to collect outcome data about subpopulations that otherwise would have been ignored. For any exploration strategy, the approach comes with guarantees that (1) all sub-populations are explored, (2) the fraction of false positives is bounded, and (3) the trained classifier converges to a "desired" classifier. The right exploration strategy is context-dependent; it can be chosen to improve learning guarantees and encode context-specific group fairness properties. Evaluation on real-world datasets shows that this approach consistently boosts the quality of collected outcome data and improves the fraction of true positives for all groups, with only a small reduction in predictive utility.
Convergence and Trade-Offs in Riemannian Gradient Descent and Riemannian Proximal Point
Authors: David Martínez-Rubio; Christophe Roux; Sebastian Pokutta
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: In this work, we analyze two of the most fundamental algorithms in geodesically convex optimization: Riemannian gradient descent and (possibly inexact) Riemannian proximal point. We quantify their rates of convergence and produce different variants with several trade-offs. Crucially, we show the iterates naturally stay in a ball around an optimizer, of radius depending on the initial distance and, in some cases, on the curvature. Previous works simply assumed bounded iterates, resulting in rates that were not fully quantified. We also provide an implementable inexact proximal point algorithm and prove several new useful properties of Riemannian proximal methods: they work when positive curvature is present, the proximal operator does not move points away from any optimizer, and we quantify the smoothness of its induced Moreau envelope. Further, we explore beyond our theory with empirical tests.
Stochastic Gradient Flow Dynamics of Test Risk and its Exact Solution for Weak Features
Authors: Rodrigo Veiga; Anastasia Remizova; Nicolas Macris
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: We investigate the test risk of a continuous time stochastic gradient flow dynamics in learning theory. Using a path integral formulation we provide, in the regime of small learning rate, a general formula for computing the difference between test risk curves of pure gradient and stochastic gradient flows. We apply the general theory to a simple model of weak features, which displays the double descent phenomenon, and explicitly compute the corrections brought about by the added stochastic term in the dynamics, as a function of time and model parameters. The analytical results are compared to simulations of discrete time stochastic gradient descent and show good agreement.
Rethinking Specificity in SBDD: Leveraging Delta Score and Energy-Guided Diffusion
Authors: Bowen Gao; Minsi Ren; Yuyan Ni; Yanwen Huang; Bo Qiang; Zhi-Ming Ma; Wei-Ying Ma; Yanyan Lan
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: In the field of Structure-based Drug Design (SBDD), deep learning-based generative models have achieved outstanding performance in terms of docking score. However, further study shows that the existing molecular generative methods and docking scores both have lacked consideration in terms of specificity, which means that generated molecules bind to almost every protein pocket with high affinity. To address this, we introduce the Delta Score, a new metric for evaluating the specificity of molecular binding. To further incorporate this insight for generation, we develop an innovative energy-guided approach using contrastive learning, with active compounds as decoys, to direct generative models toward creating molecules with high specificity. Our empirical results show that this method not only enhances the delta score but also maintains or improves traditional docking scores, successfully bridging the gap between SBDD and real-world needs.
Enhancing Sufficient Dimension Reduction via Hellinger Correlation
Authors: SeungBeom Hong; Ilmun Kim; Jun Song
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: In this work, we develop a new theory and method for sufficient dimension reduction (SDR) in single-index models, where SDR is a sub-field of supervised dimension reduction based on conditional independence. Our work is primarily motivated by the recent introduction of the Hellinger correlation as a dependency measure. Utilizing this measure, we have developed a method capable of effectively detecting the dimension reduction subspace, complete with theoretical justification. Through extensive numerical experiments, we demonstrate that our proposed method significantly enhances and outperforms existing SDR methods. This improvement is largely attributed to our proposed method's deeper understanding of data dependencies and the refinement of existing SDR techniques.