mtybilly/Instruct2DS huggingface dataset:
Hypergraph-enhanced Dual Semi-supervised Graph Classification
Authors: Wei Ju, Zhengyang Mao, Siyu Yi, Yifang Qin, Yiyang Gu, Zhiping Xiao, Yifan Wang, Xiao Luo, Ming Zhang
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: In this paper, we study semi-supervised graph classification, which aims at accurately predicting the categories of graphs in scenarios with limited labeled graphs and abundant unlabeled graphs. Despite the promising capability of graph neural networks (GNNs), they typically require a large number of costly labeled graphs, while a wealth of unlabeled graphs fail to be effectively utilized. Moreover, GNNs are inherently limited to encoding local neighborhood information using message-passing mechanisms, thus lacking the ability to model higher-order dependencies among nodes. To tackle these challenges, we propose a Hypergraph-Enhanced DuAL framework named HEAL for semi-supervised graph classification, which captures graph semantics from the perspective of the hypergraph and the line graph, respectively. Specifically, to better explore the higher-order relationships among nodes, we design a hypergraph structure learning to adaptively learn complex node dependencies beyond pairwise relations. Meanwhile, based on the learned hypergraph, we introduce a line graph to capture the interaction between hyperedges, thereby better mining the underlying semantic structures. Finally, we develop a relational consistency learning to facilitate knowledge transfer between the two branches and provide better mutual guidance. Extensive experiments on real-world graph datasets verify the effectiveness of the proposed method against existing state-of-the-art methods.
NaturalSpeech 3: Zero-Shot Speech Synthesis with Factorized Codec and Diffusion Models
Authors: Zeqian Ju, Yuancheng Wang, Kai Shen, Xu Tan, Detai Xin, Dongchao Yang, Eric Liu, Yichong Leng, Kaitao Song, Siliang Tang, Zhizheng Wu, Tao Qin, Xiangyang Li, Wei Ye, Shikun Zhang, Jiang Bian, Lei He, Jinyu Li, Sheng Zhao
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: While recent large-scale text-to-speech (TTS) models have achieved significant progress, they still fall shorts in speech quality, similarity, and prosody. Considering that speech intricately encompasses various attributes (e.g., content, prosody, timbre, and acoustic details) that pose significant challenges for generation, a natural idea is to factorize speech into individual subspaces representing different attributes and generate them individually. Motivated by it, we propose a TTS system with novel factorized diffusion models to generate natural speech in a zero-shot way. Specifically, 1) we design a neural codec with factorized vector quantization (FVQ) to disentangle speech waveform into subspaces of content, prosody, timbre, and acoustic details; 2) we propose a factorized diffusion model, which generates attributes in each subspace following its corresponding prompt. With this factorization design, our method can effectively and efficiently model the intricate speech with disentangled subspaces in a divide-and-conquer way. Experimental results show that our method outperforms the state-of-the-art TTS systems on quality, similarity, prosody, and intelligibility.
Is Epistemic Uncertainty Faithfully Represented by Evidential Deep Learning Methods?
Authors: Mira Juergens, Nis Meinert, Viktor Bengs, Eyke Hüllermeier, Willem Waegeman
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Trustworthy ML systems should not only return accurate predictions, but also a reliable representation of their uncertainty. Bayesian methods are commonly used to quantify both aleatoric and epistemic uncertainty, but alternative approaches, such as evidential deep learning methods, have become popular in recent years. The latter group of methods in essence extends empirical risk minimization (ERM) for predicting second-order probability distributions over outcomes, from which measures of epistemic (and aleatoric) uncertainty can be extracted. This paper presents novel theoretical insights of evidential deep learning, highlighting the difficulties in optimizing second-order loss functions and interpreting the resulting epistemic uncertainty measures. With a systematic setup that covers a wide range of approaches for classification, regression and counts, it provides novel insights into issues of identifiability and convergence in second-order loss minimization, and the relative (rather than absolute) nature of epistemic uncertainty measures.
Noise-Adaptive Confidence Sets for Linear Bandits and Application to Bayesian Optimization
Authors: Kwang-Sung Jun, Jungtaek Kim
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Adapting to a priori unknown noise level is a very important but challenging problem in sequential decision-making as efficient exploration typically requires knowledge of the noise level, which is often loosely specified. We report significant progress in addressing this issue in linear bandits in two respects. First, we propose a novel confidence set that is ’semi-adaptive’ to the unknown sub-Gaussian parameter $σ_*^2$ in the sense that the (normalized) confidence width scales with $\sqrtdσ_*^2 + σ_0^2$ where $d$ is the dimension and $σ_0^2$ is the specified sub-Gaussian parameter (known) that can be much larger than $σ_*^2$. This is a significant improvement over $\sqrtdσ_0^2$ of the standard confidence set of Abbasi-Yadkori et al. (2011), especially when $d$ is large. We show that this leads to an improved regret bound in linear bandits. Second, for bounded rewards, we propose a novel variance-adaptive confidence set that has a much improved numerical performance upon prior art. We then apply this confidence set to develop, as we claim, the first practical variance-adaptive linear bandit algorithm via an optimistic approach, which is enabled by our novel regret analysis technique. Both of our confidence sets rely critically on ‘regret equality’ from online learning. Our empirical evaluation in Bayesian optimization tasks shows that our algorithms demonstrate better or comparable performance compared to existing methods.
Unsupervised Episode Generation for Graph Meta-learning
Authors: Jihyeong Jung, Sangwoo Seo, Sungwon Kim, Chanyoung Park
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: We propose Unsupervised Episode Generation method called <b>Neighbors as Queries (NaQ)</b> to solve the Few-Shot Node-Classification (FSNC) task by <em>unsupervised Graph Meta-learning</em>. Doing so enables full utilization of the information of all nodes in a graph, which is not possible in current supervised meta-learning methods for FSNC due to the label-scarcity problem. In addition, unlike unsupervised Graph Contrastive Learning (GCL) methods that overlook the downstream task to be solved at the training phase resulting in vulnerability to class imbalance of a graph, we adopt the episodic learning framework that allows the model to be aware of the downstream task format, i.e., FSNC. The proposed NaQ is a simple but effective <em>unsupervised</em> episode generation method that randomly samples nodes from a graph to make a support set, followed by similarity-based sampling of nodes to make the corresponding query set. Since NaQ is <em>model-agnostic</em>, any existing supervised graph meta-learning methods can be trained in an unsupervised manner, while not sacrificing much of their performance or sometimes even improving them. Extensive experimental results demonstrate the effectiveness of our proposed unsupervised episode generation method for graph meta-learning towards the FSNC task. Our code is available at: https://github.com/JhngJng/NaQ-PyTorch.
PruNeRF: Segment-Centric Dataset Pruning via 3D Spatial Consistency
Authors: Yeonsung Jung, Heecheol Yun, Joonhyung Park, Jin-Hwa Kim, Eunho Yang
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Neural Radiance Fields (NeRF) have shown remarkable performance in learning 3D scenes. However, NeRF exhibits vulnerability when confronted with distractors in the training images – unexpected objects are present only within specific views, such as moving entities like pedestrians or birds. Excluding distractors during dataset construction is a straightforward solution, but without prior knowledge of their types and quantities, it becomes prohibitively expensive. In this paper, we propose PruNeRF, a segment-centric dataset pruning framework via 3D spatial consistency, that effectively identifies and prunes the distractors. We first examine existing metrics for measuring pixel-wise distraction and introduce Influence Functions for more accurate measurements. Then, we assess 3D spatial consistency using a depth-based reprojection technique to obtain 3D-aware distraction. Furthermore, we incorporate segmentation for pixel-to-segment refinement, enabling more precise identification. Our experiments on benchmark datasets demonstrate that PruNeRF consistently outperforms state-of-the-art methods in robustness against distractors.
Leveraging VLM-Based Pipelines to Annotate 3D Objects
Authors: Rishabh Kabra, Loic Matthey, Alexander Lerchner, Niloy Mitra
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Pretrained vision language models (VLMs) present an opportunity to caption unlabeled 3D objects at scale. The leading approach to summarize VLM descriptions from different views of an object (Luo et al., 2023) relies on a language model (GPT4) to produce the final output. This text-based aggregation is susceptible to hallucinations as it merges potentially contradictory descriptions. We propose an alternative algorithm to marginalize over factors such as the viewpoint that affect the VLM’s response. Instead of merging text-only responses, we utilize the VLM’s joint image-text likelihoods. We show our probabilistic aggregation is not only more reliable and efficient, but sets the SoTA on inferring object types with respect to human-verified labels. The aggregated annotations are also useful for conditional inference; they improve downstream predictions (e.g., of object material) when the object’s type is specified as an auxiliary text-based input. Such auxiliary inputs allow ablating the contribution of visual reasoning over visionless reasoning in an unsupervised setting. With these supervised and unsupervised evaluations, we show how a VLM-based pipeline can be leveraged to produce reliable annotations for 764K objects from the Objaverse dataset.
PolySketchFormer: Fast Transformers via Sketching Polynomial Kernels
Authors: Praneeth Kacham, Vahab Mirrokni, Peilin Zhong
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: The quadratic time and memory complexity inherent to self-attention mechanisms, with respect to sequence length, presents a critical computational bottleneck in the training and deployment of large-scale Transformer-based language models. Recent theoretical results indicate the intractability of sub-quadratic softmax attention approximation under reasonable complexity assumptions. This paper addresses this challenge by first demonstrating that polynomial attention with high degree can effectively replace softmax without sacrificing model quality. Next, we develop polynomial sketching techniques from numerical linear algebra to achieve linear-time polynomial attention with approximation guarantees. Crucially, our approach achieves this speedup without requiring the sparsification of attention matrices. We also present a block-based algorithm to apply causal masking efficiently. Combining these techniques, we provide <em>PolySketchFormer</em>, a practical linear-time Transformer architecture for language modeling that offers provable guarantees. We validate PolySketchFormer empirically by training language models capable of handling long contexts. These experiments utilize both synthetic and real-world datasets (PG19, Wikipedia and C4) on Google Cloud TPUs. For context lengths of 32k and GPT-2 style models, our model achieves 2x speedup in training compared to FlashAttention of the fastest configuration, with no observed degradation in quality across our experiments.
Surprisingly Strong Performance Prediction with Neural Graph Features
Authors: Gabriela Kadlecová, Jovita Lukasik, Martin Pilát, Petra Vidnerová, Mahmoud Safari, Roman Neruda, Frank Hutter
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Performance prediction has been a key part of the neural architecture search (NAS) process, allowing to speed up NAS algorithms by avoiding resource-consuming network training. Although many performance predictors correlate well with ground truth performance, they require training data in the form of trained networks. Recently, zero-cost proxies have been proposed as an efficient method to estimate network performance without any training. However, they are still poorly understood, exhibit biases with network properties, and their performance is limited. Inspired by the drawbacks of zero-cost proxies, we propose neural graph features (GRAF), simple to compute properties of architectural graphs. GRAF offers fast and interpretable performance prediction while outperforming zero-cost proxies and other common encodings. In combination with other zero-cost proxies, GRAF outperforms most existing performance predictors at a fraction of the cost.
EvTexture: Event-driven Texture Enhancement for Video Super-Resolution
Authors: Dachun Kai, Jiayao Lu, Yueyi Zhang, Xiaoyan Sun
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Event-based vision has drawn increasing attention due to its unique characteristics, such as high temporal resolution and high dynamic range. It has been used in video super-resolution (VSR) recently to enhance the flow estimation and temporal alignment. Rather than for motion learning, we propose in this paper the first VSR method that utilizes event signals for texture enhancement. Our method, called EvTexture, leverages high-frequency details of events to better recover texture regions in VSR. In our EvTexture, a new texture enhancement branch is presented. We further introduce an iterative texture enhancement module to progressively explore the high-temporal-resolution event information for texture restoration. This allows for gradual refinement of texture regions across multiple iterations, leading to more accurate and rich high-resolution details. Experimental results show that our EvTexture achieves state-of-the-art performance on four datasets. For the Vid4 dataset with rich textures, our method can get up to 4.67dB gain compared with recent event-based methods. Code: https://github.com/DachunKai/EvTexture.
Beyond the Calibration Point: Mechanism Comparison in Differential Privacy
Authors: Georgios Kaissis, Stefan Kolek, Borja Balle, Jamie Hayes, Daniel Rueckert
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: In differentially private (DP) machine learning, the privacy guarantees of DP mechanisms are often reported and compared on the basis of a single $(ɛ, δ)$-pair. This practice overlooks that DP guarantees can vary substantially even between mechanisms sharing a given $(ɛ, δ)$, and potentially introduces privacy vulnerabilities which can remain undetected. This motivates the need for robust, rigorous methods for comparing DP guarantees in such cases. Here, we introduce the $Δ$-divergence between mechanisms which quantifies the worst-case excess privacy vulnerability of choosing one mechanism over another in terms of $(ɛ, δ)$, $f$-DP and in terms of a newly presented Bayesian interpretation. Moreover, as a generalisation of the Blackwell theorem, it is endowed with strong decision-theoretic foundations. Through application examples, we show that our techniques can facilitate informed decision-making and reveal gaps in the current understanding of privacy risks, as current practices in DP-SGD often result in choosing mechanisms with high excess privacy vulnerabilities.
Replicable Learning of Large-Margin Halfspaces
Authors: Alkis Kalavasis, Amin Karbasi, Kasper Green Larsen, Grigoris Velegkas, Felix Zhou
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: We provide an efficient replicable algorithm for the problem of learning large-margin halfspaces. Our results improve upon the algorithms provided by Impagliazzo, Lei, Pitassi, and Sorrell (STOC, 2022). We design the first dimension-independent replicable algorithm for this task which runs in polynomial time, is proper, and has strictly improved sample complexity compared to the one achieved by Impagliazzo et al. (STOC, 2022) with respect to all the relevant parameters. Moreover, our algorithm has sample complexity that is optimal with respect to the accuracy parameter $ε$. Departing from the requirement of polynomial time algorithms, using the DP-to-Replicability reduction of Bun et al. (STOC 2023), we show how to obtain a replicable algorithm for large-margin halfspaces with improved sample complexity with respect to the margin parameter $τ$, but running time doubly exponential in $1/τ^2$ and worse sample complexity dependence on $ε$ than our previous algorithm. We then design an improved algorithm with better sample complexity than both of our previous algorithms and running time exponential in $1/τ^2.$
Tell, Don’t Show: Language Guidance Eases Transfer Across Domains in Images and Videos
Authors: Tarun Kalluri, Bodhisattwa Prasad Majumder, Manmohan Chandraker
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: We introduce LaGTran, a novel framework that utilizes text supervision to guide robust transfer of discriminative knowledge from labeled source to unlabeled target data with domain gaps. While unsupervised adaptation methods have been established to address this problem, they show limitations in handling challenging domain shifts due to their exclusive operation within the pixel-space. Motivated by our observation that semantically richer text modality has more favorable transfer properties, we devise a transfer mechanism to use a source-trained text-classifier to generate predictions on the target text descriptions, and utilize these predictions as supervision for the corresponding images. Our approach driven by language guidance is surprisingly easy and simple, yet significantly outperforms all prior approaches on challenging datasets like GeoNet and DomainNet, validating its extreme effectiveness. To further extend the scope of our study beyond images, we introduce a new benchmark called Ego2Exo to study ego-exo transfer in videos and find that our language-aided approach LaGTran yields significant gains in this highly challenging and non-trivial transfer setting. Code, models, and proposed datasets are publicly available at https://tarun005.github.io/lagtran/.
Position: LLMs Can’t Plan, But Can Help Planning in LLM-Modulo Frameworks
Authors: Subbarao Kambhampati, Karthik Valmeekam, Lin Guan, Mudit Verma, Kaya Stechly, Siddhant Bhambri, Lucas Paul Saldyt, Anil B Murthy
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: We argue that auto-regressive LLMs cannot, by themselves, do planning or self-verification (which is after all a form of reasoning), and shed some light on the reasons for misunderstandings in the literature. We will also argue that LLMs should be viewed as universal approximate knowledge sources that have much more meaningful roles to play in planning/reasoning tasks beyond simple front-end/back-end format translators. We present a vision of LLM-Modulo Frameworks that combine the strengths of LLMs with external model-based verifiers in a tighter bi-directional interaction regime. We will show how the models driving the external verifiers themselves can be acquired with the help of LLMs. We will also argue that rather than simply pipelining LLMs and symbolic components, this LLM-Modulo Framework provides a better neuro-symbolic approach that offers tighter integration between LLMs and symbolic components, and allows extending the scope of model-based planning/reasoning regimes towards more flexible knowledge, problem and preference specifications.
A Geometric Explanation of the Likelihood OOD Detection Paradox
Authors: Hamidreza Kamkari, Brendan Leigh Ross, Jesse C. Cresswell, Anthony L. Caterini, Rahul Krishnan, Gabriel Loaiza-Ganem
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Likelihood-based deep generative models (DGMs) commonly exhibit a puzzling behaviour: when trained on a relatively complex dataset, they assign higher likelihood values to out-of-distribution (OOD) data from simpler sources. Adding to the mystery, OOD samples are never generated by these DGMs despite having higher likelihoods. This two-pronged paradox has yet to be conclusively explained, making likelihood-based OOD detection unreliable. Our primary observation is that high-likelihood regions will not be generated if they contain minimal probability mass. We demonstrate how this seeming contradiction of large densities yet low probability mass can occur around data confined to low-dimensional manifolds. We also show that this scenario can be identified through local intrinsic dimension (LID) estimation, and propose a method for OOD detection which pairs the likelihoods and LID estimates obtained from a <em>pre-trained</em> DGM. Our method can be applied to normalizing flows and score-based diffusion models, and obtains results which match or surpass state-of-the-art OOD detection benchmarks using the same DGM backbones. Our code is available at our GitHub repository.
Learning Decision Trees and Forests with Algorithmic Recourse
Authors: Kentaro Kanamori, Takuya Takagi, Ken Kobayashi, Yuichi Ike
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: This paper proposes a new algorithm for learning accurate tree-based models while ensuring the existence of recourse actions. Algorithmic Recourse (AR) aims to provide a recourse action for altering the undesired prediction result given by a model. Typical AR methods provide a reasonable action by solving an optimization task of minimizing the required effort among executable actions. In practice, however, such actions do not always exist for models optimized only for predictive performance. To alleviate this issue, we formulate the task of learning an accurate classification tree under the constraint of ensuring the existence of reasonable actions for as many instances as possible. Then, we propose an efficient top-down greedy algorithm by leveraging the adversarial training techniques. We also show that our proposed algorithm can be applied to the random forest, which is known as a popular framework for learning tree ensembles. Experimental results demonstrated that our method successfully provided reasonable actions to more instances than the baselines without significantly degrading accuracy and computational efficiency.
C-RAG: Certified Generation Risks for Retrieval-Augmented Language Models
Authors: Mintong Kang, Nezihe Merve Gürel, Ning Yu, Dawn Song, Bo Li
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Despite the impressive capabilities of large language models (LLMs) across diverse applications, they still suffer from trustworthiness issues, such as hallucinations and misalignments. Retrieval-augmented language models (RAG) have been proposed to enhance the credibility of generations by grounding external knowledge, but the theoretical understandings of their generation risks remains unexplored. In this paper, we answer: 1) whether RAG can indeed lead to low generation risks, 2) how to provide provable guarantees on the generation risks of RAG and vanilla LLMs, and 3) what sufficient conditions enable RAG models to reduce generation risks. We propose C-RAG, the first framework to certify generation risks for RAG models. Specifically, we provide conformal risk analysis for RAG models and certify an upper confidence bound of generation risks, which we refer to as conformal generation risk. We also provide theoretical guarantees on conformal generation risks for general bounded risk functions under test distribution shifts. We prove that RAG achieves a lower conformal generation risk than that of a single LLM when the quality of the retrieval model and transformer is non-trivial. Our intensive empirical results demonstrate the soundness and tightness of our conformal generation risk guarantees across four widely-used NLP datasets on four state-of-the-art retrieval models.
Think Before You Act: Decision Transformers with Working Memory
Authors: Jikun Kang, Romain Laroche, Xingdi Yuan, Adam Trischler, Xue Liu, Jie Fu
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Decision Transformer-based decision-making agents have shown the ability to generalize across multiple tasks. However, their performance relies on massive data and computation. We argue that this inefficiency stems from the forgetting phenomenon, in which a model memorizes its behaviors in parameters throughout training. As a result, training on a new task may deteriorate the model’s performance on previous tasks. In contrast to LLMs’ implicit memory mechanism, the human brain utilizes distributed memory storage, which helps manage and organize multiple skills efficiently, mitigating the forgetting phenomenon. Inspired by this, we propose a working memory module to store, blend, and retrieve information for different downstream tasks. Evaluation results show that the proposed method improves training efficiency and generalization in Atari games and Meta-World object manipulation tasks. Moreover, we demonstrate that memory fine-tuning further enhances the adaptability of the proposed architecture.
Certifiably Byzantine-Robust Federated Conformal Prediction
Authors: Mintong Kang, Zhen Lin, Jimeng Sun, Cao Xiao, Bo Li
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Conformal prediction has shown impressive capacity in constructing statistically rigorous prediction sets for machine learning models with exchangeable data samples. The siloed datasets, coupled with the escalating privacy concerns related to local data sharing, have inspired recent innovations extending conformal prediction into federated environments with distributed data samples. However, this framework for distributed uncertainty quantification is susceptible to Byzantine failures. A minor subset of malicious clients can significantly compromise the practicality of coverage guarantees. To address this vulnerability, we introduce a novel framework Rob-FCP, which executes robust federated conformal prediction, effectively countering malicious clients capable of reporting arbitrary statistics with the conformal calibration process. We theoretically provide the conformal coverage bound of Rob-FCP in the Byzantine setting and show that the coverage of Rob-FCP is asymptotically close to the desired coverage level. We also propose a malicious client number estimator to tackle a more challenging setting where the number of malicious clients is unknown to the defender and theoretically shows its effectiveness. We empirically demonstrate the robustness of Rob-FCP against diverse proportions of malicious clients under a variety of Byzantine attacks on five standard benchmark and real-world healthcare datasets.
Neural Tangent Kernels for Axis-Aligned Tree Ensembles
Authors: Ryuichi Kanoh, Mahito Sugiyama
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: While axis-aligned rules are known to induce an important inductive bias in machine learning models such as typical hard decision tree ensembles, theoretical understanding of the learning behavior is largely unrevealed due to the discrete nature of rules. To address this issue, we impose the axis-aligned constraint on soft trees, which relax the splitting process of decision trees and are trained using a gradient method, and present their Neural Tangent Kernel (NTK), which enables us to analytically describe the training behavior. We study two cases: imposing the axis-aligned constraint throughout the entire training process, and only at the initial state. Moreover, we extend the NTK framework to handle various tree architectures simultaneously, and prove that any axis-aligned non-oblivious tree ensemble can be transformed into axis-aligned oblivious tree ensembles with the same NTK. One can search for suitable tree architecture via Multiple Kernel Learning (MKL), and our numerical experiments show a variety of suitable features depending on the type of constraints. Our NTK analysis highlights both the theoretical and practical impacts of the axis-aligned constraint in tree ensemble learning.
Position: On the Societal Impact of Open Foundation Models
Authors: Sayash Kapoor, Rishi Bommasani, Kevin Klyman, Shayne Longpre, Ashwin Ramaswami, Peter Cihon, Aspen K Hopkins, Kevin Bankston, Stella Biderman, Miranda Bogen, Rumman Chowdhury, Alex Engler, Peter Henderson, Yacine Jernite, Seth Lazar, Stefano Maffulli, Alondra Nelson, Joelle Pineau, Aviya Skowron, Dawn Song, Victor Storchan, Daniel Zhang, Daniel E. Ho, Percy Liang, Arvind Narayanan
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Foundation models are powerful technologies: how they are released publicly directly shapes their societal impact. In this position paper, we focus on <em>open</em> foundation models, defined here as those with broadly available model weights (e.g., Llama 3, Stable Diffusion XL). We identify five distinctive properties (e.g., greater customizability, poor monitoring) that mediate their benefits and risks. Open foundation models present significant benefits, with some caveats, that span innovation, competition, the distribution of decision-making power, and transparency. To understand their risks of misuse, we design a risk assessment framework for analyzing their <em>marginal risk</em>. Across several misuse vectors (e.g., cyberattacks, bioweapons), we find that current research is insufficient to effectively characterize the marginal risk of open foundation models relative to pre-existing technologies. The framework helps explain why the marginal risk is low in some cases, clarifies disagreements about misuse risks by revealing that past work has focused on different subsets of the framework with different assumptions, and articulates a way forward for more constructive debate. Overall, our work helps support a more grounded assessment of the societal impact of open foundation models by outlining what research is needed to empirically validate their theoretical benefits and risks.
Adaptive Robust Learning using Latent Bernoulli Variables
Authors: Aleksandr Karakulev, Dave Zachariah, Prashant Singh
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: We present an adaptive approach for robust learning from corrupted training sets. We identify corrupted and non-corrupted samples with latent Bernoulli variables and thus formulate the learning problem as maximization of the likelihood where latent variables are marginalized. The resulting problem is solved via variational inference, using an efficient Expectation-Maximization based method. The proposed approach improves over the state-of-the-art by automatically inferring the corruption level, while adding minimal computational overhead. We demonstrate our robust learning method and its parameter-free nature on a wide variety of machine learning tasks including online learning and deep learning where it adapts to different levels of noise and maintains high prediction accuracy.
Prismatic VLMs: Investigating the Design Space of Visually-Conditioned Language Models
Authors: Siddharth Karamcheti, Suraj Nair, Ashwin Balakrishna, Percy Liang, Thomas Kollar, Dorsa Sadigh
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Visually-conditioned language models (VLMs) have seen growing adoption in applications such as visual dialogue, scene understanding, and robotic task planning; adoption that has fueled a wealth of new models such as LLaVa, InstructBLIP, and PaLI-3. Despite the volume of new releases, key design decisions around image preprocessing, architecture, and optimization are under-explored, making it challenging to understand what factors account for model performance – a challenge further complicated by the lack of objective, consistent evaluations. To address these gaps, we first compile a suite of standardized evaluations spanning visual question answering, object localization, and challenge sets that probe properties such as hallucination; evaluations that provide fine-grained insight VLM capabilities. Second, we rigorously investigate VLMs along key design axes, including pretrained visual representations and training from base vs. instruct-tuned language models, amongst others. We couple our analysis with three resource contributions: (1) a unified framework for evaluating VLMs, (2) optimized, flexible training code, and (3) checkpoints for all models, including a family of VLMs at the 7-13B scale that strictly outperform InstructBLIP and LLaVa v1.5, the state-of-the-art in open VLMs.
On Stronger Computational Separations Between Multimodal and Unimodal Machine Learning
Authors: Ari Karchmer
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Recently, multimodal machine learning has enjoyed huge empirical success (e.g. GPT-4). Motivated to develop theoretical justification for this empirical success, Lu (NeurIPS ’23, ALT ’24) introduces a theory of multimodal learning, and considers possible <em>separations</em> between theoretical models of multimodal and unimodal learning. In particular, Lu (ALT ’24) shows a computational separation, which is relevant to <em>worst-case</em> instances of the learning task. In this paper, we give a stronger <em>average-case</em> computational separation, where for "typical" instances of the learning task, unimodal learning is computationally hard, but multimodal learning is easy. We then question how "natural" the average-case separation is. Would it be encountered in practice? To this end, we prove that under basic conditions, any given computational separation between average-case unimodal and multimodal learning tasks implies a corresponding cryptographic key agreement protocol. We suggest to interpret this as evidence that very strong <em>computational</em> advantages of multimodal learning may arise <em>infrequently</em> in practice, since they exist only for the "pathological" case of inherently cryptographic distributions. However, this does not apply to possible (super-polynomial) <em>statistical</em> advantages.
On the Generalization of Equivariant Graph Neural Networks
Authors: Rafal Karczewski, Amauri H Souza, Vikas Garg
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: $E(n)$-Equivariant Graph Neural Networks (EGNNs) are among the most widely used and successful models for representation learning on geometric graphs (e.g., 3D molecules). However, while the expressivity of EGNNs has been explored in terms of geometric variants of the Weisfeiler-Leman isomorphism test, characterizing their generalization capability remains open. In this work, we establish the first generalization bound for EGNNs. Our bound depicts a dependence on the weighted sum of logarithms of the spectral norms of the weight matrices (EGNN parameters). In addition, our main result reveals interesting novel insights: $i$) the spectral norms of the initial layers may impact generalization more than the final ones; $ii$) $ɛ$-normalization is beneficial to generalization — confirming prior empirical evidence. We leverage these insights to introduce a spectral norm regularizer tailored to EGNNs. Experiments on real-world datasets substantiate our analysis, demonstrating a high correlation between theoretical and empirical generalization gaps and the effectiveness of the proposed regularization scheme.
Infinite-Horizon Distributionally Robust Regret-Optimal Control
Authors: Taylan Kargin, Joudi Hajar, Vikrant Malik, Babak Hassibi
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: We study the infinite-horizon distributionally robust (DR) control of linear systems with quadratic costs, where disturbances have unknown, possibly time-correlated distribution within a Wasserstein-2 ambiguity set. We aim to minimize the worst-case expected regret—the excess cost of a causal policy compared to a non-causal one with access to future disturbance. Though the optimal policy lacks a finite-order state-space realization (i.e., it is non-rational), it can be characterized by a finite-dimensional parameter. Leveraging this, we develop an efficient frequency-domain algorithm to compute this optimal control policy and present a convex optimization method to construct a near-optimal state-space controller that approximates the optimal non-rational controller in the $\mathitH_ınfty$-norm. This approach avoids solving a computationally expensive semi-definite program (SDP) that scales with the time horizon in the finite-horizon setting.
Challenges and Considerations in the Evaluation of Bayesian Causal Discovery
Authors: Amir Mohammad Karimi Mamaghan, Panagiotis Tigas, Karl Henrik Johansson, Yarin Gal, Yashas Annadani, Stefan Bauer
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Representing uncertainty in causal discovery is a crucial component for experimental design, and more broadly, for safe and reliable causal decision making. Bayesian Causal Discovery (BCD) offers a principled approach to encapsulating this uncertainty. Unlike non-Bayesian causal discovery, which relies on a single estimated causal graph and model parameters for assessment, evaluating BCD presents challenges due to the nature of its inferred quantity – the posterior distribution. As a result, the research community has proposed various metrics to assess the quality of the approximate posterior. However, there is, to date, no consensus on the most suitable metric(s) for evaluation. In this work, we reexamine this question by dissecting various metrics and understanding their limitations. Through extensive empirical evaluation, we find that many existing metrics fail to exhibit a strong correlation with the quality of approximation to the true posterior, especially in scenarios with low sample sizes where BCD is most desirable. We highlight the suitability (or lack thereof) of these metrics under two distinct factors: the identifiability of the underlying causal model and the quantity of available data. Both factors affect the entropy of the true posterior, indicating that the current metrics are less fitting in settings of higher entropy. Our findings underline the importance of a more nuanced evaluation of new methods by taking into account the nature of the true posterior, as well as guide and motivate the development of new evaluation procedures for this challenge.
Progressive Inference: Explaining Decoder-Only Sequence Classification Models Using Intermediate Predictions
Authors: Sanjay Kariyappa, Freddy Lecue, Saumitra Mishra, Christopher Pond, Daniele Magazzeni, Manuela Veloso
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: This paper proposes Progressive inference–a framework to explain the predictions of decoder-only transformer models trained to perform sequence classification tasks. Our work is based on the insight that the classification head of a decoder-only model can be used to make intermediate predictions by evaluating them at different points in the input sequence. Due to the masked attention mechanism used in decoder-only models, these intermediate predictions only depend on the tokens seen before the inference point, allowing us to obtain the model’s prediction on a masked input sub-sequence, with negligible computational overheads. We develop two methods to provide sub-sequence level attributions using this core insight. First, we propose Single Pass-Progressive Inference (SP-PI) to compute attributions by simply taking the difference between intermediate predictions. Second, we exploit a connection with Kernel SHAP to develop Multi Pass-Progressive Inference (MP-PI); this uses intermediate predictions from multiple masked versions of the input to compute higher-quality attributions that approximate SHAP values. We perform studies on several text classification datasets to demonstrate that our proposal provides better explanations compared to prior work, both in the single-pass and multi-pass settings.
Position: Embracing Negative Results in Machine Learning
Authors: Florian Karl, Malte Kemeter, Gabriel Dax, Paulina Sierak
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Publications proposing novel machine learning methods are often primarily rated by exhibited predictive performance on selected problems. In this position paper we argue that predictive performance alone is not a good indicator for the worth of a publication. Using it as such even fosters problems like inefficiencies of the machine learning research community as a whole and setting wrong incentives for researchers. We therefore put out a call for the publication of “negative” results, which can help alleviate some of these problems and improve the scientific output of the machine learning research community. To substantiate our position, we present the advantages of publishing negative results and provide concrete measures for the community to move towards a paradigm where their publication is normalized.
Hidden Traveling Waves bind Working Memory Variables in Recurrent Neural Networks
Authors: Arjun Karuvally, Terrence Sejnowski, Hava T Siegelmann
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Traveling waves are a fundamental phenomenon in the brain, playing a crucial role in short-term information storage. In this study, we leverage the concept of traveling wave dynamics within a neural lattice to formulate a theoretical model of neural working memory in Recurrent Neural Networks (RNNs), study its properties, and its real world implications in AI. The proposed model diverges from traditional approaches, which assume information storage in static, register-like locations updated by interference. Instead, the model stores data as waves that is updated by the wave’s boundary conditions. We rigorously examine the model’s capabilities in representing and learning state histories, which are vital for learning history-dependent dynamical systems. The findings reveal that the model reliably stores external information and enhances the learning process by addressing the diminishing gradient problem of RNNs. To understand the model’s real-world applicability, we explore two cases: linear boundary condition and non-linear, self-attention-driven boundary condition. The experiments reveal that the linear scenario is effectively <em>learned</em> by RNNs through backpropagation when modeling history-dependent dynamical systems. Conversely, the non-linear scenario parallels an attention-only transformer. Collectively, our findings suggest the broader relevance of traveling waves in AI and its potential in advancing neural network architectures.
Active Adaptive Experimental Design for Treatment Effect Estimation with Covariate Choice
Authors: Masahiro Kato, Akihiro Oga, Wataru Komatsubara, Ryo Inokuchi
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: This study designs an adaptive experiment for efficiently estimating <em>average treatment effects</em> (ATEs). In each round of our adaptive experiment, an experimenter sequentially samples an experimental unit, assigns a treatment, and observes the corresponding outcome immediately. At the end of the experiment, the experimenter estimates an ATE using the gathered samples. The objective is to estimate the ATE with a smaller asymptotic variance. Existing studies have designed experiments that adaptively optimize the propensity score (treatment-assignment probability). As a generalization of such an approach, we propose optimizing the covariate density as well as the propensity score. First, we derive the efficient covariate density and propensity score that minimize the semiparametric efficiency bound and find that optimizing both covariate density and propensity score minimizes the semiparametric efficiency bound more effectively than optimizing only the propensity score. Next, we design an adaptive experiment using the efficient covariate density and propensity score sequentially estimated during the experiment. Lastly, we propose an ATE estimator whose asymptotic variance aligns with the minimized semiparametric efficiency bound.
First-Order Manifold Data Augmentation for Regression Learning
Authors: Ilya Kaufman, Omri Azencot
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Data augmentation (DA) methods tailored to specific domains generate synthetic samples by applying transformations that are appropriate for the characteristics of the underlying data domain, such as rotations on images and time warping on time series data. In contrast, <em>domain-independent</em> approaches, e.g. <em>mixup</em>, are applicable to various data modalities, and as such they are general and versatile. While regularizing classification tasks via DA is a well-explored research topic, the effect of DA on regression problems received less attention. To bridge this gap, we study the problem of domain-independent augmentation for regression, and we introduce <em>FOMA</em>: a new data-driven domain-independent data augmentation method. Essentially, our approach samples new examples from the tangent planes of the train distribution. Augmenting data in this way aligns with the network tendency towards capturing the dominant features of its input signals. We evaluate <em>FOMA</em> on in-distribution generalization and out-of-distribution robustness benchmarks, and we show that it improves the generalization of several neural architectures. We also find that strong baselines based on <em>mixup</em> are less effective in comparison to our approach. Our code is publicly available at https://github.com/azencot-group/FOMA