mtybilly/Instruct2DS huggingface dataset:
Position: Key Claims in LLM Research Have a Long Tail of Footnotes
Authors: Anna Rogers, Sasha Luccioni
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

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.
LEVI: Generalizable Fine-tuning via Layer-wise Ensemble of Different Views
Authors: Yuji Roh, Qingyun Liu, Huan Gui, Zhe Yuan, Yujin Tang, Steven Euijong Whang, Liang Liu, Shuchao Bi, Lichan Hong, Ed H. Chi, Zhe Zhao
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Fine-tuning is becoming widely used for leveraging the power of pre-trained foundation models in new downstream tasks. While there are many successes of fine-tuning on various tasks, recent studies have observed challenges in the generalization of fine-tuned models to unseen distributions (i.e., out-of-distribution; OOD). To improve OOD generalization, some previous studies identify the limitations of fine-tuning data and regulate fine-tuning to preserve the general representation learned from pre-training data. However, potential limitations in the pre-training data and models are often ignored. In this paper, we contend that overly relying on the pre-trained representation may hinder fine-tuning from learning essential representations for downstream tasks and thus hurt its OOD generalization. It can be especially catastrophic when new tasks are from different (sub)domains compared to pre-training data. To address the issues in both pre-training and fine-tuning data, we propose a novel generalizable fine-tuning method LEVI (<b>L</b>ayer-wise <b>E</b>nsemble of different <b>VI</b>ews), where the pre-trained model is adaptively ensembled layer-wise with a small task-specific model, while preserving its efficiencies. By combining two complementing models, LEVI effectively suppresses problematic features in both the fine-tuning data and pre-trained model and preserves useful features for new tasks. Broad experiments with large language and vision models show that LEVI greatly improves fine-tuning generalization via emphasizing different views from fine-tuning data and pre-trained features.
Position: Mission Critical – Satellite Data is a Distinct Modality in Machine Learning
Authors: Esther Rolf, Konstantin Klemmer, Caleb Robinson, Hannah Kerner
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Satellite data has the potential to inspire a seismic shift for machine learning—one in which we rethink existing practices designed for traditional data modalities. As machine learning for satellite data (SatML) gains traction for its real-world impact, our field is at a crossroads. We can either continue applying ill-suited approaches, or we can initiate a new research agenda that centers around the unique characteristics and challenges of satellite data. This position paper argues that satellite data constitutes a distinct modality for machine learning research and that we must recognize it as such to advance the quality and impact of SatML research across theory, methods, and deployment. We outline research directions, critical discussion questions and actionable suggestions to transform SatML from merely an intriguing application area to a dedicated research discipline that helps move the needle on big challenges for machine learning and society.
Position: Application-Driven Innovation in Machine Learning
Authors: David Rolnick, Alan Aspuru-Guzik, Sara Beery, Bistra Dilkina, Priya L. Donti, Marzyeh Ghassemi, Hannah Kerner, Claire Monteleoni, Esther Rolf, Milind Tambe, Adam White
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: In this position paper, we argue that application-driven research has been systemically under-valued in the machine learning community. As applications of machine learning proliferate, innovative algorithms inspired by specific real-world challenges have become increasingly important. Such work offers the potential for significant impact not merely in domains of application but also in machine learning itself. In this paper, we describe the paradigm of application-driven research in machine learning, contrasting it with the more standard paradigm of methods-driven research. We illustrate the benefits of application-driven machine learning and how this approach can productively synergize with methods-driven work. Despite these benefits, we find that reviewing, hiring, and teaching practices in machine learning often hold back application-driven innovation. We outline how these processes may be improved.
One-Shot Strategic Classification Under Unknown Costs
Authors: Elan Rosenfeld, Nir Rosenfeld
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: The goal of strategic classification is to learn decision rules which are robust to strategic input manipulation. Earlier works assume that these responses are known; while some recent works handle unknown responses, they exclusively study online settings with repeated model deployments. But there are many domains – particularly in public policy, a common motivating use case – where multiple deployments are infeasible, or where even one bad round is unacceptable. To address this gap, we initiate the formal study of <em>one-shot</em> strategic classification under unknown responses, which requires committing to a single classifier once. Focusing on uncertainty in the users’ cost function, we begin by proving that for a broad class of costs, even a small mis-estimation of the true cost can entail trivial accuracy in the worst case. In light of this, we frame the task as a minimax problem, aiming to minimize worst-case risk over an uncertainty set of costs. We design efficient algorithms for both the full-batch and stochastic settings, which we prove converge (offline) to the minimax solution at the rate of $\tilde\mathcalO(T^-\frac12)$. Our analysis reveals important structure stemming from strategic responses, particularly the value of <em>dual norm regularization</em> with respect to the cost function.
Modelling Microbial Communities with Graph Neural Networks
Authors: Albane Ruaud, Cansu Sancaktar, Marco Bagatella, Christoph Ratzke, Georg Martius
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Understanding the interactions and interplay of microorganisms is a great challenge with many applications in medical and environmental settings. In this work, we model bacterial communities directly from their genomes using graph neural networks (GNNs). GNNs leverage the inductive bias induced by the set nature of bacteria, enforcing permutation invariance and granting combinatorial generalization. We propose to learn the dynamics implicitly by directly predicting community relative abundance profiles at steady state, thus escaping the need for growth curves. On two real-world datasets, we show for the first time generalization to unseen bacteria and different community structures. To investigate the prediction results more deeply, we create a simulation for flexible data generation and analyze effects of bacteria interaction strength, community size, and training data amount.
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
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

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.
Position: Amazing Things Come From Having Many Good Models
Authors: Cynthia Rudin, Chudi Zhong, Lesia Semenova, Margo Seltzer, Ronald Parr, Jiachang Liu, Srikar Katta, Jon Donnelly, Harry Chen, Zachery Boner
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: The <em>Rashomon Effect</em>, coined by Leo Breiman, describes the phenomenon that there exist many equally good predictive models for the same dataset. This phenomenon happens for many real datasets and when it does, it sparks both magic and consternation, but mostly magic. In light of the Rashomon Effect, this perspective piece proposes reshaping the way we think about machine learning, particularly for tabular data problems in the nondeterministic (noisy) setting. We address how the Rashomon Effect impacts (1) the existence of simple-yet-accurate models, (2) flexibility to address user preferences, such as fairness and monotonicity, without losing performance, (3) uncertainty in predictions, fairness, and explanations, (4) reliable variable importance, (5) algorithm choice, specifically, providing advanced knowledge of which algorithms might be suitable for a given problem, and (6) public policy. We also discuss a theory of when the Rashomon Effect occurs and why. Our goal is to illustrate how the Rashomon Effect can have a massive impact on the use of machine learning for complex problems in society.
Generalizing Orthogonalization for Models with Non-Linearities
Authors: David Rügamer, Chris Kolb, Tobias Weber, Lucas Kook, Thomas Nagler
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: The complexity of black-box algorithms can lead to various challenges, including the introduction of biases. These biases present immediate risks in the algorithms’ application. It was, for instance, shown that neural networks can deduce racial information solely from a patient’s X-ray scan, a task beyond the capability of medical experts. If this fact is not known to the medical expert, automatic decision-making based on this algorithm could lead to prescribing a treatment (purely) based on racial information. While current methodologies allow for the "orthogonalization" or "normalization" of neural networks with respect to such information, existing approaches are grounded in linear models. Our paper advances the discourse by introducing corrections for non-linearities such as ReLU activations. Our approach also encompasses scalar and tensor-valued predictions, facilitating its integration into neural network architectures. Through extensive experiments, we validate our method’s effectiveness in safeguarding sensitive data in generalized linear models, normalizing convolutional neural networks for metadata, and rectifying pre-existing embeddings for undesired attributes.
Rolling Diffusion Models
Authors: David Ruhe, Jonathan Heek, Tim Salimans, Emiel Hoogeboom
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Diffusion models have recently been increasingly applied to temporal data such as video, fluid mechanics simulations, or climate data. These methods generally treat subsequent frames equally regarding the amount of noise in the diffusion process. This paper explores Rolling Diffusion: a new approach that uses a sliding window denoising process. It ensures that the diffusion process progressively corrupts through time by assigning more noise to frames that appear later in a sequence, reflecting greater uncertainty about the future as the generation process unfolds. Empirically, we show that when the temporal dynamics are complex, Rolling Diffusion is superior to standard diffusion. In particular, this result is demonstrated in a video prediction task using the Kinetics-600 video dataset and in a chaotic fluid dynamics forecasting experiment.
Explorations of Self-Repair in Language Models
Authors: Cody Rushing, Neel Nanda
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Prior interpretability research studying narrow distributions has preliminarily identified self-repair, a phenomena where if components in large language models are ablated, later components will change their behavior to compensate. Our work builds off this past literature, demonstrating that self-repair exists on a variety of models families and sizes when ablating individual attention heads on the full training distribution. We further show that on the full training distribution self-repair is imperfect, as the original direct effect of the head is not fully restored, and noisy, since the degree of self-repair varies significantly across different prompts (sometimes overcorrecting beyond the original effect). We highlight two different mechanisms that contribute to self-repair, including changes in the final LayerNorm scaling factor and sparse sets of neurons implementing Anti-Erasure. We additionally discuss the implications of these results for interpretability practitioners and close with a more speculative discussion on the mystery of why self-repair occurs in these models at all, highlighting evidence for the Iterative Inference hypothesis in language models, a framework that predicts self-repair.
Gambling-Based Confidence Sequences for Bounded Random Vectors
Authors: Jongha Jon Ryu, Gregory W. Wornell
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: A confidence sequence (CS) is a sequence of confidence sets that contains a target parameter of an underlying stochastic process at any time step with high probability. This paper proposes a new approach to constructing CSs for means of bounded multivariate stochastic processes using a general gambling framework, extending the recently established coin toss framework for bounded random processes. The proposed gambling framework provides a general recipe for constructing CSs for categorical and probability-vector-valued observations, as well as for general bounded multidimensional observations through a simple reduction. This paper specifically explores the use of the mixture portfolio, akin to Cover’s universal portfolio, in the proposed framework and investigates the properties of the resulting CSs. Simulations demonstrate the tightness of these confidence sequences compared to existing methods. When applied to the sampling without-replacement setting for finite categorical data, it is shown that the resulting CS based on a universal gambling strategy is provably tighter than that of the posterior-prior ratio martingale proposed by Waudby-Smith and Ramdas.
Operator SVD with Neural Networks via Nested Low-Rank Approximation
Authors: Jongha Jon Ryu, Xiangxiang Xu, Hasan Sabri Melihcan Erol, Yuheng Bu, Lizhong Zheng, Gregory W. Wornell
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Computing eigenvalue decomposition (EVD) of a given linear operator, or finding its leading eigenvalues and eigenfunctions, is a fundamental task in many machine learning and scientific simulation problems. For high-dimensional eigenvalue problems, training neural networks to parameterize the eigenfunctions is considered as a promising alternative to the classical numerical linear algebra techniques. This paper proposes a new optimization framework based on the low-rank approximation characterization of a truncated singular value decomposition, accompanied by new techniques called <em>nesting</em> for learning the top-$L$ singular values and singular functions in the correct order. The proposed method promotes the desired orthogonality in the learned functions implicitly and efficiently via an unconstrained optimization formulation, which is easy to solve with off-the-shelf gradient-based optimization algorithms. We demonstrate the effectiveness of the proposed optimization framework for use cases in computational physics and machine learning.
Tandem Transformers for Inference Efficient LLMs
Authors: Aishwarya P S, Pranav Ajit Nair, Yashas Samaga B L, Toby James Boyd, Sanjiv Kumar, Prateek Jain, Praneeth Netrapalli
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: The autoregressive nature of conventional large language models (LLMs) inherently limits inference speed, as tokens are generated sequentially. While speculative (Leviathan et al., 2023) and parallel (Stern et al., 2018) decoding techniques attempt to mitigate this, they face limitations: either relying on less accurate smaller models for generation or failing to fully leverage the base LLM’s representations. We introduce a novel architecture, Tandem transformers, to address these issues. This architecture uniquely combines (1) a small autoregressive model and (2) a large model operating in block mode (processing multiple tokens simultaneously). The small model’s predictive accuracy is substantially enhanced by granting it attention to the large model’s richer representations. On the PaLM2 pretraining dataset, a tandem of PaLM2-Bison and PaLM2-Gecko demonstrates a 3.3% improvement in next-token prediction accuracy over a standalone PaLM2-Gecko, offering a 1.16x speedup compared to a PaLM2-Otter model with comparable downstream performance. We further incorporate the Tandem model within the speculative decoding (SPEED) framework where the large model validates tokens from the small model. This ensures that the tandem of PaLM2-Bison and PaLM2-Gecko achieves substantial speedup (around 1.14x faster than using vanilla PaLM2-Gecko in SPEED) while maintaining identical downstream task accuracy.
Benchmarking and Building Long-Context Retrieval Models with LoCo and M2-BERT
Authors: Jon Saad-Falcon, Daniel Y Fu, Simran Arora, Neel Guha, Christopher Re
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Retrieval pipelines are an integral component of many machine learning systems. However, they perform poorly in domains where documents are long (e.g., 10K tokens or more) and where identifying the relevant document requires synthesizing information across the entire text. Developing long-context retrieval encoders suitable for these domains raises three challenges: (1) how to evaluate long-context retrieval performance, (2) how to pretrain a base language model to represent both short contexts (corresponding to queries) and long contexts (corresponding to documents), and (3) how to finetune this model for retrieval under the batch size limitations imposed by GPU memory constraints. To address these challenges, we first introduce LoCoV1, a 12 task benchmark constructed to measure long-context retrieval where chunking is not possible or not effective. We next present the M2-BERT retrieval encoder, an 80M parameter state-space encoder model built from the Monarch Mixer architecture, capable of scaling to documents up to 32K tokens long. We describe a pretraining data mixture which allows this encoder to process both short and long context sequences, and a finetuning approach that adapts this base model to retrieval with only single-sample batches. Finally, we validate the M2-BERT retrieval encoder on LoCoV1, finding that it outperforms competitive Transformer-based models by at least 22.2 points, despite containing 90× fewer parameters.
Align Your Steps: Optimizing Sampling Schedules in Diffusion Models
Authors: Amirmojtaba Sabour, Sanja Fidler, Karsten Kreis
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Diffusion models (DMs) have established themselves as the state-of-the-art generative modeling approach in the visual domain and beyond. A crucial drawback of DMs is their slow sampling speed, relying on many sequential function evaluations through large neural networks. Sampling from DMs can be seen as solving a differential equation through a discretized set of noise levels known as the sampling schedule. While past works primarily focused on deriving efficient solvers, little attention has been given to finding optimal sampling schedules, and the entire literature relies on hand-crafted heuristics. In this work, for the first time, we propose a general and principled approach to optimizing the sampling schedules of DMs for high-quality outputs, called Align Your Steps. We leverage methods from stochastic calculus and find optimal schedules specific to different solvers, trained DMs and datasets. We evaluate our novel approach on several image, video as well as 2D toy data synthesis benchmarks, using a variety of different samplers, and observe that our optimized schedules outperform previous hand-crafted schedules in almost all experiments. Our method demonstrates the untapped potential of sampling schedule optimization, especially in the few-step synthesis regime.
Fast Adversarial Attacks on Language Models In One GPU Minute
Authors: Vinu Sankar Sadasivan, Shoumik Saha, Gaurang Sriramanan, Priyatham Kattakinda, Atoosa Chegini, Soheil Feizi
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: In this paper, we introduce a novel class of fast, beam search-based adversarial attack (BEAST) for Language Models (LMs). BEAST employs interpretable parameters, enabling attackers to balance between attack speed, success rate, and the readability of adversarial prompts. The computational efficiency of BEAST facilitates us to investigate its applications on LMs for jailbreaking, eliciting hallucinations, and privacy attacks. Our gradient-free targeted attack can jailbreak aligned LMs with high attack success rates within one minute. For instance, BEAST can jailbreak Vicuna-7B-v1.5 under one minute with a success rate of 89% when compared to a gradient-based baseline that takes over an hour to achieve 70% success rate using a single Nvidia RTX A6000 48GB GPU. BEAST can also generate adversarial suffixes for successful jailbreaks that can transfer to unseen prompts and unseen models such as GPT-4-Turbo. Additionally, we discover a unique outcome wherein our untargeted attack induces hallucinations in LM chatbots. Through human evaluations, we find that our untargeted attack causes Vicuna-7B-v1.5 to produce $∼$15% more incorrect outputs when compared to LM outputs in the absence of our attack. We also learn that 22% of the time, BEAST causes Vicuna to generate outputs that are not relevant to the original prompt. Further, we use BEAST to generate adversarial prompts in a few seconds that can boost the performance of existing membership inference attacks for LMs. We believe that our fast attack, BEAST, has the potential to accelerate research in LM security and privacy.
Failures Are Fated, But Can Be Faded: Characterizing and Mitigating Unwanted Behaviors in Large-Scale Vision and Language Models
Authors: Som Sagar, Aditya Taparia, Ransalu Senanayake
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: In large deep neural networks that seem to perform surprisingly well on many tasks, we also observe a few failures related to accuracy, social biases, and alignment with human values, among others. Therefore, before deploying these models, it is crucial to characterize this failure landscape for engineers to debug and legislative bodies to audit models. Nevertheless, it is infeasible to exhaustively test for all possible combinations of factors that could lead to a model’s failure. In this paper, we introduce a post-hoc method that utilizes <em>deep reinforcement learning</em> to explore and construct the landscape of failure modes in pre-trained discriminative and generative models. With the aid of limited human feedback, we then demonstrate how to restructure the failure landscape to be more desirable by moving away from the discovered failure modes. We empirically show the effectiveness of the proposed method across common Computer Vision, Natural Language Processing, and Vision-Language tasks.
I/O Complexity of Attention, or How Optimal is FlashAttention?
Authors: Barna Saha, Christopher Ye
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Attention is at the heart of the popular Transformer architecture, yet suffers from quadratic time and memory complexity. In a recent significant development, FlashAttention shows that the I/O complexity of attention is the true bottleneck in scaling Transformers. Given two levels of memory hierarchy, a fast cache (e.g. GPU on-chip SRAM) where computation happens and a slow memory (e.g. GPU high-bandwidth memory) where the data resides, the I/O complexity measures the number of accesses to the slow memory. FlashAttention is an I/O-aware algorithm for self-attention that requires $\fracN^2d^2M$ I/O operations where $N$ is the dimension of the attention matrix, $d$ is the head-dimension and $M$ is the size of cache. Naturally, to further reduce the computational costs of Attention, the authors ask the question: is FlashAttention’s I/O complexity optimal for every value of $M$? We resolve the above question in its full generality by showing an I/O complexity lower bound that matches the upper bound provided by FlashAttention for any values of $M ≥ d^2$ within any constant factors. Moreover, our lower bounds do not rely on using combinatorial matrix multiplication for computing the attention matrix: even if one uses fast matrix multiplication, the above I/O complexity bounds cannot be improved. Further, we give a better algorithm with lower I/O complexity for $M < d^2$, and show that it is optimal for combinatorial algorithms. We do so by introducing a new communication complexity protocol for matrix compression, and connecting communication complexity to I/O complexity. We believe this connection could be of independent interest and will find more applications in proving I/O complexity lower bounds in future.
An Online Optimization Perspective on First-Order and Zero-Order Decentralized Nonsmooth Nonconvex Stochastic Optimization
Authors: Emre Sahinoglu, Shahin Shahrampour
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: We investigate the finite-time analysis of finding ($δ, ε$)-stationary points for nonsmooth nonconvex objectives in decentralized stochastic optimization. A set of agents aim at minimizing a global function using only their local information by interacting over a network. We present a novel algorithm, called Multi Epoch Decentralized Online Learning (ME-DOL), for which we establish the sample complexity in various settings. First, using a recently proposed online-to-nonconvex technique, we show that our algorithm recovers the optimal convergence rate of smooth nonconvex objectives. We then extend our analysis to the nonsmooth setting, building on properties of randomized smoothing and Goldstein-subdifferential sets. We establish the sample complexity of $O(δ^-1ε^-3)$, which to the best of our knowledge is the first finite-time guarantee for decentralized nonsmooth nonconvex stochastic optimization in the first-order setting (without weak-convexity), matching its optimal centralized counterpart. We further prove the same rate for the zero-order oracle setting without using variance reduction.
Second-Order Uncertainty Quantification: A Distance-Based Approach
Authors: Yusuf Sale, Viktor Bengs, Michele Caprio, Eyke Hüllermeier
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: In the past couple of years, various approaches to representing and quantifying different types of predictive uncertainty in machine learning, notably in the setting of classification, have been proposed on the basis of second-order probability distributions, i.e., predictions in the form of distributions on probability distributions. A completely conclusive solution has not yet been found, however, as shown by recent criticisms of commonly used uncertainty measures associated with second-order distributions, identifying undesirable theoretical properties of these measures. In light of these criticisms, we propose a set of formal criteria that meaningful uncertainty measures for predictive uncertainty based on second-order distributions should obey. Moreover, we provide a general framework for developing uncertainty measures to account for these criteria, and offer an instantiation based on the Wasserstein distance, for which we prove that all criteria are satisfied.
Learning from Integral Losses in Physics Informed Neural Networks
Authors: Ehsan Saleh, Saba Ghaffari, Tim Bretl, Luke Olson, Matthew West
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: This work proposes a solution for the problem of training physics-informed networks under partial integro-differential equations. These equations require an infinite or a large number of neural evaluations to construct a single residual for training. As a result, accurate evaluation may be impractical, and we show that naive approximations at replacing these integrals with unbiased estimates lead to biased loss functions and solutions. To overcome this bias, we investigate three types of potential solutions: the deterministic sampling approaches, the double-sampling trick, and the delayed target method. We consider three classes of PDEs for benchmarking; one defining Poisson problems with singular charges and weak solutions of up to 10 dimensions, another involving weak solutions on electro-magnetic fields and a Maxwell equation, and a third one defining a Smoluchowski coagulation problem. Our numerical results confirm the existence of the aforementioned bias in practice and also show that our proposed delayed target approach can lead to accurate solutions with comparable quality to ones estimated with a large sample size integral. Our implementation is open-source and available at https://github.com/ehsansaleh/btspinn.
Random Exploration in Bayesian Optimization: Order-Optimal Regret and Computational Efficiency
Authors: Sudeep Salgia, Sattar Vakili, Qing Zhao
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: We consider Bayesian optimization using Gaussian Process models, also referred to as kernel-based bandit optimization. We study the methodology of exploring the domain using random samples drawn from a distribution. We show that this random exploration approach achieves the optimal error rates. Our analysis is based on novel concentration bounds in an infinite dimensional Hilbert space established in this work, which may be of independent interest. We further develop an algorithm based on random exploration with domain shrinking and establish its order-optimal regret guarantees under both noise-free and noisy settings. In the noise-free setting, our analysis closes the existing gap in regret performance under a mild assumption on the underlying function and thereby <em>partially resolves a COLT open problem</em>. The proposed algorithm also enjoys a computational advantage over prevailing methods due to the random exploration that obviates the expensive optimization of a non-convex acquisition function for choosing the query points at each iteration.
Predictive Coding beyond Correlations
Authors: Tommaso Salvatori, Luca Pinchetti, Amine M'Charrak, Beren Millidge, Thomas Lukasiewicz
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Biologically plausible learning algorithms offer a promising alternative to traditional deep learning techniques, especially in overcoming the limitations of backpropagation in fast and low-energy neuromorphic implementations. To this end, there has been extensive research in understanding what their capabilities are. In this work, we show how one of such algorithms, called predictive coding, is able to perform causal inference tasks. First, we show how a simple change in the inference process of predictive coding enables to compute interventions without the need to mutilate or redefine a causal graph. Then, we explore applications in cases where the graph is unknown, and has to be inferred from observational data. Empirically, we show how such findings can be used to improve the performance of predictive coding in image classification tasks, and conclude that such models are naturally able to perform causal inference tasks using a biologically plausible kind of message passing.
Proactive Detection of Voice Cloning with Localized Watermarking
Authors: Robin San Roman, Pierre Fernandez, Hady Elsahar, Alexandre Défossez, Teddy Furon, Tuan Tran
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: In the rapidly evolving field of speech generative models, there is a pressing need to ensure audio authenticity against the risks of voice cloning. We present AudioSeal, the first audio watermarking technique designed specifically for localized detection of AI-generated speech. AudioSeal employs a generator / detector architecture trained jointly with a localization loss to enable localized watermark detection up to the sample level, and a novel perceptual loss inspired by auditory masking, that enables AudioSeal to achieve better imperceptibility. AudioSeal achieves state-of-the-art performance in terms of robustness to real life audio manipulations and imperceptibility based on automatic and human evaluation metrics. Additionally, AudioSeal is designed with a fast, single-pass detector, that significantly surpasses existing models in speed, achieving detection up to two orders of magnitude faster, making it ideal for large-scale and real-time applications.Code is available at https://github.com/facebookresearch/audioseal
Stay on Topic with Classifier-Free Guidance
Authors: Guillaume Sanchez, Alexander Spangher, Honglu Fan, Elad Levi, Stella Biderman
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Classifier-Free Guidance (CFG) has recently emerged in as a lightweight technique to encourage prompt-adherence in generations, yet has not yet been successfully applied to language modeling. In this work, we demonstrate across a wide array of benchmarks that CFG can be used broadly as an inference-time technique in pure language modeling. We show that CFG (1) improves the performance of Pythia, GPT-2 and LLaMA-family models across: Q&A, reasoning, code generation, and machine translation, achieving SOTA on LAMBADA with LLaMA-7B over PaLM-540B; (2) brings improvements equivalent to a model with twice the parameter-count; (3) can stack alongside other inference-time methods like Chain-of-Thought and Self-Consistency, yielding further improvements in difficult tasks; (4) can be used to increase the faithfulness and coherence of assistants in challenging form-driven and content-driven prompts: in human evaluations we show a 75% preference for using CFG over baseline.
How do Transformers Perform In-Context Autoregressive Learning ?
Authors: Michael Eli Sander, Raja Giryes, Taiji Suzuki, Mathieu Blondel, Gabriel Peyré
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Transformers have achieved state-of-the-art performance in language modeling tasks. However, the reasons behind their tremendous success are still unclear. In this paper, towards a better understanding, we train a Transformer model on a simple next token prediction task, where sequences are generated as a first-order autoregressive process $s_t+1 = W s_t$. We show how a trained Transformer predicts the next token by first learning $W$ in-context, then applying a prediction mapping. We call the resulting procedure <em>in-context autoregressive learning</em>. More precisely, focusing on commuting orthogonal matrices $W$, we first show that a trained one-layer linear Transformer implements one step of gradient descent for the minimization of an inner objective function, when considering augmented tokens. When the tokens are not augmented, we characterize the global minima of a one-layer diagonal linear multi-head Transformer. Importantly, we exhibit orthogonality between heads and show that positional encoding captures trigonometric relations in the data. On the experimental side, we consider the general case of non-commuting orthogonal matrices and generalize our theoretical findings.
Differentially Private Representation Learning via Image Captioning
Authors: Tom Sander, Yaodong Yu, Maziar Sanjabi, Alain Oliviero Durmus, Yi Ma, Kamalika Chaudhuri, Chuan Guo
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Differentially private (DP) machine learning is considered the gold-standard solution for training a model from sensitive data while still preserving privacy. However, a major barrier to achieving this ideal is its sub-optimal privacy-accuracy trade-off, which is particularly visible in DP representation learning. Specifically, it has been shown that under modest privacy budgets, most models learn representations that are not significantly better than hand-crafted features. In this work, we show that effective DP representation learning can be done via image captioning and scaling up to internet-scale multimodal datasets. Through a series of engineering tricks, we successfully train a DP image captioner (DP-Cap) on a 233M subset of LAION-2B from scratch using a reasonable amount of computation, and obtaining unprecedented high-quality image features that can be used in a variety of downstream vision and vision-language tasks. For example, under a privacy budget of $ɛ=8$ for the LAION dataset, a linear classifier trained on top of learned DP-Cap features attains $65.8%$ accuracy on ImageNet-1K, considerably improving the previous SOTA of $56.5%$. Our work challenges the prevailing sentiment that high-utility DP representation learning cannot be achieved by training from scratch.
Transformers, parallel computation, and logarithmic depth
Authors: Clayton Sanford, Daniel Hsu, Matus Telgarsky
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: We show that a constant number of self-attention layers can efficiently simulate—and be simulated by—a constant number of communication rounds of <em>Massively Parallel Computation</em>. As a consequence, we show that logarithmic-depth is sufficient for transformers to solve basic computational tasks that cannot be efficiently solved by several other neural sequence models and sub-quadratic transformer approximations. We thus establish parallelism as a key distinguishing property of transformers.
Promoting External and Internal Equities Under Ex-Ante/Ex-Post Metrics in Online Resource Allocation
Authors: Karthik Abinav Sankararaman, Aravind Srinivasan, Pan Xu
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: This paper proposes two different models for equitable resource allocation in online settings. The first one is called <em>external</em> equity promotion, where sequentially arriving agents are heterogeneous in their external attributes, namely how many resources they demand, which are drawn from a probability distribution (accessible to the algorithm). The focus is then to devise an allocation policy such that every requester can get a fair share of resources <em>proportional to their demands</em>, regardless of their arrival time. The second is called <em>internal</em> equity promotion, where arriving requesters can be treated homogeneously in external attributes (demands) but are heterogeneous in internal traits such as demographics. In particular, each requester can be identified as belonging to one or several groups, and an allocation of resources is regarded as equitable when every group of requesters can receive a fair share of resources proportional to the percentage of that group in the whole population. For both models above, we consider as the benchmark a clairvoyant optimal solution that has the privilege to access all random demand realizations in advance. We consider two equity metrics, namely <em>ex-post</em> and <em>ex-ante</em>, and discuss the challenges under the two metrics in detail. Specifically, we present two linear program (LP)-based policies for external equity promotion under ex-ante with independent demands, each achieving an <em>optimal</em> CR of $1/2$ with respect to the benchmark LP. For internal equity promotion, we present optimal policies under both ex-ante and ex-post metrics.
A Diffusion Model Framework for Unsupervised Neural Combinatorial Optimization
Authors: Sebastian Sanokowski, Sepp Hochreiter, Sebastian Lehner
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Learning to sample from intractable distributions over discrete sets without relying on corresponding training data is a central problem in a wide range of fields, including Combinatorial Optimization. Currently, popular deep learning-based approaches rely primarily on generative models that yield exact sample likelihoods. This work introduces a method that lifts this restriction and opens the possibility to employ highly expressive latent variable models like diffusion models. Our approach is conceptually based on a loss that upper bounds the reverse Kullback-Leibler divergence and evades the requirement of exact sample likelihoods. We experimentally validate our approach in data-free Combinatorial Optimization and demonstrate that our method achieves a new state-of-the-art on a wide range of benchmark problems.
Sparse and Structured Hopfield Networks
Authors: Saul José Rodrigues Dos Santos, Vlad Niculae, Daniel C Mcnamee, Andre Martins
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Modern Hopfield networks have enjoyed recent interest due to their connection to attention in transformers. Our paper provides a unified framework for sparse Hopfield networks by establishing a link with Fenchel-Young losses. The result is a new family of Hopfield-Fenchel-Young energies whose update rules are end-to-end differentiable sparse transformations. We reveal a connection between loss margins, sparsity, and exact memory retrieval. We further extend this framework to structured Hopfield networks via the SparseMAP transformation, which can retrieve pattern associations instead of a single pattern. Experiments on multiple instance learning and text rationalization demonstrate the usefulness of our approach.
Meta Evidential Transformer for Few-Shot Open-Set Recognition
Authors: Hitesh Sapkota, Krishna Prasad Neupane, Qi Yu
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Few-shot open-set recognition (FSOSR) aims to detect instances from unseen classes by utilizing a small set of labeled instances from closed-set classes. Accurately rejecting instances from open-set classes in the few-shot setting is fundamentally more challenging due to the weaker supervised signals resulting from fewer labels. Transformer-based few-shot methods exploit attention mapping to achieve a consistent representation. However, the softmax-generated attention map normalizes all the instances that assign unnecessary high attentive weights to those instances not close to the closed-set classes that negatively impact the detection performance. In addition, open-set samples that are similar to a certain closed-set class also pose a significant challenge to most existing FSOSR models. To address these challenges, we propose a novel Meta Evidential Transformer (MET) based FSOSR model that uses an evidential open-set loss to learn more compact closed-set class representations by effectively leveraging similar closed-set classes. MET further integrates an evidence-to-variance ratio to detect fundamentally challenging tasks and uses an evidence-guided cross-attention mechanism to better separate the difficult open-set samples. Experiments on real-world datasets demonstrate consistent improvement over existing competitive methods in unseen class recognition without deteriorating closed-set performance.
EvIL: Evolution Strategies for Generalisable Imitation Learning
Authors: Silvia Sapora, Gokul Swamy, Chris Lu, Yee Whye Teh, Jakob Nicolaus Foerster
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Often times in imitation learning (IL), the environment we collect expert demonstrations in and the environment we want to deploy our learned policy in aren’t exactly the same (e.g. demonstrations collected in simulation but deployment in the real world). Compared to policy-centric approaches to IL like behavioural cloning, reward-centric approaches like <em>inverse reinforcement learning</em> (IRL) often better replicate expert behaviour in new environments. This transfer is usually performed by optimising the recovered reward under the dynamics of the target environment. However, <em>(a)</em> we find that modern deep IL algorithms frequently recover rewards which induce policies far weaker than the expert, <em>even in the same environment the demonstrations were collected in</em>. Furthermore, <em>(b)</em> these rewards are often quite poorly shaped, necessitating extensive environment interaction to optimise effectively. We provide simple and scalable fixes to both of these concerns. For <em>(a)</em>, we find that <em>reward model ensembles</em> combined with a slightly different training objective significantly improves re-training and transfer performance. For <em>(b)</em>, we propose a novel <em>evolution-strategies</em> based method (EvIL) to optimise for a reward-shaping term that speeds up re-training in the target environment, closing a gap left open by the classical theory of IRL. On a suite of continuous control tasks, we are able to re-train policies in target (and source) environments more interaction-efficiently than prior work.